Confidence interval of is an interval corresponding to a specified confidence and including the true value. It can be used to describe the precision of a statistical quantity and quantify its uncertainty. Although the principle of maximum entropy (POME) has been used for a variety of applications in hydrology, the confidence intervals of the POME quantile estimators have not been available. In this study, the calculation formulas of asymptotic variances and confidence intervals of quantiles based on POME for Gamma, Pearson type 3 (P3) and Extreme value type 1 (EV1) distributions were derived. Monte Carlo Simulation experiments were performed to evaluate the performance of derived formulas for finite samples. Using four data sets for annual precipitation at the Weihe River basin in China, the derived formulas were applied for calculating the variances and confidence intervals of precipitation quantiles for different return periods and the results were compared with those of the methods of moments (MOM) and of maximum likelihood (ML) method. It is shown that POME yields the smallest standard errors and the narrowest confidence intervals of quantile estimators among the three methods, and can reduce the uncertainty of quantile estimators

Amorphous solid dispersions are considered a promising formulation strategy for the oral delivery of poorly soluble drugs. The limiting factor for the applicability of this approach is the physical (in)stability of the amorphous phase in solid samples. Minimizing the risk of reduced shelf life for a new drug by establishing a suitable excipient/polymer-type from first principles would be desirable to accelerate formulation development. Here we perform Molecular Dynamics simulations to determine properties of blends of eight different polymer-small molecule drug combinations for which stability data is available from a consistent set of literature data. We calculate thermodynamic factors (mixing energies) as well as mobilities (diffusion rates and roto-vibrational fluctuations). We find that either of the two factors, mobility and energetics, can determine the relative stability of the amorphous form for a given drug. Which factor is rate limiting depends on physico-chemical properties of the drug and the excipients/polymers. The methods outlined here can be readily employed for an in-silico pre-screening of different excipients for a given drug to establish a qualitative ranking of the expected relative stabilities, thereby accelerating and streamlining formulation development.

The properties of rubber are strongly influenced by the distribution of filler within the polymer matrix. Here we introduce a Monte Carlo-based morphology generator. The basic elements of our model are cubic cells, which, in the current version, can be either silica filler particles or rubber volume elements in adjustable proportion. The model allows the assignment of surface free energies to the particles according to whether a surface represents, for instance, 'naked' silica or silanised silica. The amount of silanisation is variable. We use a nearest-neighbour site-exchange Monte Carlo algorithm to generate filler morphologies, mimicking flocculation. Transmission electron micrographs (TEM) as well as small angle scattering (SAS) intensities can be calculated along the Monte Carlo trajectory. In this work we demonstrate the application of our morphology generator in terms of selected examples. We illustrate its potential as a tool for screening studies, relating interface tensions between the components to filler network structure as characterized by TEM and SAS.

Based on the geologic conditions of natural gas hydrate (NGH) accumulations in the Shenhu area, northern slope of the South China Sea, this paper used a method of combining reservoir stimulation technique (RST) with depressurization to investigate the conversion efficiency of marine NGH reservoirs in different intrinsic permeability and initial NGH saturation conditions, and analyze the influence of variably-stimulation effect on marine NGH conversion efficiency in different accumulation conditions, provided a reference scheme for improving the NGH conversion efficiency in the Shenhu area. In this work, we performed calculations for the variations in CH4 production rate and cumulative volume of CH4 in different initial NGH saturation, intrinsic permeability and stimulation effect conditions, variance analysis and range analysis methods were used to analyze the significance of these key factors and their interaction, and investigated the sensitivity of stimulation effect on NGH conversion efficiency, respectively. The simulation results showed that stimulation effect have a significant influence on NGH conversion efficiency, and the influence of interaction between these three factors were not obvious. Possibly most important, we clarified an optimum stimulation effect for higher NGH conversion efficiency under different accumulation conditions, especially in low-permeability and high-saturation, which corresponding stimulation effect were different.

In networked driving simulation, two or more human drivers participate interactively within a shared virtual environment. Thereby, typical applications of driving simulation can be extended to consider multi-driver scenarios, where a much closer approximation of reality with its unpredictability is achieved. However, the utilized network is typically prone to a considerable amount of message traffic. In addition to restricted system scalability, the resulting degradation of network performance leads to invalid simulation outcomes or unacceptable system behavior. High-level architecture (HLA) is an IEEE standard for networked simulation. Data distribution management (DDM) is one of the service groups provided by HLA standard. The aim of the DDM service is to reduce network traffic and to save effort required to process unnecessary received data. However, different approaches for current DDM implementations show major drawbacks in terms of utilization complexity, inefficiency, and yet added network overhead. This paper presents a concept of an interest manager that takes over the DDM functionality and avoids these drawbacks. Simulation data is exchanged between the participating driving simulators only when it is necessary according to the driving situations. The concept is validated by analyzing the network load of two driving maneuvers with and without the interest manager.

Single-stranded breaks (SSBs) are the most frequent DNA lesions threatening genomic integrity-understanding how DNA sensor proteins recognize certain SSB types is crucial for studies of the DNA repair pathways. During repair of damaged DNA the final SSB that is to be ligated contains a 5'-phosphorylated end. The present work employed molecular simulation (MD) of DNA with a phosphorylated break in solution to address multiple questions regarding the dynamics of the break site. How does the 5'-phosphate group behave before it initiates a connection with other biomolecules? What is the conformation of the SSB site when it is likely to be recognized by DNA repair factors once the DNA repair response is triggered? And how is the structure and dynamics of DNA affected by the presence of a break? For this purpose, a series of MD simulations of 20 base pair DNAs, each with either a pyrimidine-based or purine-based break, were completed at a combined length of over 20,000 ns simulation time and compared with intact DNA of the same sequence. An analysis of the DNA forms, translational and orientational helical parameters, local break site stiffness, bending angles, 5’-phosphate group orientation dynamics, and the effects of the protonation state of the break site phosphate group provides insights into the mechanism for the break site recognition.

The growing number of algorithmic decision-making environments, which blend machine and bounded human rationality, strengthen the need for a holistic performance assessment of such systems. Indeed, this combination amplifies the risk of local rationality, necessitating a robust evaluation framework. We propose a novel simulation-based model to quantify algorithmic interventions within organisational contexts, combining causal modelling and data science algorithms. To test our framework's viability, we present a case study based on a bike-share system focusing on inventory balancing through crowdsourced user actions. Utilising New York's Citi Bike service data, we highlight the frequent misalignment between incentives and their necessity. Our model examines the interaction dynamics between user and service provider rule-driven responses and algorithms predicting flow rates. This examination demonstrates why these dynamics are necessary for devising effective incentive policies. The study showcases how sophisticated machine learning models, with the ability to forecast underlying market demands unconstrained by historical supply issues, can cause imbalances that induce user behaviour, potentially spoiling plans without timely interventions. Our approach allows problems to surface during the design phase, potentially avoiding costly deployment errors in the joint performance of human and AI decision-makers.

Habitat fragmentation is often assumed to negatively impact species diversity because smaller, more isolated populations on smaller habitat patches are at a higher extinction risk. However, some empirical and theoretical studies suggest that landscapes with numerous small habitat patches may support higher species richness, although the circumstances remain elusive. We used an agent-based metacommunity model to investigate this and simulate landscapes of the same total area but diverse patch sizes. Our model, as generic and unbiased by specific assumptions as possible, aimed to explore which circumstances may be more conducive to supporting higher biodiversity. To this end, most parameters and behaviors were random. The model included generalized species traits, dispersal, and interactions to explore species richness dynamics in fragmented landscapes of distinct patch sizes. Our results show that landscapes with many small patches maintain higher species richness than those with fewer large patches. Also, the relationship between patch connectivity and species richness is more pronounced in landscapes with smaller patches. High connectivity in these landscapes may support species diversity by preventing local extinctions and facilitating recolonization. In contrast, connectivity is less significant in large-patch landscapes, where generalist species dominate. The findings highlight the complex interplay between patch size quality, connectivity, species traits, and diverse interactions among species in determining species richness. We suggest the patterns produced by the model represent null predictions and may be useful as a reference for a diversity of more specialized questions and predictions. These insights may also have specific implications for conservation strategies, suggesting that maintaining a mosaic of small, well-connected patches could enhance biodiversity in fragmented landscapes.

In the context of enhanced decision-making related to Industry 4.0 and 5.0, this work examines the first step to implement a Digital Twin (DT) in a discrete manufacturing firm. The DT will be required to be adequately integrated with the information systems, especially the Manufacturing Execution System (MES), because the virtual counterpart of the DT itself, a Discrete Event Simulator (DES) model, will exploit MES data for the validation and the monitoring. The objective of the DT is to enhance the decision-making related to production planning, in particular, achieving better on-time delivery to customers. Therefore, the DT intends to depict material flows within the production department to enhance monitoring and control, facilitating the prompt identification of deviations from the plan, and supporting the decision-makers, enabling a more responsive and informed management of delay alerts. The first goal to achieve the DT implementation and integration is to establish a conceptual framework that improves material flow data synchronization. A conceptual integration and implementation framework for the DT will be proposed and discussed, underlying the technical decisions chosen to achieve the functional and integration requirements.

Deflectometry is a key component in the precise measurement of specular (mirrored) surfaces, however traditional methods often lack an end-to-end approach that performs 3D reconstruction in a single shot with high accuracy and generalizes across different free-form surfaces. This paper introduces a novel deep neural network (DNN)-based approach for end-to-end 3D reconstruction of free-form specular surfaces using single-shot deflectometry. Our proposed network, VUDNet, innovatively combines discriminative and generative components to accurately interpret orthogonal fringe patterns and generate high-fidelity 3D surface reconstructions. By leveraging a hybrid architecture integrating a Variational Autoencoder (VAE) and a modified U-Net, VUDNet excels in both depth estimation and detail refinement, achieving superior performance in challenging environments. Extensive data simulation using Blender, leading to a dataset which we are making available, ensures robust training and enables the network to generalize across diverse scenarios. Experimental results demonstrate the strong performance of VUDNet, setting a new standard for 3D surface reconstruction. The implementation of VUDNet is available on GitHub at https://github.com/hadious/VUDNet.

Robotic systems are crucial in modern manufacturing. Complex assembly tasks require the collaboration of multiple robots. Their orchestration is challenging due to tight tolerances and precision requirements. In this work we set up two Franka Panda robots performing a peg-in-hole insertion task. We structure the control system hierarchically, planning the robots’s trajectories feedback-based with a central policy trained with reinforcement learning. These trajectories are executed by a low-level impedance controller on each robot. To enhance training convergence, we use reverse curriculum learning incorporating domain randomization, varying initial configurations of the task. After training, we test the system in a simulation, studying the impact of curriculum parameters on emerging process characteristics like process time and variance. Finally, we transfer the trained model to a real-world setup, comparing results with simulation as well as classical path planning and control approaches.

Muon tomography leverages cosmic muons’ exceptional penetration capabilities to reconstruct detailed tomographic images via multiple Coulomb scattering interactions, making it invaluable for detecting High-Z materials critical to homeland security. This study introduces the Slope Intercept (SI) algorithm, a novel approach for rapid and precise tomographic image reconstruction. Implemented using Geant4 simulations in a standard-sized container tomography station, SI demonstrates superior performance in speed and simplicity compared to traditional methods. While the imaging results of SI and the Point of Closest Approach (POCA) algorithm are nearly identical, the SI algorithm is simpler to implement, requires shorter CPU time, and exhibits a smaller margin of error. Its computational efficiency and simplicity make it a robust alternative to the POCA algorithm. These findings highlight SI’s suitability for applications demanding robust imaging and efficient data processing, which are crucial for advancing security measures and scientific research.

The dynamic response of the shed-tunnel structure under rockfall impact attracts much attention in recent years. However, the research on the dynamic response of the shed-tunnel structure under rockfall impact mostly focuses on the rockfall single impact, while in practical engineering, the shed-tunnel structure often encounters the rockfall repeated impacts during its service life. Therefore, this research focuses on exploring the dynamic response characteristics of the shed-tunnel structure under the rockfall repeated impacts. First of all, based on the model test of the shed-tunnel under rockfall impact as a reference, the FEM (Finite Element Method)-SPH (Smoothed Particle Hydrodynamics) coupling numerical calculation model is established based on ANSYS/LS-DYNA finite element code. The numerical simulation of the dynamic response of the shed-tunnel structure under rockfall impact is realized, and the rationality of the model is verified. Then, with this model and the full restart technology of LS-DYNA code, the effects of four factors, e.g. rockfall mass, rockfall impact velocity, rockfall impact angle and rockfall shape, on the impact force and impact depth of the buffer layer, the maximum plastic strain and axial force of the rebar, the shed roof vertical displacement and the shed-tunnel plastic strain are studied. These results show that the cumulative deformation and damage of the shed-tunnel structure caused by the rockfall repeated impacts play an important role in the destruction of the shed-tunnel structure, and the special attention should be paid to this issue.

