It is imperative to examine the performance of wind turbines both in steady and unsteady states due to their significant role in generating renewable energy by utilizing wind power. The computational fluid dynamics method (CFD) is one of the most efficient tools in this field, and the unsteady state has a great deal of importance when predicting turbine performance. Using the CFD method, the hydrodynamic performance of two types of offshore and onshore horizontal-axis wind turbines in the unsteady state was examined. Offshore wind turbines were modeled using the SST turbulence model and onshore wind turbines were modeled using the large eddy simulation (LES). Three-dimensional results of the simulation were compared and validated with experimental results, and good agreement between the two results indicates that the assumptions and method were accurate. Vortices were also studied in relation to the blade tip and their formation and development. Increasing the number of blades results in a reduction in torque, as well as a rise in vortices caused by the tips of the rotor blades. Due to the intensity of turbulence, the distribution of pressure on the surfaces will become irregular as the wind speed increases.

Controlling injection parameters is paramount when it comes to producing high-quality green parts using powder injection molding. This work combines experimental and numerical approaches to study the impact of injection parameters on mold in-cavity pressure and on the overall quality of green parts produced by low-pressure powder injection molding. The properties of two low-viscosity feedstocks (formulated from a water-atomized stainless-steel powder and wax-based binder system) were measured and implemented in an Autodesk Moldflow numerical model to quantify the molding pressures, which were finally validated using experimental real-scale injections. The results confirmed that an increase in mold temperature, an increase in feedstock temperature, and a decrease in solid loading decrease the mold in-cavity pressure, which was correlated with the feedstock viscosity. As a key result, real-scale injections confirmed that a minimum flow rate was required to avoid atypical high in-cavity pressure leading in several visual defects such as weld lines, flow marks, cracks, sinks, and incomplete filling. Due to differences in its thermal transfer properties, this flow rate threshold value decreases as the feedstock solid loading increases. For injection speeds higher than this value, the injection pressure measured experimentally was linearly correlated with the injection flow rate.

The extraction of roof feature lines is an important foundation for realizing large-scale and batch 3D modeling. However, the current traditional point cloud segmentation algorithms do not have satisfactory results in extracting roof feature lines of Chinese traditional residential buildings. In this paper, taking Jingping Village in Western Hunan as an example, we propose a method that combines multiple algorithms based on slope segmentation of roof patches to extract feature lines. Firstly, VDVI and CSF algorithms are used to extract the building and roof point cloud based on the MVS point cloud. Secondly, according to roof features, village buildings are classified, and 3D roof point cloud is projected into 2D regular grid data. Finally, the roof slope is segmented via slope direction, and internal and external feature lines are obtained after refinement through Canny edge detection and Hough straight line detection. Results reveal that this method effectively extracts feature lines of low-building roofs in traditional villages, with slope-based roof surface segmentation accuracy surpassing 99.6%. This method significantly outperforms the RANSAC algorithm and region segmentation algorithm.

BMAP-27 peptide known to exert cytotoxic effects against cancer cells by membrane integrity disruption. In the current investigation, we aimed to study the role of the BMAP-27 peptide in reducing colon cancer cell proliferation and inducing apoptosis. This study utilized both primary and metastatic colon cancer cell lines (SW480 and SW620). Proliferation was measured using CCK-8, and cellular damage was analyzed by lactate dehydrogenase assay. The study assessed apoptosis, cell cycle, and proliferation by measuring the expression of CASPASE3, BAX, BCL-2, TP53, CDK-6, PCNA, Wnt11, AXIN1, and CTNNB1. Additionally, in-silico studies were conducted to determine the binding affinities of BMAP-27 with APC and β-catenin proteins. BMAP-27 peptide reduced colon cancer cell proliferation, upregulated CASPASE3, BAX, TP53, AXIN1 expression, and downregulated BCL-2, CDK-6, PCNA, WNT11, CTNNB1 in both colon cancer cell lines, however, demonstrated higher activity in primary than metastatic colon cancer cells. The molecular dynamic simulation revealed substantial binding affinity of the peptide to adenomatous polyposis coli and β-catenin proteins.BMAP-27 peptide effectively inhibited the proliferation and enhanced apoptosis in the primary than in metastatic colon cancer cells. In-silico findings suggest that BMAP-27 exhibits a strong binding affinity with APC and β-catenin, highlighting its potential role as an anti-colon cancer agent.