Every country has a different philosophy of education, which in contemporary China manifests itself in ideological guidance at all levels and in all types of schools. China's education has entered a new era, but ideological and political education is still needed in schools and colleges, and its core interest is to cultivate newcomers of the times who can take on the important task of national rejuvenation; in other words, the education sector has to ensure the sustainability of the cultivation of talents as well as the sustainability of socialist development. In this context, ideological and political education has initiated a triple spatial shift, i.e., from classroom space to cyberspace, from physical space to virtual space, and from campus space to social space. The triple spatial transfer has a profound historical logic, which is the inevitable process of the continuous development of ideological and political education itself, and the historical convergence of the Party's proposition, people's expectation and social development in this era. The requirements of the external situation, the needs of internal development, and the needs of the political task constitute the direct reality of the triple spatial transformation. The future direction of the spatial transformation of ideological and political education will be reflected in the intersection of subject and space, the collision of individuality and commonality, and the fusion of unity and diversity.

The real-time input of ground motions can effectively assess earthquake disasters in building structures. In this study, we proposed a nearby real-time simulation method that can be applied to assess regional earthquake disasters using structural monitoring recordings based on an urban earthquake simulation system. Real-time accelerations recorded during the 5.1 magnitude Tangshan earthquake were used to update and modify the computing models. El Centro waves were calibrated to 400 cm/s2 for structural seismic resilience analyses. The results indicated that approximately 70% of the structural functions were lost during rare earthquakes. Regional numerical models of 216 buildings were constructed and timeously updated using the Geographic Information System and measured data. The inputting ground motions recorded in the 5.1 magnitude Tangshan earthquake and typical El Centro waves were selected to analyze the structural seismic response, in which the damage indexes were computed, and the damage predictions of regional 216 buildings were also simulated in different levels of earthquakes by being combined with the simplified principles of structural damage estimation. Finally, the evaluation results were visualized in three dimensions using ParaView software. The simulated results of earthquake disasters at an urban scale will promote the prediction abilities of local earthquake administration agencies and have considerable potential to provide essential information for emergency responses and regional disaster mitigation.

Recent studies have shown correlations between the microbiota's composition and various health conditions. Machine learning (ML) techniques are essential for analyzing complex biological data, particularly in microbiome research. ML methods help analyze large datasets to uncover microbiota patterns and understand how these patterns affect human health. This study introduces a novel approach combining statistical physics with the Monte Carlo (MC) methods to characterize bacterial species in the human microbiota. We assess the significance of bacterial species in different age groups by using notions of statistical distances to evaluate species prevalence and abundance across age groups and employing MC simulations based on statistical mechanics principles. Our findings show that the microbiota composition experiences a significant transition from early childhood to adulthood. Species such as Bifidobacterium breve and Veillonella parvula decrease with age, while others like Agathobaculum butyriciproducens and Eubacterium rectale increase. Additionally, low-prevalence species may hold significant importance in characterizing age groups. Finally, we propose an overall species ranking by integrating the methods proposed here in a multicriteria classification strategy. Our research provides a comprehensive tool for microbiota analysis using statistical notions, ML techniques, and MC simulations.

Monitoring and protecting flowing watercourses is a complex and challenging task that requires the collaboration and coordination of various stakeholders such as governments, industries, farmers, consumers and environmental groups. The study of the dynamics of the concentration of polluting factors and especially the concentrations of heavy metals and highlighting a seasonal variation is a necessary element from this point of view. In this article, we present the results of our analyzes carried out in two measurement campaigns executed in 10 monitoring points along the Danube River, between Braila city and Isaccea city in the pre-deltaic area, during the summer season and autumn season 2022. The importance of this area is given by the fact that the Dan-ube Delta is part of the UNESCO heritage and the monitoring of polluting factors is a necessity in the desire to protect this area. The data measured during the July and August 2022 campaign co-vers a wide range of chemical species: Phosphate, CCO, CBO5, NH4+, N-NO2, N-NO3-, N-Total, P-PO4 3-, SO42-, Cl-, phenols, as well as metals with a harmful effect: Aluminum, Arsenic, Cad-mium, Chromium, Iron. The study includes an evaluation based on the statistical approach of the results to highlight the significant correlations and differences identified between the two data sets. Next, to highlight the obtained results, a numerical model was considered using HEC-RAS and ESRI ArcGis applications in a two-dimensional unsteady flow model in order to get the non-homogenous concentrations’distributions in the studied area. These two-dimensional models have been less studied in the specialized literature. In this way, interesting results could be ob-tained and prediction methods regarding the dynamics of metal concentrations could be struc-tured. The data obtained was used for the terrain model from the USGS service and the flows of the Danube and its two tributaries were simulated using the data provided by the national ser-vices. In this work, we present the results obtained for the dynamics of the concentrations of the metals Aluminum, Arsenic, Cadmium, Chromium and Iron and the evaluation of the specific ab-sorption coefficients for the explanation and correlation with the results of the measurements. The study is part of a more complex project in which the spatio-temporal distribution of the polluting factors in the water was evaluated and the habitats in the study area were inventoried - especially those of community interest. the aspects related to the influence of the distribution of polluting factors on the state of health will be the subject of another article.

An H-bond involves the sharing of a hydrogen atom between an electronegative atom to which it is covalently bound (the donor) and another electronegative atom serving as an electron acceptor. Such bonds represent a critically important geometrical force in biological macromolecules and, as such, have been characterized extensively. H-bond formation invariably leads to a weakening within the acceptor moiety due to the pulling exerted by the donor hydrogen. This phenomenon can be compared to a spring connecting two masses; pulling one mass stretches the spring, similarly affecting the bond between the two masses. Herein, we describe the opposite phenomenon when investigating the energetics of the C-H...O=C bond. This bond underpins the most prevalent protein transmembrane dimerization motif (GxxxG) in which a glycine C-H on one helix forms a hydrogen bond with a carbonyl in a nearby helix. We use isotope-edited FT-IR spectroscopy and corroborating computational approaches to demonstrate a surprising strengthening of the acceptor C=O bond upon binding with the glycine C-H. We show that electronic factors associated with the C-H bond strengthen the C=O oscillator by increasing the s-character of the -bond, lowering the hyperconjugative disruption of the -bond. In addition, a reduction of the acceptor C=O bond’s polarity is observed upon the formation of the C-H...O=C bond. Our findings challenge the conventional understanding of H-bond dynamics and provide new insights into the structural stability of inter-helical protein interactions.

The production of Moringa oleifera capsules has emerged as a promising agricultural activity in Mexico, driven by the plant’s well-documented health and nutritional benefits. In response, farmers have begun producing Moringa oleifera as a dietary supplement, using artisanal methods with minimal production controls. This study aimed to estimate the processing times of the Moringa oleifera production system using simulation modeling with Arena® software, and to evaluate the economic feasibility of capsule production. Methodologically, it was approached as a case study in the state of Veracruz, processing times were estimated through systematic sampling and modeled with Arena simulation software. Three simulation scenarios were considered to select a technically and economically viable alternative for agricultural producers: one with a 200-capsule encapsulator (1E200C), another with two 200-capsule encapsulators (2E200C) and a third with an 800-capsule encapsulator (1E800C). For the initial diagnosis a research stay was conducted for 180 days, and the production capacity was set at 24,000 capsules due to raw material limitations. Results indicated that the 1E800C scenario reduced processing time by 60% compared to the1E200C scenario, and by 35% compared to the 2E200C scenario. Additionally, the 1E800C model required only 2 days (16 hours) of work, while the 2E200C required 4 days (32 hours), and the 1E200C required 7 days (56 hours). In terms of production costs per unit of 90 capsules, the 1E200C was 3.93 USD the 2E200C 3.64 USD and the 1E800C 3.45 USD The study concluded that due to raw material limitations, the company can produce 12,800 units per year of 90 capsules. It is recommended to adopt the 1E800C encapsulator, which would lower overall production costs by 12.23%, representing 0.48 USD per unit produced, resulting in an additional profit of 6,150.50 USD Over a five-year evaluation period, the benefit-cost ratio was 5.03, the NPV was 922,370.11 and the IRR was 42.09%, indicating that this type of agribusiness in Mexico is both technically and economically feasible.

Accurate traffic simulation models play a crucial role in developing intelligent transport systems that offer timely traffic information to users and efficient traffic management. However, calibrating these models to represent real-world traffic conditions accurately poses a significant challenge due to the dynamic nature of traffic flow and the limitations of traditional calibration methods. This article introduces a machine learning-based approach to calibrate macroscopic traffic simulation models using real-time traffic video stream data. By leveraging computer vision technologies to extract key traffic parameters from video streams, the approach demonstrated a notable improvement in aligning the generated data from the calibrated simulation model with car sensor data, achieving an average improvement of over 50% compared to the uncalibrated macroscopic model. Moreover, there was a substantial reduction in data drift for the machine learning model integrated into the virtual transport space using vehicle-to-everything technology, resulting in a more than fourfold decrease in the average absolute error of the model.

Wind turbines (WTs) are clean a renewable energy source that has been growing in popularity in recent years. Gearboxes are complex, expensive, and critical components of WT, which are subject to high maintenance costs and several stresses including high loads and harsh environments that can lead to failure with significant downtime and financial losses. This paper focuses on the development of a digital twin-based approach for the modelling and simulation of WT gearboxes with the aim to improve their design, diagnosis, operation, and maintenance by providing insights into their behavior under different operating conditions. Pow-erful commercial computer-aided design tools (CAD) and computer-aided engineering (CAE) software are embedded into a computationally efficient multi-objective optimization framework (modeFrontier) with the aim of maximizing the power density, compactness, performance, and reliability of the WT gearbox. This entails minimizing its weight, volume, and maximum stresses and strains achieved without compromising efficiency. The 3D CAD model of the WT gearbox is carried out using SolidWorks, the Finite Element Analysis (FEA) to obtain the stresses and strains fields are modelled using Ansys Workbench, while the multibody kinematic and dynamic system is analyzed using MSC Adams. The method has been successfully applied to different case studies to find the optimal design and analyze the performance of the WT gearboxes. Simulation results can be used to identify potential failure modes and optimize gearbox design to improve performance, extend service life and relia-bility, thereby ensuring proper operation over its lifetime and reducing maintenance costs.

Supramolecular solvent (SUPRAS) has received increasing interest as an innovative, efficient, and green solvent for the effective extraction and separation of bioactive compounds from natural resources. However, studies on the use of SUPRAS for the extraction of phenolic components from plants, which are highly valued in food products due to their excellent antioxidant capacity, are still lacking. The present study developed a green ultrasound-assisted and efficient SU-PRAS method to simultaneously determine three phenolic acids in Prunella vulgaris by high-performance liquid chromatography (HPLC) and the experimental parameters were optimized in detail. The efficiency and antioxidant properties of the phenolic compounds obtained by different extraction methods were also compared. Under the optimal conditions, the extraction efficiency of SUPRAS, prepared with octanoic acid reverse micelles dispersed in ethanol-water, was substantially higher than conventional organic reagents. Moreover, this SUPRAS method also showed more significant antioxidant capacities. The confocal laser scanning microscopy (CLSM) images presented the spherical droplet structure of SUPRAS (A well-defined circle), which coincided with the position of the fluorescence position of phenolic acids. The phenolic acids were encapsulated in the vesicles by the SUPRAS droplets, which indicated the efficient extraction capacities of SUPRAS for the target compounds. Finally, combined with the CLSM method, the mechanism of the proposed method was further clarified, and the superior extraction performance of SUPRAS was theoretically demonstrated through molecular dynamics simulations. In comparison with conventional methods, the higher extraction efficiency of SUPRAS can be illustrated by the larger solvent contact surface area, more types of hydrogen bonds between extractants and supramolecular solvents, and stronger and more stable interaction forces. The results of the theoretical studies are in rational agreement with the experimental outcome.

The assessment of existing bridges constitutes a serious challenge for the researchers since their safety evaluation is a complex task due to several sources of uncertainty affecting the parameters identified in the knowledge process. In particular, a high level of uncertainties may arise in the case of prestressing systems requiring special investigation strategies and experimental technologies. The paper aims to investigate how the knowledge uncertainties influence the safety assessment of existing post-tensioned bridges. The semi-probabilistic approach is used, and uncertainties related to the knowledge process are described considering the number of tests, the confidence level assumed for the estimation of the problem parameters, and the measurement errors of in-situ tests. Results concerning a typical post-tensioned bridge are reported and the variability of the outcomes is discussed and compared with a reference case of “perfect knowledge”. The main results of the study confirm the general robustness of the semi-probabilistic Eurocodes safety format and provide an overview of dispersion due to different choices about the number of tests and confidence level. The measurement errors may lead to significant under-estimation of the computed structural capacity with respect to the reference one.

This work presents a heat transfer and boiling model that computes the evolution of the temperature field in a representative steel workpiece quenched from 850 or 930°C by immersion in water flowing at average velocities of 0.2 or 0.6 m/s, respectively. Under these conditions, all three boiling regimes were present during cooling: stable vapor film, nucleate boiling, and single-phase convection. The model was based on the numerical solution of the heat conduction equation coupled to the solution of the energy and momentum equations for water. The mixture phase approach was adopted using the Lee model to compute the rates of water evaporation-condensation. Heat flux at the wall was calculated for all regimes using a single semi-mechanistic model. Therefore, evolution of boiling regimes at every position on the wall surface was automatically determined. Predictions were validated using laboratory results, namely: a) Videorecording the upward motion of the wetting front along the workpiece wall surface, and b) cooling curves obtained with embedded thermocouples in the steel probe. Wall heat flux calculations were used to determine the importance of the simultaneous presence of all three boiling regimes on the heat flux distribution. It was found that this simultaneous presence leads to high heat flux variations that should be avoided in production lines.

Salmonella causes various type of disease worldwide with a remarkable pace. Salmonella enteric serotype typhi (S. typhi), a gram-negative bacterium (only cause disease in man) is the mainly causative agent of Typhoid fever. Typhoid fever is most common in poor and unprivileged developing countries of Asia and Africa. One of the major components of virulence factors produced during salmonella infection is Lipid A, which acts as a potent human immuno-modulator bacterial endotoxin. Regulation of Lipid A biosynthetic pathway occurs at second step, catalyzed by LpxC, a Zn2+ dependent metalloamidase. Systematic Screening of a pool of drug datasets like natural products library from Zinc database, Asinex database, Thiophene analogues fruitfully provided us 3 potent lead molecules s1_dl_mseq2, s1_ll_mseq2, and s2_ll_mseq8 which actively binds with LpxC enzyme and could be developed into sound inhibitors of LpxC enzyme after the application of drug development and processing strategies. Wet lab experimentation is required to validate these results for further use.

The concrete sector is known for its significant contribution to the CO2 emissions. There are two main contributing factors for this situation: the large amount of concrete consumed per year on the planet and the high CO2 released from Portland cement manufacture, the key binding agent in concrete. To face the consequent sustainability issues, diverse strategies have been explored on the carbon capture and storage potential of cementitious materials. This paper addresses the potential of storing CO2 in concrete during the curing stage, applied to the precast Portuguese industry. To this purpose, it was assumed that CO2 will become a waste that will require an outlet in the future, considering that carbon capture will become mandatory in many industries. This work concluded that the net benefit in terms of carbon retention is positive for the process of storing carbon in concrete during the curing stage. More specifically, it was demonstrated that the additional emissions from the introduction of this new operation are only 10% of the stored amount, returning a storage potential of 76 000 tonnes of CO2 yearly. Moreover, the overall net reduction in the concrete life cycle averages 9.4% and 8.8% for precast elements and only non-structural elements, respectively. When a low cement dosage strategy is coupled with carbonation curing technology, the overall carbon net reduction is estimated to be 45%.

To investigate the variation patterns of spectral characteristics of main branches in fruit trees due to uneven distribution of growth, pruning, and fruit quality, as well as to determine the optimal fruit vi-bration harvesting, a vibration differential model of tree branches was constructed using the concen-trated mass method. A three-dimensional model of the fruit tree was built using finite element software. The spectral characteristics of each branch were obtained using the linear sweep frequency method. The method of changing the mass of each branch was employed to simulate the variation in branch mass. The frequency of occurrence, mean acceleration, and coefficient of variation of the inherent frequencies were used as evaluation indicators. The results revealed that when the vibration frequency of the fruit tree was at the peak frequency in the tree trunk spectrum, the frequency of occurrence and mean accel-eration were optimal. And the coefficient of variation of branch acceleration was less than 1, indicating a moderate dispersion. Additionally, reducing the branch mass resulted in an increase in the peak fre-quency of the tree trunk spectrum. Therefore, the growth, pruning, and uneven distribution of the branches in fruit trees can alter the spectral characteristics. When harvesting fruit by vibration, selecting the peak frequency in the trunk vibration spectrum as the excitation force frequency yields the best fruit detachment.

The effects of the coolant pulsation and the film cooling with the plasma aerodynamic actuation (PAA) could be herein explored via large eddy simulations. The electrohydrodynamic force derived from the PAA was solved through the phenomenological plasma model. The Strouhal number of the sinusoidal coolant pulsation and the averaged pulsation blowing ratio were 0.25 and 1.0, respectively. Comprehensive analyses were carried out on the time-averaged flow fields, and the results revealed that the pulsed cooling jet might cause a deeper penetration into the crossflow, and this phenomenon could be remarkably mitigated by the downward force of the PAA. Furthermore, because of the coolant pulsation, the counter rotating vortex pair (CRVP) expanded to lifted off the wall less well, and the PAA lessened the negative lift-off impact and entrapment from the CRVP. Then, the spatial-temporal development of the coherent structures was figured out by the alterations of the centerline temperature, reflecting formation of the intermittent coherent structures rather than hairpin vortices due to the coolant pulsation, and their size and upcast behaviors were reduced by the PAA. Consequently, there was a basic suppression of the turbulent mixing of the cooling fluid with the crossflow. Finally, the three-dimensional streamlines confirmed that the coherent structure dynamic behaviors were significantly regulated by the PAA for alleviating the adverse influences of the coolant pulsation. In summary, through controlling how the dominating coherent structures evolve throughout time and space, the PAA can effectively increase the pulsed film cooling efficiency.

Recently, the Third Generation Partnership Project (3GPP) introduced the New Radio (NR) technology for Vehicle-to-everything (V2X) communication to enable delay-sensitive and bandwidth-hungry applications in vehicular communication. The NR system is strategically crafted to complement the existing Long Term Evolution (LTE) Cellular-Vehicle-to-Everything (C-V2X) infrastructure, particularly to support advanced services such as the operation of automated vehicles. It is widely anticipated that the 5th generation (5G) NR system will surpass LTE C-V2X in terms of achieving superior performance in scenarios characterized by high throughput, low latency, and enhanced reliability, especially in the context of congested traffic conditions and a diverse range of vehicular applications. This article will provide a comprehensive literature review on vehicular communications from Dedicated Short Range Communication (DSRC) to NR V2X. Subsequently, it delves into a detailed examination of the challenges and opportunities inherent in NR V2X technology. Finally, we proceed to elucidate the process of creating and analyzing an open-source 5G NR V2X module in network simulation-3 (ns-3) and then demonstrate the NR V2X performance in terms of different key performance indicators implemented through diverse operational scenarios.

Disassembly is a pivotal technology to enable the circularity of electric vehicle batteries by applying circular economy strategies that extend the life cycle of their components, like remanufacturing and repurposing, or by using efficient recycling to reintegrate the gained materials in producing new battery systems. This paper aims to develop a multi-method self-configuring simulation model for investigating disassembly scenarios while considering the battery design as well as the configuration and layout of the disassembly station. We demonstrate the developed model in a case study using a battery of Mercedes-Benz and the automated disassembly station of the project DeMoBat at Fraunhofer IPA. Furthermore, we introduce two disassembly scenarios, the component-oriented and the accessibility-oriented disassembly, and compare them using the simulation model to determine several indicators, such as the frequency of tool change, the number and distribution of robot routes, the tool utilization, and the disassembly time.

Exposure to quasi-electrostatic field induced currents is a hazard of live-line transmission work. These steady-state induced currents are typically less than 1 mA, and their sensory effects range from imperceptible to painful depending on the person and conditions such as contact area and duration. Permanent injury from these currents is unlikely but they can distract workers, increasing the risk of injury from falls or other dangers. Identifying contact current severity and training workers can help reduce risk of accidents. Measuring induced currents along a climbing route is time consuming and simulation is challenging because of geometric complexity of the worker, transmission structure, conductor bundles, and electric fields in the climbing space. This research explores calculation of worker contact current using a recently developed adaptation of the charge simulation method. The method uses Fourier principles to improve computational efficiency when explicitly modeling all bundle subconductors. The research also examines reasonable simplifications for modeling lattice structures and human geometry. Calculated results compare well to measured currents for a worker climbing a 400 kV lattice structure. This indicates the method is a practical option for calculating the severity of steady-state contact currents. A simple calculation is suggested for estimating these currents.

A clinical simulation web-based program, known as FIRST2ACT (Feedback Incorporating Review and Simulation Techniques to Act on Clinical Trends) is designed to increase the efficacy of cli-nicians’ actions in the recognition and immediate response to a patient’s deterioration. This study, which was nested in a larger mixed method project, used ten focus groups (n=65) of graduate, enrolled, registered nurses, Associate Nurse Unit Managers, and general manag-ers/educators/coordinators from four different institutions to investigate whether nurses felt their practice was influenced by participating in either a face-to-face or web-based simulation educa-tional programme about patient deterioration. Results indicate individuals who were less ‘tech-savvy’ appreciated the flexibility of web-based learning, which increased their confidence. Face-to-face students appreciated self-reflection through performance evaluation. While face-to-face simulations were unable to completely duplicate symptoms, they did show nurses' adaptability. Both interventions enhanced clinical practice by improving documentation and re-plies while also boosting confidence and competence. Web learners initially experienced tech-related anxiety, which gradually subsided, demonstrating healthcare professionals' resilience to new learning approaches. Overall, the study highlighted the advantages and challenges of web-based and face-to-face education in clinical practice, emphasising the importance of adapta-bility and reflective learning for healthcare professionals. Further exploration of specific topics is required to improve practice, encourage knowledge sharing among colleagues, and improve early detection of patient deterioration.

The objective of this study was to apply simulation and computational intelligence techniques using artificial intelligence and genetic algorithm for economic and environmental optimization of the reverse network (manufacturers, waste managers and recyclers in São Paulo, Brazil) of waste electrical and electronic equipment (WEEE) to promote circular economy. For the economic evaluation, the reduction of: fuel, drivers, insurance, depreciation, maintenance and charges was considered and for the environmental evaluation, the environmental impact was measured in the abiotic, biotic, water, land, air and greenhouse gases compartments. It is concluded that the optimized structure of the WEEE reverse chain for São Paulo, Brazil reduced the number of collections, making the most of the cubage. It also generated economic and environmental gains, contributing to the strategic actions of the circular economy. Thus, the proposed simulation allows replication in organizational practice, mainly to meet the 2030 agenda on reducing the carbon footprint generated in transport in large cities. Thus, this study can guide companies on structuring the reverse WEEE chain in São Paulo, Brazil for economic and environmental optimization, a relevant aspect considering the exponential generation of WEEE, requiring the implementation of the national solid waste policy, and subsequently the signature of the electronics sector agreement in São Paulo.

In the field of robotics education, introductory courses would ideally utilize heavy industrial arms for hands-on learning. This would provide students with valuable experience in joint programming, which involves direct control of each joint motor in the arm to accomplish desired path planning and differential movements. This practice requires consideration of the physical dynamics of the arm. However, the use of heavy industrial arms has several drawbacks. They are large and expensive, require specialized maintenance, can pose safety risks, and they typically do not allow for direct control of the joint motors. One solution is to use a small, lightweight, toy-like arm. While these are cost-effective and provide direct access to the joint motors without posing safety risks, their lightweight construction means they exhibit minimal dynamic behavior, which limits their educational value. Another solution involves a robotic arm simulator that uses a virtual arm. However, a virtual arm doesn't offer the same level of hands-on engagement and excitement as a physical arm. We propose a hybrid solution that combines a small physical arm with a virtual arm. This approach provides students with the experience of working with an industrial arm, but without the associated difficulties. We demonstrate how this approach successfully improved the completion rate of joint programming assignments, offering a promising solution for practical robotics education.

In this work we explore the utilization of plasmonic resonance (PR) in silver nanowires to enhance the performance of organic solar cells. Plasmonic resonance is a phenomenon in which nanoscale conductive materials exhibit oscillation of conduction electrons, resulting in the creation of an electric field. Enhancing light absorption is crucial for improving organic solar cell efficiency and incorporating metallic nanostructures to induce surface plasmon resonance (SPR) shows promise in achieving this goal. We discuss the two key mechanisms of plasmonic effects: far-field scattering and near-field resonance modes. Far-field scattering extends the optical path of incident light, while near-field plasmonic effects involve localized surface plasmon resonance (LSPR) and plasmonic cavity modes, enhancing absorption by strengthening electric fields near the nanostructures. Silver nanowires are the focus of this study, and finite-difference time-domain (FDTD) simulation software is used to investigate their plasmonic resonance behavior in a ZnO/Silver nanowires/ZnO (ZAZ) electrode structure. The simulations reveal the dominance of LSPR in this configuration, with intense electric fields inside the nanowire and propagation into the surrounding medium, offering opportunities for enhanced light absorption in the organic solar cell's active layer.

This work proposes a methodological approach applied to ephemeral gravel-bed streams to verify the change in the magnitude and frequency of hydrological events affecting the morphological dynamics and sediment budget in this type of channel. For the case study the Azohía Rambla, located in southeastern Spain, was chosen, emphasizing the research on two reference riverbed sections (RCRs): an upper one, with a predominance of erosion, and a middle one, where processes of incision, transport, and deposition converge. First, this approach focuses on relationships between peak discharges and sediment budgets during the period 2018 to 2022. For this purpose, water level measurements from pressure sensors, a One-Dimensional Hydrodynamic model, and findings from comparative analyses of high-resolution differential digital elevation models (HRDEM of Difference - HRDoD) based on SfM-MVS and LiDAR datasets were used. In a second phase the GeoWEPP model was applied to the period 1996-2022 in order to simulate runoff and sediment yield at the event scale for the watersheds draining into both RCRs. During the calibration phase a sensitivity analysis was carried out to detect the most influential parameters in the model and to confirm its capacity to simulate peak flow and sediment delivery in the area described above. Values of NS (Nash-Sutcliffe efficiency) and PBIAS (percent bias) equal to 0.86 and 7.81%, respectively, were found in the calibration period, while these indices were 0.81 and -4.1% in the validation period. Finally, different event class patterns (ECPs) were established for the monitoring period (2018-2022), according to flow stage and morphological channel adjustments (overtopping, bankfull and sub-bankfull, and half-sub-bankfull), and then retrospectively extrapolated to stages of the prior simulated period (1996-2018) from their typical sequences (PECPs). The results revealed a significant increase in the number of events and PECPs leading to lower bed incision rates and higher vertical accretion, which denotes a progressive increase in bed armoring and bank erosion processes.