In recent years discrete element method (DEM) has gradually been applied to the traditional fluidization simulation of fine particles in micro fluidized bed (MFB). The application of DEM in simulating fast fluidization of fine particles in MFB has not yet received attention. This article presents a drag model that relies on the surrounding environment of particles, namely particle circumstance-dependent drag modle or PCDD model. Fast fluidization in MFB of fine particles is simulated using DEM based on the PCDD model. It is found that the gas-solid two-phase flow in MFB meets the common law of fast fluidization in circulating fluidized bed (CFB) to a certain extent, and also presents a special law that is significantly different from that in CFB. Simulations indicate that the local structure in MFB exhibits particle aggregation which is a natural property of fast fluidized, forming a structure where continuous dilute phase and dispersed concentrated phase coexist. The formation and fragmentation of particle clusters in different local regions of the bed have time synchronization. There exists strong effect of solid back-mixing in MFB, leading to relatively low outlet solid flux. The gas back-mixing effect is, however, not so distinct. The axial porosity shows a monotonically increasing distribution with the bed height, but does not strictly follow the single exponential distribution. The solid volume fraction at the bottom of the bed is significantly lower than the correlated value in CFB. The axial heterogeneous distribution of the cross-sectional average porosity in the lower half of the bed is also weakened. The radial porosity shows a distribution pattern of higher in the central region and lower in the sidewall region. Compared with the correlation results in CFB, the porosity near the central region in MFB is relatively low, while the porosity near the sidewall region is relatively high. The geometric size of the container, especially the radial size, is much smaller than that of a CFB. The relative area of contact between the MFB wall and particles is larger, and the wall friction factor becomes more significant. This may be the main reason for the time synchronization of particle agglomeration, severe particle back-mixing, low outlet solid flux, monotonically increasing axial porosity and weak core-annular structure of radial porosity.

This work focused on proposing a plan for improvement and control of the customer service process in a customer service center, based on a waiting line analysis where it describes all the elements that interact in the system and a statistical analysis of processes to define the state in which it operates. Subsequently, the simulation of processes is applied to represent the system studied, and with it, to be able to evaluate different strategies for improvement and increase in productivity. The following strategies were evaluated: correction of the instability of customer service processes, establishment of new specification limits according to the promise of value to be fulfilled to customers, human resource management, administrative technical support. Finally, with the results obtained from the simulation of the system, the improvement and productivity increase plan is planned according to the DMAMC (Define, Measure, Analyze, Improve, Control, or DMAIC) continuous improvement cycle established in six sigma

Shape Memory Polymer (SMP) actuators are smart materials that adapt and switch shape in response to environmental conditions, allowing controlled and dynamic building systems. The integrated SMP strip enabled the adaptive facade shading system to operate independently and with flexibility under certain thermoresponsive conditions to regulate building performance. This study aims to improve adaptive façade performance in a hot-humid climate by determining optimal thermal activation factors for the shape memory polymer. This was achieved by comprehensively examining and analysing the impact of various SMP activation parameters on energy efficiency, thermal comfort, and visual comfort. In addition, dynamic IES-VE building energy simulation was used to evaluate the thermal performance of the adaptable facade. The results were validated using a multicriteria approach to compare with the existing glass façade of a high-rise apartment. The results showed that the coactivation technique, which combines solar radiation and air temperature triggers, proved to be the most efficient strategy to improve the performance of the adaptive façade. This strategy minimised heat gain, lowered indoor temperatures, reduced glare, and enhanced daylight comfort, resulting in notable energy savings through reduced cooling consumption. The study concluded that the utilisation of SMP actuators with fine-tuning activation parameters significantly optimised adaptive façade performance, promoting functionality, efficiency, and sustainability in buildings.

Traditional numerical techniques such as sliding mesh, dynamic grid mesh, and others, have many limitations in dealing with flow simulation with large-scale movement of solid boundaries; which is the case for complex-shaped hydraulic turbomachinery such as propellers, pumps and turbines. The immersed boundary (IB) method provides a new approach to solve the above limitations. Therefore, this study proposes an sharp-interface IB method based on the level-set function that is suitable for simulating the flow through turbomachinery with complex geometries. This method is applied to actual three-dimensional numerical simulations of high-Reynolds number propellers using an in-house computational fluid dynamics solver. The results show that the proposed method can provide comparatively accurate predictions of unsteady load coefficients within the propeller flow passage, and capture the correct propeller wake characteristics as well as the interaction between the propeller wake and free surface. This study aims at providing a theoretical basis and engineering reference for the application of the IB method in engineering numerical simulations.

Polymethyl methacrylate (PMMA) polymer is widely used in various fields today. In order to thoroughly reveal the structural impact performance of PMMA materials, this paper is based on the comprehensive Johnson-Cook constitutive model and damage failure model, and accurately confirm the J-C constitutive and damage failure model parameters of PMMA through material test data, The dynamic process of steel bullet impacting PMMA plate structure is analyzed by finite element software ABAQUS. The calculation results show that the numerical simulation results in this paper are in good agreement with the experimental test data. Therefore, the feasibility and accuracy of the impact analysis of PMMA structures based on J-C constitutive and damage failure models in this paper are studied. Finally, based on the J-C constitutive model and damage failure model, the variation of the residual velocity of the bullet with the PMMA plate thickness is analyzed in depth, that is, the results show that the residual velocity of the bullet has a certain linear relationship with the plate thickness.

This paper presents a comparison of two methods to represent variable blade inertia in two codes for aero-servo-elastic simulations of wind turbines: the nonlinear aeroelastic multi-body model HAWC2 and the nonlinear geometrically exact beam model BeamDyn for OpenFAST. The main goal is to enable these tools to simulate the dynamic behavior of a wind turbine with variable blade inertia. However, in order to simulate the structural response of wind turbines with variable blade inertias, the source code of load simulation tools need to be modified. This is due to the fact that, currently, state-of-the-art load simulation tools for wind turbines are unable to simulate variable rotor blade inertias. The validity of the modified codes is proven based on a simple beam model. The validation shows very good agreement between the modified codes of HAWC2, BeamDyn and an analytical calculation. The add-on of variable blade inertias is applied to reduce the mechanical loads of a 5 megawatt reference wind turbine with an integrated hydraulic-pneumatic flywheel in its rotor blades.

Sowing accuracy is a critical factor in evaluating the precision of sowing equipment, and the sowing rate of the sowing equipment developed at home and abroad cannot reach 100 %, so this paper designs a seed reseeding device, aiming to improve the sowing rate secondly. Firstly, the structural composition of the seed reseeding device is introduced; secondly, according to the production object selected in this paper, kale seed (Jingfeng No.1), the best combination of factors and levels of the suction nozzle is 8 m/s inlet speed, 1.8 mm aperture, 18 mm lead and V-shaped nozzle by using orthogonal experiment; then, the EDEM software was used to conduct the vibration test, and it was found that the seed group “boils” steadily at about 15.13 mm (the depth of the reseeding tray is 23 mm), which can effectively improve the suction rate of the suction nozzle; finally, by combining the simulation results of the flow field using Fluent/ANSYS software and the spatial distribution of seeds, the number of seeds in the effective adsorption range of a single suction nozzle is about 4. The determined number of seeds, approximately 4, accounts for only 0.04% of the total number of seeds generated by the simulation. This percentage ensures high suction precision and a single seed rate, particularly under working conditions where a 72-hole tray is being sowed. In general, domestic sowing accuracy ranges from 90% to 95%. With this configuration, the purpose of improving the sowing rate twofold can be achieved.