China is rich in coal resources under water bodies. However, for a long time, the safety prediction of high-intensity mining under water bodies is one of the problems encountered by the coal industry. It is of great significance to realize safe mining under water bodies, improve the recovery rate of coal resources and protect reservoir resources. Therefore, this article takes the No. 5 coal seam and No. 11 mining area of Wangwa Coal Mine as the research object, and integrates physical simulation, numerical simulation, theoretical analysis and other methods to study the development height of water-conducting fracture zones in fully mechanized top coal caving mining. Solid-liquid coupling physical simulation test reveals the failure characteristics of overlying strata in goaf and the seepage law of reservoir water under the influence of mining. By comparing the monitoring data of borehole leakage, the measured data obtained by borehole peeping with the height data of water-conducting fracture zone obtained by the traditional empirical formula of three-under standard, the error between the two is as high as -29.39 %. In this case, the variance correction coefficient is used to correct the empirical formula, and on this basis, in order to effectively protect the surface water dam and water body, the mining height of coal seam in the working face with limited height mining is inversely derived. The research results provide a basis for the safety prediction of high-intensity mining under the reservoir dam in the ecologically fragile areas of western China and provide a scientific guarantee for the formulation of safety measures under such conditions.

Autonomous vehicles (AVs) may not only reduce parking demand, but also free up on-street parking spaces. From the perspective of bus priority, converting on-street parking lots into dedicated bus lanes can both ensure bus priority and accommodate non-bus traffic, helping to reduce congestion and pollution. In order to study the impact of conversion of on-street parking lots to bus lanes on traffic flow, a microscopic simulation framework based on VISSIM is proposed in this paper. Data was collected using the floating car method and video recording method to quantify the factors affecting traffic flow due to the conversion of on-street parking. The VISSIM simulation model was then calibrated. According to the proportion of the on-street parking lots into a bus lane, the on-street parking lots conversion simulation model of different scenarios was established, and the influence of different on-street parking lots conversion ratio on traffic efficiency and pollution emission was quantitatively analyzed. Finally, the optimization method based on bus lane network connectivity is discussed. The results indicate that: When the on-street parking lots conversion ratio is approximately 100%, bus speed increases by 21.03%, bus delays decrease by 14.27%, and bus parking instances decrease by 11.31%. Total emissions are negatively correlated with vehicle speed. As the conversion rate of on-street parking increases, the emissions of road segments and the entire road network gradually decrease. At a conversion ratio of 100%, the average total emissions for road segments have the highest reduction rate, decreasing by 4.12%. At a conversion ratio of 50%, the average emission total for the road network shows the largest reduction, falling by 2.88%.

The goal of this lab is to look at how the characteristics of cementitious materials are affected by bending loads combined with dry and wet cycles of sulfate. In this paper, three sets of specimens with different water–cement ratios were designed. This study applied 20% and 40% of the ultimate bending load as a continuous bending load to the cementitious material specimens for a sulfate erosion test. It was discovered that the specimens' porosity, flexural strength, and compressive strength all tended to improve initially before declining as the cementitious material was degraded in the sulfate solution aged. The flexural strength of the cementitious materials declined as the bending load increased, and their internal sulfate ion concentration rose. A transport model of sulfate ions in cementitious materials under the coupling effect of bending load and sulfate erosion was created by combining the improved version of Fick’s second law and chemical reaction kinetics. The simulation results show that the ion transport properties of sulfate ions in cementitious materials are in accordance with the experimental laws. These research results formed the basis of the unified standards for the coupling of load dry and wet cycle systems, as well as evaluating the durability of cementitious materials under corrosive environments.

The foundation for accurately understanding regional land-use structures and pursuing the coordination of human–land relations is the scientific identification and simulation of temporal and spatial evolution patterns of land-use spatial conflict (LUSC). Taking the Yimengshan Geopark (YG) as an example, based on the productional–living–ecological space (PLES) perspective, which constructs a land-use spatial conflict identification and intensity diagnosis model (LUCSII) using the landscape ecology index. We apply geographic information system (GIS) and other methods to achieve the spatial pattern of LUSC over the last 20 years, and we use the GMOP–Markov–PLUS model to simulate the evolution of LUSC in the future under various scenarios. From 2000 to 2020, the LUSC values in the YG were mainly stable and controllable, with mild conflict, while the areas of severe conflict were mainly concentrated in the central urban area of Mengyin County and in low and flat terrain areas such as southern Bailin Town. The LUSC in the YG showed a significant positive spatial correlation, and spatial agglomeration is gradually strengthening. The high–high clusters are found in contiguous areas at the junction of Changlu Town, Gaodu Town, and Mengyin Street, as well as in the southern hilly areas. The low–low clusters were concentrated in Yedian Town, Daigu Town inarea north of the study, and areas surrounding Yunmeng Lake Wetland Park. In the next ten years, the ecological priority scenario (EPD) and sustainable development scenario (ESD) will both be reasonable options for easing and controlling LUSC in YG. Local governments and park management bureaus should determine the three lines and three zones based on the needs of social and economic development, particularly the boundary red line for construction land growth, and plan production and living spaces to alleviate land-use conflicts and stabilize the land-use system. Regional ecological security can be maintained, and future deterioration of the park’s ecological environment avoided, by performing well in terms of ecological isolation.

Solid asperity interactions are common and inevitable under severe loading conditions for any lubricated contact. Heavy-duty machine components (gear, bearings etc.) generally operate under Mixed Lubrication, where uneven surface features contact each other when generated fluid pressure is not enough to support the external load. The Reynolds equation is commonly used to simulate smooth lubricated contacts numerically. In rough lubricated interfaces where opposite surface asperities make contact, the Reynolds equation alone cannot accurately predict pressure using the traditional numerical simulation method. In this paper, Lubrication-Contact interface conditions (LCICs) have been implemented and extended to solve the multiple asperity contact problem using the full-multigrid approach. The developed novel algorithm has significantly accelerated the solution process and improved the accuracy and efficiency of pressure calculation for fluid-solid sub-interactions that can occur under ML regions. The Finite Difference Method (FDM) results have been compared with Computational Fluid Dynamics (CFD) simulation to validate the newly developed model. Hence, the proposed optimized solution method will provide valuable insight to researchers and industry engineers interested in simulating the ML problem where the effect of the fluid-solid interface can be captured effectively to improve reliability in the calculation of the life expectancy of the lubricated parts.

Cardiogenic shock (CS) is part of a clinical syndrome consisting of acute left ventricular failure causing severe hypotension leading to inadequate organ and tissue perfusion. The most com-monly used devices to support patients affected by CS are Intra-Aortic Balloon Pump (IABP), Impella 2.5 pump and Extracorporeal Membrane Oxygenation. The aim of this study is the com-parison between Impella and IABP using CARDIOSIM© software simulator of the cardiovascular system. The results of the simulations included baseline conditions from a virtual patient in CS followed by IABP assistance in synchronized mode with different driving and vacuum pressures. Subsequently, the same baseline conditions were supported by the Impella 2.5 with different ro-tational speeds. The percentage variation with respect to baseline conditions was calculated for hemodynamic and energetic variables during IABP and Impella assistance. Impella pump driven with a rotational speed of 50000 rpm increased the total flow by 4.36% with a reduction in left ventricular end diastolic volume (LVEDV) by ≅15% to ≅30%. A reduction in left ventricular end systolic volume (LVESV) by ≅10% to ≅18% (≅12% to ≅33%) was observed with IABP (Impella) as-sistance. Taking into account the limitations of a simulation setting, this study highlights that assistance with the Impella device leads to higher reduction in LVESV, LVEDV, left ventricular external work and left atrial pressure-volume loop area compared to IABP support.

Drought is one of the most serious abiotic stressors in the environment, restricting agricultural production by reducing plant growth, development, and productivity. To investigate such a complex and multifaceted stressor and its effects on the plants, a systems biology-based approach is necessitated, entailing the generation of co-expression networks, identification of highly-priority transcription factors (TFs) dynamic mathematical modeling, and computational simulations. Here, we studied a high-resolution drought transcriptome of Arabidopsis. We revealed distinct temporal transcriptional signatures and demonstrated the involvement of specific biological pathways. Generation of a large-scale co-expression network followed by network centrality analyses identified 117 TFs that possess critical properties of hubs, bottlenecks, and high clustering coefficients nodes. Dynamic transcriptional regulatory modeling on integrated TF-target and transcriptome datasets uncovered major transcriptional events during the course of drought stress. Mathematical transcriptional simulations allowed us to ascertain the activation status of major TFs as well as the transcriptional intensity and amplitude of their target genes. Finally, we validated our predictions by providing experimental evidence of gene expression under drought stress for a set of four TFs and their major target genes using qRT-PCR. Taken together, we provided a systems-level perspective on the dynamic transcriptional regulation during drought stress in Arabidopsis and uncovered numerous novel TFs that can potentially be used in future genetic crop engineering programs.

In the development of the safety-critical systems, it is important to perform Failure Modes and Effects Analysis (FMEA) process to identify potential failures. However, traditional FMEA activities tend to be considered difficult and time-consuming tasks. To compensate for the difficulty of the FMEA task, various types of tools are used to increase the quality and the effectiveness of the FMEA reports. This paper explains an Automatic FMEA tool which integrates the Model-based Design (MBD), FMEA, and Simulated Fault Injection techniques in a single environment. The Automatic FMEA tool has the following advantages compared to the existing FMEA analysis tool. First, the Automatic FMEA tool automatically generates FMEA reports compared to the traditional spreadsheet-based FMEA tools. Second, the Automatic FMEA tool analyzes the causality between the failure modes and the failure effects by performing model-based fault injection simulation. In order to demonstrate the applicability of the Automatic FMEA, we used the electronic fuel injection system (EFI) Simulink model. The results of the Automatic FMEA were compared to that of the legacy FMEA.

The past two decades have witnessed the introduction of and then a steady increase in the use of computational techniques in the study and development of molecularly imprinted polymers (MIPs). Molecular dynamics (MD) based studies have had a significant role in this development as they can provide insights concerning the mechanisms governing the molecular level events underlying MIP synthesis and MIP-ligand interactions and can be used for the identification of preferred monomer compositions and for the prediction of MIP properties. We here review the role that MD has played in the development of molecular imprinting and examine the different types of MD strategies that have been used, including their advantages and challenges. Recent trends in the application of MD to the study of MIPs are presented, along with a perspective on the future importance of MD-based studies for the development of molecular imprinting science and technology.

The risk related to embankment dam breaches needs to be evaluated in order to prepare emergency action plans. The physical and hydrodynamic parameters of the flood wave generated from dam-failure event correspond to various breach parameters such as width, slope and formation time. This study aimed to simulate dam-breach failure scenario of Yabous dam (NE Algeria) and analyze its influence on areas (urban and natural environments) downstream the dam. The simulation was completed using the sensitivity analysis method in order to assess the impact of breach parameters on the dam-break scenario. The propagation of flood wave associated to dam-break was simulated using the one-dimensional HEC-RAS hydraulic model. This study ap-plied a sensitivity analysis of three breach parameters (slope, width, and formation time) in five sites selected downstream the embankment dam. The simulation showed that the maximum flow of the flood wave recorded at the level of the breach was 8768 m3/s, which gradually attenuated along the river course to reach 1579.2m3/s at about 8.5km downstream the dam. This study estab-lished the map of flood-prone areas that illustrated zones threatened with the flooding wave trig-gered by the dam failure due to extreme rainfall events. The sensitivity analysis showed that flood wave flow, height and width revealed positive and similar changes for the increase in adjustments (±25% and ±50%) of breach width and slope in the 5 sites. However, flood wave parameters of breach formation time showed significant trends that changed in the opposite direction compared to breach slope and width.

The presented results of simulations take into account the optical parameters of the selected sea region (from literature data on the southern Baltic Sea) and two optically extreme types of crude oil (from historical data) which exist in the form of a highly diluted oil-in-water emulsion (10 ppm). The spectral index was analyzed based on the results of modelling the radiance reflectance distribution for almost an entire hemisphere of the sky (zenith angle from 0 to 80o). The spectral index was selected and is universal for all optically different types of oil (wavelengths 650 and 412 nm). The possibility of detecting pollution in the conditions of the wavy sea surface (as a result of wind of up to 10 m/s) was studied. It has been also shown that if the viewing direction is close to a direction perpendicular to the sea surface, observations aimed at determining the spectral index are less effective than observation under the zenith angle of incidence of sunlight for all azimuths excluding the direction of sunlight specular reflection.

In light of the self-simulation hypothesis, a simple form implementation of the principle of efficient language is discussed in a self-referential geometric quasicrystalline state sum model in three dimensions. Emergence is discussed in context of geometric state sum models.