To effectively estimate airport terminal area capacity and assess the maximum throughput the sector can achieve when the capacity is given, this research proposes an approach to assess the terminal area capacity from the viewpoint of service provision resources. Terminal area capacity is optimized based on the equilibrium of air traffic service resource supply and demand. The supply-demand nexus is examined in consideration of terminal area route structure, traffic flow characteristics, and safety regulations. A flight service probability matrix and a terminal area demand and supply service time model are constructed to quantify resource expenditure at varied capacity levels. A optimization model is then developed to apportion maximal capacity under resource limitations. Model computation and computation results demonstrate the deviation between estimated and amended capacities is under 0.3 flight sorties per hour. The outcomes are congruent with historical statistics, thereby validating the accuracy and reliability of the model proposed in this study. Given capacity parameters, the model can deduce the maximal aircraft quantity served concurrently in terminal areas during peak periods. These revelations indicate the submitted model furnishes theoretical foundation and reference for terminal area sector partition and traffic alerting.

In econometrics and finance, volatility modelling has long been a specialised field for addressing a variety of issues pertaining to the risk and uncertainties of an asset. This study presents a robust framework, through a step-by-step design, that is relevant for effective Monte Carlo simulation (MCS) with empirical verifications to estimate volatility using the Generalized Autoregressive Score (GAS) model. The framework describes an organised approach to the MCS experiment that includes "background (optional), defining the aim, research questions, method of implementation, and summarised conclusion". The method of implementation is a workflow that consists of writing the code, setting the seed, setting the true parameter a priori, data generation process, and performance assessment through meta-statistics. Among the findings, it is experimentally demonstrated in the study that the GAS model with a lower unconditional shape parameter value can generate a dataset that adequately reflects the behaviour of financial time series data, relevant for volatility estimation. This dynamic framework is intended to help interested users on MCS experiments utilising the GAS model for reliable volatility calculations in finance and other areas.

A simulation test system for the two-dimensional (2D) fuze overload loading process was designed to address the loading issues of recoil overload and centrifugal overload in fuze safety and arming (S&A) devices. By incorporating centrifuge rotation energy storage, impact acceleration simulation, and equivalent centrifugal rotation simulation, a block equipped with a fuze S&A device was accelerated instantly upon being impacted by a centrifuge-driven impact hammer, simulating recoil overload loading. The impact hammer was retracted instantaneously by adopting an electromagnetic brake, which resulted in the centrifugal rotation of the block around its track, to simulate the centrifugal overload loading. The dynamic equations of the simulation test system and the equations of impact hammer motions were established, whereby the rotation speed of the centrifuge and the braking force of the electromagnetic brake were calculated and selected. A dynamic model of the collision between the impact hammer and block was established using ANSYS/LS-DYNA software for simulation analysis. The acceleration curves of the recoil overload and centrifugal overload with variations in the centrifuge speed, cushion material, and buffer thickness were obtained, which verified the feasibility of the proposed loading simulation method. 2D overload loading simulation tests were performed using the developed simulation system, and the acceleration curves of the recoil overload and centrifugal overload were measured. The test results indicated that the proposed system can accomplish 2D overload loading simulations for a recoil overload of several 10000 g and centrifugal overload of several 1000 g.

Road intersections are made of asphalt pavement, a popular road surface material used worldwide. The pavement may suffer deformities and deterioration, resulting in higher maintenance expenses and an elevated likelihood of road accidents, due to factors such as heavy vehicles and environmental variables like temperature and rainfall. To tackle these obstacles, researchers have devised several machine-learning algorithms and optimization techniques. These tools aim to forecast and scrutinize pavement deformation, with the goal of refining pavement design and maintenance approaches, as well as obtaining a more comprehensive comprehension of the factors that impact pavement effectiveness. This paper shows that heavy vehicles contribute significantly more to road erosion, and the retention and braking of vehicles greatly impact roadways. We also emphasize the statistical errors computed on the actual data range and demonstrate the results of the multilayer perceptron (MLP) model. The MLP model used the lath erosion standard to simulate future impact. Even though the model given is based on a small sample of data from one intersection, its estimates for road erosion in a year were found to be accurate when contrasted to real data. Controlling traffic flow can significantly improve road conditions, reducing erosion decay by reducing the time spent at intersections and other parameters. We conclude that machine learning can help control traffic flow, which can significantly improve road conditions, reducing vehicle time stretches at intersections.