This research aims to find out whether the synthetic 1, 2, 4-triazine and its derivatives have antifungal effects and can protect humans from infection with Candida albicans. Molecular docking and molecular dynamic simulation are widely used in modern drug design to target a We are interested in using molecular docking and molecular dynamics modelling to investigate the interaction between the derivatives of 1, 2, 4-triazine and the resulting lanosterol 14 - demethylase (CYP51) of Candida albicans The inhibition of Candida albicans CYP51 is the main goal of our research. The 1, 2, 4-triazine and its derivatives have been docked to the CYP51 enzyme, which is involved in Candida albicans Multidrug Drug Resistance (MDR). Autodock tools were used to identifying the binding affinities of molecules against the target proteins. Compared to conventional fluconazole, the molecular docking results indicated that each drug has a high binding affinity for CYP51 proteins and forms unbound interactions and hydrogen bonds with their active residues and surrounding allosteric residues. The docking contacts were made using a 10 ns MD simulation with nine molecules. RMSD, RMSF, hydrogen bonds, and the Rg all confirm these conclusions. In addition, these compounds were expected to have a favorable pharmacological profile and low toxicity. The compounds are being offered as scaffolds for the development of new antifungal drugs and as candidates for future in vitro testing.

Background: The gut microbiome plays a major role in chronic diseases, of which several are characterized by an altered composition and diversity of bacterial communities. Large-scale sequencing projects allowed characterizing the perturbations of these communities. However, translating these discoveries into clinical applications remains a challenges. To facilitate routine implementation of microbiome profiling in clinical settings, portable, real-time, and low-cost sequencing technologies are needed. Results: Here, we propose a computational and experimental protocol for whole genome quantitative metagenomics studies of human gut microbiome with Oxford Nanopore sequencing technology (ONT) that could be applied to other microbial ecosystems. We developed a bioinformatic protocol to analyse ONT sequences taxonomically and functionally and optimized pre-analytic protocols including stool collection and DNA extraction methods to maximize read length. This is a critical parameter for the sequence alignment and classification. Our protocol was evaluated using simulations of metagenomic communities which reflect naturally occuring compositional variations. Next, we validated both protocols using stool samples from a bariatric surgery cohort, sequenced with ONT, Illumina and SOLiD technologies. Results revealed similar diversity and microbial composition profiles. Conclusion: This protocol can be implemented in the clinical or research setting, bringing rapid personalized whole genome profiling of target microbiome species.

Keywords: underground engineering; numerical simulation; excavation length effect, major principal stress; displacement; damage initiation; CPU time

Virtual Reality(VR) is an emerging technology with a broad range of application in training, entertainment, and business. To maximize the potentials of virtual reality as a medium, the unwelcome feeling of simulation sickness needs to be minimized. Even with advancements in VR, the usability concerns are barriers for a wide-spread acceptance. Several factors (hardware, software, human) play a part towards a pleasant VR experience. The reviewed scientific articles are mostly part of documents indexed in digital libraries. In this paper, we review the potential factors which cause simulation sickness and minimize the usability of virtual reality systems. We review the best practices from a developer’s perspective and some of the safety measures a user must follow while using the VR systems from existing research. Even after following some of the guidelines and best practices VR environments do not guarantee a pleasant experience for users. Limited research in VR environments towards requirement specification, design, and development for maximum usability and adaptability was the main motive for this work.

Unsupported sleepers or void zones in ballasted tracks are one of the most recent and frequent track failures. The void failures have the property of intensive development that, without timely maintenance measures, can cause the appearance of cost-expensive local instabilities like subgrade damages. The reason of the intensive void development lies in the mechanics of the sleeper and ballast bed interaction. The particularity of the interaction is a dynamic impact that occur due to void closure. Additionally, void zones cause inhomogeneous ballast pressure distribution between the void zone and fully supported neighbour zones. The present paper is devoted studying the mechanism of the sleeper-ballast dynamic impact in the void zone. The results of experimental in-situ measurements of rail deflections showed the significant impact accelerations in the zone even for light-weight slow vehicles. A simple 3-beam numerical model of track and rolling stock interaction has shown the similar to the experimental measurements dynamic interaction. Moreover, the model shows that the sleeper accelerations are more than 3 times higher than the corresponding wheel accelerations and the impact point appear before the wheel enters the impact point. The analysis of ballast loadings shows the specific impact behaviour in combination with the quasistatic part that is different for void and neighbour zones, which are characterised with high ballast pre-stressed conditions. The analysis of void sizes influence demonstrate that the impact loadings, wheel and sleeper maximal accelerations appear at certain void depth after which the values decrease. The ballast quasistatic loading analysis indicates more than twice increase of the ballast loading in neighbour zones for long voids and almost full quasistatic unloading for short length voids. However, the used imitation model cannot explain the nature of the dynamic impact. The mechanism of the void impact is clearly explained by the analytic solution using a simple clamped beam. A simplified analytical expression of the void impact velocity shows that it is linearly related to the wheel speed and loading. The comparison to the numerically simulated impact velocities shows a good agreement and the existence of the void depth with the maximal impact. An estimation of the long-term influences for the cases of normal sleeper loading, high ballast pre-stress and quasistatic loading in the neighbour zones and high impact inside the void are performed.

Molten salt reactors have gained substantial interest in the last years due to their flexibility and their potential for simplified closed fuel cycle operation for massive net-zero energy production. However, a zero-power reactor experiment will be an essential first step into the process delivering this technology. The choice of the optimal reflector material is one of the key issues for such experiments since on the one hand it offers huge cost saving potential due to reduced fuel demand, on the other hand an improper choice of the reflector material can have negative effects on the quality of the experiments. The choice of the reflector material is for the first time introduced through a literature review and a discussion of potential roles of the reflector. The 2D study of different potential reflector materials has delivered a first down selection with SS 304 as representative for stainless steel, lead, copper, graphite, and beryllium oxide. A deeper look identified in addition iron-based material with high Si content. The following evaluation of the power distribution has shown the strong influence of the moderating reflectors creating a massively disturbed power distribution with a peak at the core boundary. This effect has been confirmed through a deeper analysis of the 2D multi-group flux distribution which lead to the exclusion of the BeO and the graphite reflector. The most promising materials identified have been SS 304, lead, and copper. The final 3D Monte-Carlo study demonstrated that all three materials have the potential to reduce the required amount of fuel by up to 60% compared NaCl which has been used in previous studies and is now taken as reference A first cost analysis has identified the SS 304 reflector as the most attractive solution. The results of the 2D multi group deterministic study and the 3D multi group Monte-Carlo study have been confirmed through a continuous energy Monte-Carlo reference calculation showing only minor differences.

Molten salt reactors have gained substantial interest in the last years due to their flexibility and their potential for simplified closed fuel cycle operation for massive net-zero energy production. The importance of a zero-power reactor for the process of developing a new, innovative rector concept like molten salt fast reactor is described here. It is based on historical developments as well as the current demand for experimental results and key factors that are relevant to the success of the next step in the development process of all innovative reactor types. In the systematic modelling & simulation of a zero-power molten salt reactor, the radius and the feedback effects are studied for a eutectic based system, while a heavy metal rich chloride-based system are studied depending on the uranium enrichment accompanied with the effects on neutron flux spectrum and spatial distribution. These results are used to support the relevant decision for the narrowing down of the configurations supported by considerations on cost and proliferation for the follow up 3D analysis to provide for the first time a systematic modelling & simulation approach for a new reactor physics experiment. The expected core volumes for these configurations have been studied using multi-group and continuous energy Monte-Carlo simulations identifying the 35% enriched systems as the most attractive and finally leading to the choice of the heavy metal rich compositions 35% enrichment as the reference system for future studies of the next steps in the zero power reactor investigation. The inter-comparison of the different applied codes and approaches available in the SCALE package has delivered a very good agreement between the results creating trust into the developed and used models and methods.

Molten salt reactors have gained substantial interest in the last years due to their flexibility and their potential for simplified closed fuel cycle operation for massive net-zero energy production. However, a zero-power reactor experiment will be an essential first step into the process of delivering this technology. The topic of the control and shut down for a zero power reactor is for the first time introduced through a literature review and the reduction of the control approaches to a limited number of basic functions with different variations. In the following, the requirements for the control and shutdown system for a reactor experiment are formulated, and based on these assessments, an approach for the shutdown – splitting the lower part of the core with reflector, and an approach for the control – a vertically movable radial reflector are proposed. Both systems will be usable for a zero-power system with a liquid as well as with as a solid core and even more importantly, both systems somehow work on the integral system level without disturbing the central part of the core which will be the essential area for the experimental measurements. Both approaches have been investigated as a singular system as well as their interactions with one another and the sensitivity of the control system. The study has demonstrated that both proposed systems are able to deliver the required characteristics with sufficient shutdown margin and a sufficiently wide control span. The interaction of the system has been shown to be manageable and the sensitivity is on a very good level. The multi-group Monte-Carlo approach has been cross evaluated by a continuous energy test leading to good results, but they also demonstrate that there is room for improvement.

Recently, Indium Tin Oxide, a highly transparent, well conductive, and CMOS-compatible material, has been paying strong attention to the thermo-optic controlled silicon photonics industry because it allows a miniature of the gap between the core silicon and the heater, thus enabling reducing the electric power consumption and enhancing the switching speed. In this article, we propose an ultralow loss and small-size ITO microheater for the phase shift tuning. The designated microheater is manipulated in realizing a numerical co-design of compact and high bandwidth three-mode converter and three-mode selective router. Simulation results illustrate the 3-dB bandwidth for the three-mode converter and three-mode selective router as much as 100-nm and 40-nm during crosstalk under -25 dB, respectively. Besides, co-designed devices attain relatively large fabrication tolerances corresponding to width and height tolerances of ±50 nm and ±5 nm. In addition, the proposed devices consumed less than 90 mW total power consumption and took a fast switching time below 8 μs. Moreover, both two co-designs can be integrated into an estimated compact footprint of 8 μm2160 μm. Such excellent performances demonstrate the attractive potential of ITO as low-loss thermo-optic phase shifters and open an alternative way for enabling ultrafast and high-speed mode division multiplexing systems and very large-scale photonic integrated circuits.

Magnetometric Resistivity(MMR) Method, which can use the power supply method of the traditional apparent resistivity method to measure the magnetic field. At present, the application research abroad is relatively extensive, but the domestic(China) research on the application of the MMR method is very few, and it is not even well-known. This paper is based on the MMR theoretical method under the point source DC condition, combined with the abnormal potential method and the modified Biot-Savart law, and using the three-dimensional numerical calculation method of the finite difference method to calculate the abnormal potential field, electric field, and magnetic field on the matlab2018a platform. Calculate, realize the multi-physics simulation in the electromagnetic field through Matlab platform programming, and verify the correctness of the algorithm by the spherical anomaly model with an analytical solution. Through the visual simulation of the three-dimensional data volume of the multi-physics field in the electromagnetic field, we can better understand the response mechanism of the electromagnetic field under DC conditions and grasp their three-dimensional spatial distribution rules. It is hoped that the research in this article can help the research of MMR Personnel better use this method for exploration.

For the problem of poor accuracy of the existing multi-rate simulation methods, this paper proposes a multi rate real-time simulation method based on the Norton equivalent, compared with multi-rate simulation method based on the ideal source equivalent. After the Norton equivalence of the fast subsystem and the slow subsystem, they are obtained simultaneously at the junction nodes. In order to reduce the amount of simulation calculation, the Norton equivalent circuit is obtained by incremental calculation. The data interface between the fast subsystem and the slow subsystem is realized by extrapolation method. For ensuring the real-time performance of the simulation, the method that the slow subsystem calculates ahead of the fast subsystem is given for the slow subsystem with a large amount of calculation. Finally, the AC/DC hybrid power system was simulated on the real-time simulation platform (FRTDS), and the simulation results were compared with the single-rate simulation, which verified the correctness and accuracy of the method.

We review and assess the classic SIR and SEIR epidemiological models regarding possible applications to the COVID-19 pandemic. In spite of numerous more complicated models, we show how the qualitative features of the solution to the SIR and SEIR models continue to provide valuable public health insights in some scenarios. Using estimated COVID-19 data as of this date, the SEIR model shows that if it were possible to reduce R₀ from 2.5 to 1.25 through social distancing and other measures, the maximum fraction of the population that would become infected at any particular time would drop from 17% to 4%, provided that all of the model assumptions are satisfied. Finally, we compare the classic SIR model with a recent stochastic model with favorable results. Since this comparison underscores the importance of underlying connectivity assumptions, we conclude with Monte-Carlo simulations with specific connectivity that reproduce the classical SIR model with standard incidence.

Predictive simulation of concurrent debris flow using only pre-disaster information has proven to be difficult as a result of problems in predicting the location of debris-flow initiation (i.e., slope failure). However, because catchment topography has concave characteristics, with all channels in a catchment joining each other as they flow downstream, it is possible to predict damage to downstream area using relatively inaccurate initiation points. Based on this, this paper presents methodologies employing debris-flow initiation points generated randomly using statistical slope failure prediction. A many-case simulation across numerous initiation points was performed to quantify the effect of slope-failure location in terms of deviations in the predicted water level and terrain deformation. It was found that the relative standard deviation diminished as the points approached the downstream area, indicating a location-based predictability effect.

We have proposed a data-driven approach for designing mesoscale porous structures of Li-ion battery electrode with three-dimensional virtual structures and machine learning techniques. Over 2,000 artificial 3D structures assuming positive electrode composed of random packed spheres as active material particles are generated, and charge/discharge resistance has been evaluated using simplified Physico-chemical model. In this model, resistance from Li diffusion in active material particles (diffusion resistance), transfer resistance of Li+ in electrolyte (electrolyte resistance) and reaction resistance on the interface between active material and electrolyte are simulated based on mass balance of Li, Ohm’s law in and linearized Butler-Volmer equation, respectively. Using these simulation results, regression models via Artificial Neural Network (ANN) have been created in order to predict charge/discharge resistance from porous structure features. In this study, porosity, active material particle size and volume fraction, pressure in the compaction process, electrolyte conductivity, and binder volume fraction are adopted as features, associated with controllable process parameters for manufacturing battery electrode. As results, the predicted electrode resistance by ANN regression model is good agreement with the simulated values. Furthermore, sensitivity analysis and optimization of the process parameters have been carried out. The proposed data-driven approach could be a solution as a guiding principle for manufacturing battery electrode.

Mixing is considered as a critical process parameter (CPP) during process development due to its significant influence on reaction selectivity and process safety. Nevertheless, mixing issues are difficult to identify and solve owing to their complexity and dependence on knowledge of kinetics and hydrodynamics. In this paper, we proposed an optimization methodology using Computational Fluid Dynamics (CFD) based compartmental modelling to improve mixing and reaction selectivity. More importantly, we have demonstrated that through the implementation of surrogate-based optimization, the proposed methodology can be used as a computationally non-intensive way for rapid process development of reaction unit operations. For illustration purpose, reaction selectivity of a process with Bourne competitive reaction network is discussed. Results demonstrate that we can improve reaction selectivity by dynamically controlling rates and locations of feeding in the reactor. The proposed methodology incorporates mechanistic understanding of the reaction kinetics together with an efficient optimization algorithm to determine the optimal process operation and thus can serve as a tool for quality-by-design (QbD) during product development stage.

Star block-copolymers (SBCs) are macromolecules formed by a number of diblock copolymers anchored to a common central core, being the internal monomers solvophilic and the end monomers solvophobic. Recent studies have demonstrated that SBCs constitute a self-assembling building blocks with specific softness, functionalization, shape, and flexibility. Depending on different physical and chemical parameters the SBCs can behave as flexible patchy particles. In this paper, we study the rotational dynamics of isolated SBCs using a hybrid mesoscale simulation technique. We compare three different approaches to analyse the dynamics: the laboratory frame, the non-inertial Eckart's frame, and a geometrical approximation relating the conformation of the SBC to the velocity profile of the solvent. We find that the geometrical approach is adequate when dealing with very soft systems while in the opposite extreme, the dynamics is best explained using the laboratory frame. On the other hand, the Eckart frame is found to be very general and to reproduced well both extreme cases. We also compare the rotational frequency and the kinetic energy with the definitions of the angular momentum and inertia tensor different from recent publications.

We estimated the daily intakes of chlorpyrifos and cypermethrin via ingestion of indoor dust and outdoor soils using the Stochastic Human Exposure and Dose Simulation Model on a probabilistic approach for Taiwan’s homes. Variable information for the daily intake estimation, such as concentration, ingestion rate, body weight, was adopted from previous studies. Monte Carlo simulation was performed with 1,000,000 iterations to simulate a single daily intake, which was shown in terms of percentage of the Acceptable Daily Intake (ADI) of either insecticide. The daily intakes were minimal with a 99% probability; at 99.9th percentile, however, the total intakes leaped to 13.1% and 20.0% of the respective ADIs of chlorpyrifos and cypermethrin. The sensitivity analysis indicated that concentration was the most determinant variable. Compared to the data of daily intakes via dietary ingestion of vegetables derived from a previous study, the estimated intakes by this study were considerable at the highest percentile, which referred to insecticide residues few days after insecticide application. Consequently, the non-dietary ingestion exposure to either insecticide was negligible in most cases; nevertheless, for those with indoor insecticide applications, the daily intakes for young children could be of concern. Frequently home cleaning is recommended to reduce the exposure.

The processing of woody biomass waste piles for use as fuel instead of burning them was investigated. At each landing slash pile location, a 132 kW grapple excavator was used to transfer the waste piles into a 522 kW horizontal grinder. Economies of scale could be expected when grinding a larger pile, although the efficiency of the loading operation might be diminished. Here, three piles were ground and the operations were time-studied: Small (20 m long × 15 m wide × 4 m high), Medium (30 × 24 × 4 m), and Large (35 × 30 × 4 m) piles. Grinding the Medium pile was found to be the most productive at 30.65 bone dry tons per productive machine hour without delay (BDT/PMH₀), thereby suggesting that there might be an optimum size of slash pile for a grinding operation. We also examined modeling of the excavator and grinder operations, and we observed that the constructed simulation model well-replicated the actual operations. Based on the modeling, we estimated that the productivity of grinding at a landing area of 710 m² of slash pile location was 31.24 BDT/PMH₀, which was the most productive rate.

Collision avoidance is an important feature in advanced driver-assistance systems, aiming at providing correct, timely and reliable warnings before an imminent collision (objects, vehicles, pedestrians, etc.). A co-simulation framework is proposed in this paper to address the design and evaluation of collision avoidances in a cyber-physical system. The co-simulation framework is supported on the interaction between SCANeR and Matlab/Simulink. From the best of authors’ knowledge, two main contributions are reported in this paper. Firstly, the modelling and simulation of virtual on-chip LIDAR sensors in a cyber-physical system (CPS) considering traffic scenarios is presented. The CPS is designed and implemented in SCANeR. Secondly, an obstacle recognition library with three specific Artificial Intelligence-based methods is also designed based on sensory information database provided by SCANeR. Three methods for collision avoidance detection are considered, i.e.; a multi-layer perceptron neural network, a self-organization map and a support vector machine. Finally, a comparison among these methods for detecting obstacles before different weather conditions is done with very promising results in terms of accuracy. The best results are achieved using the multi-layer perceptron in sunny and fog conditions, the support vector machine in rainy and self-organized map in snowy conditions.

Lactoperoxidase (LP), which is a high-value minor whey protein, has recently drawn extensive attention from research scientists and industry due to its multi-function and potential therapeutic applications. In this study, the separation and optimization of two similar-sized proteins, LP and lactoferrin (LF) were investigated using strong cation exchange column chromatography. Optimization was started with central composite design based experiments to characterize the importance of different decision variables. The three variables used in the optimization were flow rate, length of gradient and final salt concentration in the linear elution gradient step. The obtained empiric functional model represented the effect of the significant factors on the yield as the objective function. Afterwards, the calibrated mechanistic model was employed to predict accurate optimal set of variables. The optimal operating points were found and the results were compared with validation experiments. Predictions respecting yield confirmed a very good agreement with experimental results while keeping purity, a product quality characteristic, equal or above to a predefined value.

Technological advancements and evolving government regulations are driving the adoption of construction equipment powered by renewable energy sources, aiming to significantly reduce emissions. Electrifying non-road mobile machinery (NRMM), particularly self-propelled Rough-Terrain Variable Reach Trucks (RTVRT) with telescopic booms, presents stability challenges. Replacing diesel engines with electric motors and battery packs shifts the centre of gravity, necessitating precise load capacity determinations via load charts to ensure safe operation. This paper introduces a virtual model developed using multi-physic modelling with Bond Graph methodology. The model encompasses crucial components, including the chassis, rear axle, telescopic boom, attachment fork, and wheels, requiring three-dimensional treatment for spatial dynamics resolution. An illustrative example, supported by experimental data, demonstrates the model's capabilities. Special focus is placed on calculating ground wheel reaction forces and hydraulic self-leveling of the attachment fork. Numerical results validate the BG-3D simulation model of the telehandler with 20-Sim as a promising tool for estimating stability limits with satisfactory precision and predicting dynamic behavior across various operating conditions. Moreover, the paper explores potential extensions of the model, such as integrating the virtual vehicle model with a platform of variable inclination in subsequent phases which aims to evaluate telehandler longitudinal and lateral stability, aligning with the ISO 22915 standard and operator safety.

Lithium-metal batteries offer high energy density, but are challenged by dendrite growth, which can lead to short circuits and battery failure. Various models with varying degrees of accuracy and computational cost have been developed to understand and predict dendrite growth. In this study, a simple simulation model to predict macroscale dendrite growth on lithium metal electrodes is presented. The model uses a 3D single-particle diffusion-limited aggregation (DLA) algorithm, biased by the electric field, to simulate dendrite growth. The model was validated using 3D MRI of dendrite growth in a lithium symmetric cell. It was used to simulate deposition between consecutive measured dendrite structures. The model also introduces an important parameter, namely the biasing factor c, which determines the balance between diffusion and electric field effects. This parameter was calibrated using the overlap and displacement of deposition sites metrics, achieving optimal results at c = 0.7. The model predictions were in good agreement with experimental data confirmed by fractal dimension analysis. This model provides a useful tool for predicting and studying dendrite formation in lithium and other metal batteries.

The rotational correlation times of a small compact spin probe (2,2,6,6-tetramethylpiperidin-1-yl)oxyl in isotactic polypropylene were obtained over a wide temperature range by EPR spectra simulation taking into account anisotropic rotation as well as distribution of probe molecules by rotational mobility. The averaged values of rotational correlation times were compared with the corresponding values calculated using well-known approximated formulas based on the intensities and widths of the spectral lines. It was shown that the calculated values can be used as effective parameters to characterize rotational mobility of the spin probe in the polymer matrix in a wide range of rotational correlation times.

The iron roughneck is an automated equipment utilized for the connection and removal of drilling tools. This paper presents the design of an integrated iron roughneck, providing a detailed introduction to its clamp body structure, along with an analysis of its structural characteristics and performance requirements. The study delves into the integration mode and working characteristics of the clamping mechanism and spin buckle mechanism for the integrated upper clamp body structure of the iron roughneck. Additionally, this paper conducts an in-depth theoretical study on the spin buckle mechanism. Firstly, it analyzes the actual working condition of the spin buckle roller from two perspectives: contact theory and rolling friction theory, determining the structural form of the spin buckle roller. Secondly, it investigates the relative displacement between the spin buckle mechanism and the drilling tool, proposing a design method for the floating device mounted on the spin buckle roller and establishing the kinematic equation of the spin buckle roller under the influence of the floating device. Furthermore, the kinematic equations of the spin buckle roller under the influence of the floating device are established. Finally, a dynamics simulation experiment is performed to simulate the working process of the spin buckle mechanism under actual working conditions, analyzing the dynamics and kinematics of the spin buckle mechanism and obtaining the relevant parameter curves of the spin buckle mechanism and drilling tools. Through data comparison and analysis, the correctness of the theoretical analysis results and the rationality of the performance and structure of the spin buckle mechanism are verified.

Digital Twin (DT) technology is a pivotal innovation within the built environment industry, facilitating digital transformation through advanced data integration and analytics. DTs have demonstrated significant benefits in building design, construction, and asset management, including optimizing lifecycle energy use, enhancing operational efficiency, enabling predictive maintenance, and improving user adaptability. By integrating real-time data from IoT sensors with advanced analytics, DTs provide dynamic and actionable insights for better decision-making and resource management. Despite these promising benefits, several challenges impede the widespread adoption of DT technology, such as technological integration, data consistency, organisational adaptation, and cybersecurity concerns. Addressing these challenges requires inter-disciplinary collaboration, standardization of data formats, and the development of universal design and development platforms for DTs. This paper provides a comprehensive review of DT definitions, applications, capabilities, and challenges within the Architecture, Engineering, and Construction (AEC) industries. This paper provides important insights for researchers and professionals, helping them gain a more comprehensive and detailed view of DT. The findings also demonstrate the significant impact that DTs can have on this sector, contributing to advancing DT implementations and promoting sustainable and efficient building management practices. Ultimately, DT technology is set to revolutionize the AEC industries by enabling autonomous, data-driven decision-making and optimizing building operations for enhanced productivity and performance.

This work offers a new log generalized odd log-logistic exponential regression model for analyzing weekly dengue fever cases in 2022 with a location-systematic component. To achieve this, a data set of 49 observations of dengue fever cases in the Federal District of Brazil is employed. A review of the mathematical properties of the generalized odd log-logistic exponential distribution is provided, the maximum likelihood method is used to estimate the parameters, and, through Monte Carlo simulations, the accuracy of the estimators is investigated. The model's fit is assessed using global influence metrics and residual analysis. For the time scenario studied, the proposed regression identified factors that have an impact on dengue fever cases, which may contribute to improve disease control. Finally, several interpretations are addressed, and a discussion presents results that aid in better understanding the data set and future research on different data.

Petri nets are a graphical notation for describing a class of discrete event dynamic systems whose behaviours are charaterised by concurrency, synchronisation, mutual exclusion and conflict. They have been used over the years for the modelling of various distributed systems applications. With the advent of pervasive systems and the Internet of Things, the Calculus of Context-aware Ambients (CCA) emerged as a suitable formal notation for analysing the behaviours of these systems. In this paper, we are interested in comparing the expressive power of Petri nets to that of CCA. That is, can the class of systems represented by Petri nets be modelled in CCA? To answer this question, an algorithm is proposed that maps any Petri net onto a CCA process. We show that a Petri net and its corresponding CCA process behave the same way through experiments. It follows that CCA is at least as expressive as Petri nets, i.e. any system that can be specified in Petri nets can also be specified in CCA. Moreover, tools developed for CCA can also be used to analyse Petri nets.

With the continuous increase in ship size combined with the generally slower increase in the size of waterways, the need for the prediction of ship maneuvering in shallow waterways continues to attract attention from the international scientific community. Ship behavior in shallow water is relevant in seabed effects that result in changing the hydrodynamic forces acting on the ship. In this study, the maneuvering characteristics of container ship with four degrees of freedom in shallow water are analyzed. The Reynolds-averaged Navier Stokes approach in Ansys Fluent code is used to produce the maneuvering coefficients through the simulations of forward running, static drift, static heel, circular motion, the combined motions, and the pure roll motion of the Kriso container ship. The maneuvering characteristics of the ship are estimated for evaluating the ship behaviors in shallow water condition. The obtained results show that the roll has a significant decrease and the ship’s turning diameter has a significant increase when the ship operates in the shallow waterway. The prediction of maneuvering characteristics of the ship are in good agreement with those of free running model tests, indicating that the numerical simulation based on the Computational Fluid Dynamics method has compromising capability to predict the maneuvering derivatives and the 4-DOF ship maneuvering motion in shallow water as well.

In this study, a Traveling-Wave Mach-Zehnder intensity Modulator (TW-MZM) was designed and optimized for six different electro-optical (EO) crystals: Lithium Niobate (LNB), Potassium Niobate (KNB), Lithium Titanate (LTO), Beta Barium Borate (BBO), Cadmium Telluride (CdTe), and Indium phosphide (InP). The performance of each EO crystal, including optical and radio frequency (RF) loss, applied voltage, and modulation bandwidth, was estimated and compared. The results suggested that, in theory, KNB, LTO, BBO, and CdTe have the potential to outperform LNB. However, it should be noted that the loss associated with KNB and LTO is comparable to that of LNB. The findings demonstrated that BBO and CdTe exhibit a modulation bandwidth exceeding 100 GHz and demonstrate the lowest loss among the considered crystals based on the assumed geometry.

Dynamic virtual testing by Hardware in the Loop (HIL) real time simulation systems is common to minimize physical tests to validate and verify control algorithms, logics and software, under normal and emergency conditions. The accurate but costly HIL models setup activities could have an extended use to simulate faulty conditions that are seldom observable in the real system, yet they must be detected in advance and recognized. Data driven diagnostic methods have reached a mature development, in various sectors, proving effective in early detecting slowly varying deviations from nominal patterns of signals, even without a priori knowledge of their nature and behavior. These methods rely on vast amount of data logged from real systems that are ever and ever richer of monitoring telemetries that are worth being exploited. However, due to the usually reliable and safe systems being managed, it is often difficult to collect enough data on anomalous situations to validate fault detection and isolation and limit false positives. HIL model-based simulations allow generating and observing operational domains or transients rarely observed in real operations. This allows identifying the signals that are most correlated to faults and that could be selected to setup data-based diagnostic models of parts or subsystems, which are more suitable than the whole HIL model for online diagnostics, as well as to identify the features and trends that are most symptomatic of anomalous conditions.

In this paper, low circumferential reciprocating load foot-scale tests were performed on two truncated PHC B 600 130 tubular piles with bearing nodes to characterize the damage process and morphology of the specimens and to investigate the load-carrying performance of the members. The test results reveal that under the action of tensile-bending-shear loading, the bearing concrete in the node area buckles and is damaged, the anchored reinforcement in the node area yields, the constraint is weakened, an articulation point is formed, and the node rotational capacity increases. When the embedment depth increases from 200 mm to 300 mm, the ultimate bearing capacities of the positive and negative nodes increase by 57.60% and 54.60%, respectively. A numerical simulation is used to verify the test results. Considering the three types of piles with truncated nodes, the numerical simulation is used to analyze the node-bearing capacity at different embedment depths. Finally, two preferred node types are proposed as follows: pipe pile core-filled longitudinal reinforcement anchored into the bearing node and pipe pile body longitudinal reinforcement anchored into the bearing node + pipe pile core-filled longitudinal reinforcement anchored into the bearing node, with preferred embedment depths of 350 mm and 200 mm, respectively.

This paper proposes a lightweight joint with bamboo culm cross connection, which is constructed by screwing one side of the screw into the other side of the wooden plug, its simple construction makes it easy to manufacture and cost-effective. This form connects adjacent bamboo culms to form corner joints, and bolt connects adjacent bamboo culm frames to form edge joints, to explore the mechanical properties of the combination joints formed by corner joints and edge joints, by combining experiments and numerical simulations, the method discovered and explained the relationship and mechanism between the number and position of bolts and the stiffness of edge joints. A calculation model for frame-unit bamboo culm members considering semi-stiffness of joints is proposed, and the conversion equations between linear stiffness of corner and edge joint and their rotational stiffnesses are derived. By establishing the series and parallel relationship between the corner and edge joints in the assembled members, a generalized relational equation between the total stiffness of the assembled joint and the stiffness of the corner and edge joints is derived. A numerical simulation method for frame-unit bamboo culm members with semi-rigid joints is proposed, which can obtain the stiffness calculation formula of edge joints and the average rotational stiffness value of semi-rigid corner joints. A finite element analysis method based on semi-rigid joints is proposed for frame-unit bamboo culm members, and the internal force sketches and calculation methods for bamboo culms and joints are presented, which can be used for the internal force analysis and design of frame-unit bamboo culm lattice structures.

Over-capacity flight scheduling by commercial airlines due to the surging demand in recent years creates congestion and significant delays at major airports. This maximizing throughput attitude calls for tactical flight rescheduling to comply with airports’ capacity limitations and distribute the peak hour demand over the course of a day. Such displacements of flights may cause significant problems and costs for airlines and some cancellations or missed connections for the passengers. This paper presents an optimization model for flight rescheduling at a schedule-coordinated airport to minimize congestion and flight delays. The optimization model is used to make better scheduling intervention decisions considering the airport resource constraints and safety of operation. We have also developed a simulation method to replicate arrival and departure processes in such an airport. The simulation adheres to a first come first served (FCFS) discipline and enforces runway capacity constraints and minimum turnaround times. We compare the delays caused by an ad hoc FCFS operation with those obtained by the optimization model. Computational results from a case study demonstrate that a reduction of 40.7% and 61.6% in total delay times for the arrival and departure flights can be achieved by the optimization model. It also facilitates implementing a collaborative decision-making system for better coordination with commercial airlines.

Transport electrification is essential for reducing CO2 emissions, and technologies such as hybrid and range-extended electric vehicles will play a crucial transitional role. Such vehicles employ an internal combustion engine for on-board chemical energy conversion. The Wankel rotary engine should be an excellent candidate for this purpose, offering high power-to-weight ratio, simplicity, compactness, perfect balance, and low cost. Until recently, however, it has not been in production in the automotive market, due, in part, to relatively low combustion efficiency and high fuel consumption and unburnt hydrocarbon emissions, which can be traced to constraints on flame speed, an elongated combustion chamber, and relatively low compression ratios. This work uses large-eddy simulation to study the in-chamber flow in a peripherally ported 225cc Wankel rotary engine, providing insight into these limitations. Flow structures created during the intake phase play a key role in turbulence production but presence of the pinch point inherent to Wankel engine combustion chambers inhibits flame propagation. Two efficiency-enhancement technologies are introduced as disruptive solutions: (i) pre-chamber jet ignition and (ii) the two-stage rotary engine. These concepts overcome the traditional efficiency limitations and show that Wankel rotary engine design can be further enhanced for its role as a range extender in electrified vehicles.

An existing simplified simulation model of global climate, population, economy, and governance is extended, through statistical and other data analysis, to include several measures of human well-being and population displacement. The revised model is used to explore (in testing to the year 2060) vicious cycles and causal cascades that, some have warned, could lead to acceleration of climate change in the coming decades. Model scenario testing addresses two uncertainties, namely the strength of the effect of climate change on governance erosion, and the strength of the “heat trap” effect from physical tipping points such as ice loss and permafrost thaw. This testing indicates that a strong heat trap effect could very well accelerate climate change, but that even a strong governance erosion effect is unlikely to do so. Governance erosion would hurt human well-being but is probably not much of a climate threat per se. These results are tentative but point to the possibility of formally modeling causal cascades beyond what the larger climate models have done to date.

For both conventional and renewable energy conversion processes, computational fluid dynamics (CFD) has been used to address more energy-related challenges in recent decades. Using CFD to investigate vertical-axis wind turbines has become more common in recent years. The main goals of this application have been to more accurately predict the turbine's performance and to comprehend the complicated nature of the complex turbulent flow. The Vertical Axis Wind Turbine (VAWT) simulation for energy-generating applications has several intricate components. One of them is being aware of the chaotic flow that occurs during the first stages of the starting process, which influences overall effectiveness. In this article, the performance of the wind turbine was increased by using a passive flow control approach. The numerical research was carried out using Large Eddy Simulation for four alternative tip speed ratios in both cases, the classic and the optimized, equipped with a vortex trap on the exterior of the blades. The power and torque coefficient variations, as well as the velocity magnitude contours, show that the starting process may begin with a significant improvement in efficiency when flow control is used.

The first paper of this two-part series paper discussed the development of a novel lightweight 3D wood dowel-reinforced glass epoxy hybrid composite material (3DdrFRP) and its manufacturing procedures. It also experimentally compared the performance of scaled utility poles made from conventional 2D E-glass epoxy and 3DdrFRP materials. In the second part, we developed robust finite element (FE) models in LS-DYNA, calibrated them based on experimental results, and used them to simulate the performance of equivalent 2D and 3D poles, proving the integrity of the numerical model. Additionally, we developed a simplified analytical calculation method for engi-neers to determine the stiffness of 3D-DrFRP poles accurately and quickly.

Bifacial PV modules have become the pervasive choice for utility-scale solar photovoltaic (PV) installations. Understanding bifacial PV performance for commercial deployments is, therefore, critically important. Although there have been studies on the modeling of Bifacial PV performance, to the best of our knowledge, the comprehensive integration of racking and mounting geometry for Bifacial PV performance simulation is yet to be reported. In this work, we modeled the racking and mounting geometry for a field-deployed operational PV array. We then applied optical ray-trace simulation to study the impact of those structures on array performance. The study reveals that the support structures have a considerable impact on the rear surface irradiance and overall bifacial PV performance, amounting to as much as 30% shading in certain situations. The work analyzes the impact of installation parameters such as tilt, height, and row spacing on the bifacial PV array’s performance. Thus, a novel holistic approach to studying the sensitivity of various installation parameters’ impact on bifacial PV array performance, with the racking and mounting structure’s geometry integrated, has been demonstrated through the work. This knowledge and its practice enables site-specific design optimization for utility-scale bifacial solar PV arrays and synergistic PV applications such as agrivoltaics and carports, where maximizing power generation is not necessarily the sole objective.

Zinc, being a part of many proteins and enzymes, plays an important role in the vital processes of the body. Racemic α-lipoic acid (LA) has a wide range of biological activities: antioxidant, antidiabetic, anticancer, and it is also used in diseases such as Parkinson's and Alzheimer's. Nowadays, the synthesis and structural studies of new zinc complexes with biologically active compounds are of great importance for drug discovery. This work shows the studies carried out on the synthesis, structure, identification, also biological activity using in silico methods of a complex compound based on LA and zinc. A complex compound of zinc with LA (ZnLA) was synthesized in the presence of LA and zinc acetate in ethanol. The identification of ZnLA by (FT-IR, XRD and TGA-DTA), also DFT calculations at the B3LYP/def2-TZVPP level of theory was performed. The molecular docking investigation involved docking ZnLA with two different protein receptors such us Glycogen phosphorylase (2GPA) and Kv potassium channel beta subunit (1ZSX) using CB-Dock 2 server and Auto-Dock Vina program to determine the mechanism of action and biological activity. This study reveals potential ligand-protein interactions at the atomic level and suggests that the treatment of diabetes (non-insulin dependent) with ZnLA.

The resistance of Candida spp to fluconazole is a serious problem; Therefore, it must be investigated to expand the understanding of the phenomenon with a view to its clinical applicability. The aim was to evaluate the expression of ERG3, ERG11, CDR1, and SNQ2 genes involving computational analysis. Relative expression was quantified by RT-qPCR. Metrics were obtained by molecular docking and through Fisher's discriminant functions, a predictive classification against susceptibility to fluconazole was performed. The expression of ERG3, CDR1, and SNQ2 genes was higher in resistant strains than in dose-dependent sensitive strains. The gene with the highest expression in strains exposed to fluconazole was CDR1 and, in both resistant and dose-dependent sensitive strains exposed to fluconazole, the ERG11 gene had lower expression. The molecular docking model generated lower median fluconazole-ERG11 contacts than the median fluconazole-ERG3, -CDR1, and -SNQ2 contacts. The predicted classification through the multivariate model for fluconazole sensitivity obtained an accuracy of 73.5%. Resistant strains had a significant expression of CDR1, SNQ2 and ERG3 genes, compared to a comparatively low expression of ERG11. Molecular analysis identified a low affinity between fluconazole and its drug target, which may explain a lower intrinsic susceptibility of the fungus.

Large language models (LLMs) excel in providing natural language responses that sound authoritative, reflect knowledge of the context area, and can present from a range of varied perspectives. Agent Based Models and Simulation consist of simulated agents that interact within a simulated environment to explore societal, social, and ethical, among other, problems. Agents generate large volumes of data over time and discerning useful and relevant content is an onerous task. LLMs can help in communicating agents’ perspectives on key events by providing natural language narratives. However, these narratives need to be factual, transparent, and reproducible. To this end, we present a structured narrative prompt for sending queries to LLMs. Chi-square tests and Fisher’s Exact tests are applied to assess statistically significant difference in sentiment scores of the narrative messages between simulation generated narratives, ChatGPT-generated narratives, and real tweets. The narrative prompt structure effectively yields narratives with the desired components from ChatGPT. This structure is expected to be extensible across LLMs. In 14 out of 44 categories, ChatGPT generated narratives which has sentiment scores that were not discernibly different, in terms of statistical significance (alpha level of 0.05), from the sentiment expressed in real tweets. Three outcomes are provided: (1) a list of benefits and challenges for LLMs in narrative generation; (2) a structured prompt for requesting narratives of a LLM based on simulated agents’ information; and (3) an assessment of statistical significance in the sentiment prevalence of the generated narratives compared to real tweets. This indicates significant promise in the utilization of LLMs for helping to connect simulated agent’s experiences with real people.

Bistatic scattering coefficient have important application of ocean active microwave remote sensing. In this paper, a general expression of the composite scattering coefficient for multiple dielectric targets of one-dimensional fractal sea surface is derived by MOM method. Secondly, the bistatic scattering coefficient is computed, there are two class missile targets and one class ship target of one-dimensional fractal sea surface, and the influence of the water dielectric constant, fractal dimension, wind speed, the target dielectric constant and spatial position is discussed, and the corresponding conclusions are given. The proposed algorithm is able to solve some composite scattering problems, such as “dielectric or conductive object + rough surface”, “dielectric or conductive floating object +rough ”and it has certain generalization and reference.

Glioblastoma multiforme (GBM) is a highly heterogeneous brain tumor with limited treatment options and a poor prognosis. Cancer stem cells (CSCs) have emerged as a critical factor in GBM resistance and management, contributing to tumor growth, heterogeneity, and immunosuppression. The transcription factor FOXM1 has been identified as a key player in the progression, spread, and therapy resistance of various cancers, including GBM. In this study, researchers conducted structure-based in silico screening to identify natural compounds that could target the DNA-binding domain (DBD) of the FOXM1 protein. Through molecular docking analyses, identified Silybin B as a potential inhibitor of FOXM1, exhibiting strong interaction with the protein. MD simulations were performed to validate the binding stability of the FOXM1-Silybin B complex. The study provides valuable insights into the potential of Silybin B as a FOXM1 inhibitor and its ability to induce senescence in GBM stem cells. These findings contribute to the development of structure-based design strategies for FOXM1 inhibitors and innovative therapeutic approaches for the treatment of Glioblastoma.

Breaching and liquefaction are two types of coastal flow slides proposed in the literature. While their final results are similar, liquefaction and breaching failure are two different processes, with breaching failure characterized by a different progression and sand movement mechanisms. In densely packed sand, breaching causes delayed sand grain discharge and negative excess pore pressures. Liquefaction, when a mass of soil suddenly behaves like a liquid, flow out over overly gentle slopes. Flow slides typically go unnoticed until the slope fails above ground because they start below the water. Without modern technology, diving equipment, risk assessment, and probabilistic and sensitivity assessments, flow slides inherently challenging. The authors developed a new sensitivity index to detect the susceptibility of coastal flow slides. It was established a sophisticated hybrid model that accommodates flow slides in sync with unpredictable variables employed in this new sensitivity index. Innovative hybrid model has three distinctive models. The Hybrid Hydrodynamic Model addresses wave, wind, current, climate change, and sediment transfer. The Monte Carlo Simulation analyses sensitivity, and the Bayesian Network calculates joint probability of coastal flow slide parameters of this new index that includes environmental characteristics, including climate change. With the assistance of these three models, researchers aim at a) presenting a methodology for coupling coastal flow slide projections with outcomes; b) distinguishing two flow slides; c) examining variables influencing flow slides. The use of such a hybrid model and risk index offers a robust and computationally efficient approach to evaluating the critical angle slope for breaching failure.

Lamb waves occur in thin-walled structures in two wave modes, the symmetric and antisymmetric mode. Their oscillation on the structures‘ surfaces is either in phase (symmetric) or shifted by a phase angle of π (antisymmetric). In this work, a method is developed to compare the surfaces‘ oscillation phase relation. It is based on the evaluation of time signals regarding the instantaneous phase angle using the continuous wavelet transformation and as a comparative method the short-time Fourier transformation. For this purpose, numerical simulations utilizing the finite element method provide time signals from the top and bottom surface of different thin-walled structures. They differ with respect to their material settings and laminate configurations. The numerically obtained time signals are evaluated by the developed methods. The occurring oscillation phase differences on the top and bottom surface are studied and both methods are compared. Subsequently, the oscillation phase is evaluated experimentally for the wave propagation in a fiber metal laminate. It is shown that the method based on the continuous wavelet transformation is suitable for the evaluation of oscillation phase relations in time signals. Additionally, it is proven that fiber metal laminates show only two phase relations which indicates the occurrence of Lamb waves.

The most widely spread and neglected zoonotic disease – Leptospirosis, with an estimated 1.03 million cases and 58,900 deaths occurring annually, is a concern and can be prevented only by effective immunization. Due to the urgent need for a novel vaccine, various research organizations have been evaluating the protective immune response elicited by recombinant vaccines. In this study amino-acid sequences of Outermembrane protein (OMPL) 1, LipL 32, 41 and 46 from ten pathogenic serovars of Leptospira were selected to obtain epitopes that induce CD4+ and CD8+ T cell responses by binding to the MHC molecules. These B cell and T cell epitopes were used to design multi-epitope vaccine to which an adjuvant sequence was added at the N-terminal end and appropriate linkers were used to join the different epitopes to increase the efficiency of the vaccine constructs. Using an immuno-informatics approach, constructs were analyzed for the physiochemical properties, secondary and tertiary structure and its validation, docking with different receptors and prediction of binding affinity for each docked complex, followed by molecular dynamics simulation. Taking in consideration all the results, multi-epitope constructs designed may prove to be promising vaccine candidates against Leptospirosis and warrants experimental validation.

We study in this work a dilute granular gas immersed in a thermal bath made of smaller particles with nonnegligible masses as compared with the granular ones. The kinetic theory for this system is developed and described by an Enskog--Fokker--Planck equation for the one-particle velocity distribution function. Granular particles are assumed to have inelastic and hard interactions, losing energy in collisions as accounted by a constant coefficient of normal restitution. The interaction with the thermal bath is based on a nonlinear drag force plus a white-noise stochastic force. To get explicit results of the temperature aging and steady states, Maxwellian and first Sonine approximations are developed. The latter takes into account the coupling of the excess kurtosis with the temperature. Theoretical predictions are compared with direct simulation Monte Carlo and event-driven molecular dynamics simulations. While good results for the granular temperature are obtained from the Maxwellian approximation, a much better agreement, especially as inelasticity and drag nonlinearity increase, is found when using the first Sonine approximation. The latter approximation is, additionally, crucial to account for memory effects like Mpemba and Kovacs-like ones.

This work investigates how integrated polyimide inlays with applied sensor bodies influence the guided ultrasonic wave propagation in narrow glass fiber-reinforced polymer specimens. Preliminary numerical simulations indicate that in a damping-free specimen, the inlays show reflections for the S0-mode propagation. Hence, an air-coupled ultrasonic technique and a 3D laser Doppler vibrometer measurement are used to measure different parts of the propagating waves’ displacement field after burst excitation at different frequencies. No significant reflections on the inlay can be seen in the experiments. However, it is shown that the reflections from the strip specimen’s narrow width cause periodical reflections that superimpose with the excited wave fronts. A continuous wavelet transformation in the time-frequency domain filters discontinuities from the measurement signal and is used for reconstruction of the time signals. The reconstructed signals are used in a spatial continuous wavelet transformation to identify the occurring wavelengths and hence to prove the assumption of reflections from the narrow edges. Since the amplitude of the reflections identified in the numerical data at the polyimide inlays are an order of magnitude smaller than the excited wave packages, it is concluded that material damping of the epoxy resin matrix extincts possible reflections from the inlays.

Nuclear technologies have the potential to play a unique role delivering low carbon energy for a future net-zero society. However, for the long-term success, nuclear will need to deliver innovative solutions as proposed in iMAGINE. One of the key challenges for the envisaged highly integrated nuclear energy system is the need for a demand driven salt clean-up system. The work described provides an insight into the interplay between a potential salt clean-up system and the reactor operation in a dynamic approach. The results provided will help to optimize the parameters for the salt clean-up process by delivering a dynamically calculated priority list identifying the elements with high influence on reactor operation. The integrated model is used to investigate the ideal time for the initiation of the clean-up as well as the effect of different throughput through the clean-up system on criticality as well as on the concentration of the elements in the reactor salt. Finally, a staggered approach is proposed with the idea to phase in the chemical clean-up processes step by step to keep the reactor critical. The results provide an essential step for the progress of iMAGINE as well as the basis for the inter disciplinary work required to bring iMAGINE into real operation.

During mechanical ventilation, a disparity between flow, pressure or volume demands of the patient and the assistance delivered by the mechanical ventilator often occurs. Asynchrony effect and ventilator performance are frequently studied from ICU datasets or using commercially available lung simulators and test lungs. This paper introduces an alternative approach of simulating and evaluating patient-ventilator interactions with high fidelity using the electro-mechanical lung simulator xPULM™ under selected conditions. The xPULM™ approximates respiratory activities of a patient during alternating phases of spontaneous breathing and apnoea intervals while connected to a mechanical ventilator. Focusing on different triggering events, volume assist-controlled (V/A-C) and pressure support ventilation (PSV) modes were chosen to test patient-ventilator interactions. In V/A-C mode a double-triggering was detected every third breathing cycle leading to an asynchrony index of 16.67%, being classified as severe. This asynchrony causes a major increase of Peak Inspiratory Pressure PIP = 12.80 ± 1.39 cmH2O and Peak Expiratory Flow PEF = -18.33 ± 1.13 L/min when compared to synchronous phases of the breathing simulation. Additionally, events of premature cycling were observed during PSV mode. In this mode, the peak delivered volume during simulated spontaneous breathing phases almost doubles compared to apnoea phases. The presented approach demonstrates the possibility of simulating and evaluating disparities in fundamental ventilation characteristics caused by double-triggering and premature cycling under V/A-C and PSV ventilation modes. Various dynamic clinical situations can be approximated and could help to identify undesired patient-ventilation interactions in the future. Rapidly manufactured ventilator systems could also be tested using this approach.

Direct yaw moment control (DYC) is an effective way to alter the behaviour of electric cars with independent drives. Controlling the torque applied to each wheel can improve the handling performance of a vehicle making it safer andfaster on a race track. The state-of-the-art literature covers the comparison of various controllers (PID, LPV, LQR, SMC, etc.) using ISO manoeuvres. However, more advanced comparison on important characteristics of the controllers performance is missed, such as the robustness of the controllers under changes in the vehicle model, steering behaviour, use of the friction circle and, ultimately, lap time on a track. In this study, we have compared the controllers according to some of the aforementioned parameters on a modelled race car. Interestingly, best lap times are not provided by perfect neutral or close-to-neutral behaviour of the vehicle, but rather by allowing certain deviations from the target yaw rate. In addition, a modified PID controller showed that its performance is comparable to other more complex control techniques such as MPC.

In Differentiated Services (DiffServ) architecture, Priority Service System (PSS) plays a vital responsibility to provide Quality-of-Service (QoS) for the applications based on networks. Priority queuing systems has always been a subject of interest for analytical modelling and evaluating the performance. However, previous works have mainly focused on performing priority queuing under range dependent traffics, namely Short Range Dependent (SRD) or Long Range Dependent (LRD). Recent studies revealed that realistic traffic demonstrates a heterogeneous nature for the modern networks that provide multiple services. In this paper, the results of analytical and simulation models of dynamic priority service systems is reviewed to study the heterogeneous traffic impact on designing and performance of the systems based on networks. In this paper, the results of analytical and simulation models of dynamic priority service systems is reviewed to investigate the impact of heterogeneous traffic on the design and performance of network-based systems. Here, the time of presence of requests in limited and unlimited buffer system is restricted. If the restriction is violated, the requests will be lost. The results of experiments conducted on both models are compared and it is identified that they differ in the allowable limit (2-9) %.