Solar energy is a renewable and sustainable source of energy, and it has been used in addition of specified technologies, such as solar cooling. The demand for cooling continues to increase in line with environmental changes and a greater desire for human comfort. This study primarily aimed to analyze the performance of an evaporative cooling system powered by solar energy and assess the economic and environmental impact of this system. In this system, hot, dry incoming air is used to evaporate water, thus transforming part of its sensitive heat into latent heat without any variation in enthalpy or total heat. The outputted air then has a lower temperature and a greater humidity, thus providing a more comfortable, healthier environment for its users. To achieve this study’s objectives, numerical code was developed and implemented in MATLAB. The obtained results reveal that the efficiency of the evaporative cooler exceeds 90%, with maximum efficiency being reached at a high wet-bulb depression, while minimum efficiency was observed when the dry air has a high relative humidity and a low dry-bulb temperature.

This research investigated the antihypertensive effects of tamarind products and compared their potentials based on their animal model’s data verified by molecular docking, multitarget interactions in network pharmacology, and dynamic simulation assays. The GC-MS characterized tamarind products were administered to the cholesterol-induced hypertensive Wistar albino rat models. Two-week-intervened animals were dissected to collect serum and organs which were respectively subjected to the analyses of hypertension-linked markers and tissue architectures. Lead biometabolites of tamarinds interacted with eight target receptors in molecular docking and dynamic simulation studies and they were tested for multitarget interactions using network pharmacological analyses. Results showed that serum alanine aminotransferase (ALT), aspartate aminotransferase (AST), alkaline phosphatase (ALP), C-reactive protein (CRP), Troponin I, and lipid profiles were maximally reinstated by the phenolic-enriched ripened sour over the sweet tamarind flesh extracts, but seed extracts had a smaller influence. Among the tamarind’s biometabolites, Gamma-sitosterol (ϒ-sitosterol) was found to be the best ligand in managing hypertension via the possible ligand-receptor interactions with the guanylate cyclase which displayed the best drug-likeliness through the highest binding energy -9.3 Kcal. Multitargeted interactions-based degree algorithm and phylogenetic tree of pathways showed 14 targeted genes, of which NR3C1, REN, PPARG, and CYP11B1 hub genes, were consistently modulated by the ϒ-sitosterol to reduce hypertension and related risk factors. The dynamic simulation study showed that the P-RMSD values of ϒ-sitosterol-guanylate cyclase were stable between 75.00 to 100.00 ns at the binding pocket. The findings demonstrate that ripened sour tamarind extract may be supplemented to be a more prospective antihypertensive target or nutraceuticals affirming through advanced preclinical and clinical studies.

Home care centers face both an increase in demand and many variations during the execution of routes, compromising the routes initially planned: robust solutions are not effective enough, it is necessary to move on to resilient approaches. We create a close to reality use case supported by interviews of staff at home health care centers, where caregivers are faced with unexpected events that compromise their initial route. We model, analyze and compare three resilient approaches to deal with these disruptions: a baseline approach without any collaboration, a distributed collaborative approach, and a centralized collaborative approach, where we propose a centralization and sharing of information to improve local decision-making. The latter reduces the number of late arrivals by 11% and the total time of late arrival by 21%, and also halves the number of routes exceeding the end of work time (contrary to the distributed collaborative approach, due to the time wasted reaching colleagues). The use of a device, such as a smartphone application, to centralize and share information thus allows better mutual assistance between caregivers. Moreover, we highlight several possible openings like the coupling of simulation and optimization to propose a more resilient approach.

The adsorption of proteins on polymer is widely used in biosensors. Here, molecular dynamics (MD) simulation was used to study the immobilization of angiotensin converting enzyme II (ACE2) with six initial orientations proposed on polystyrene (PS) at the ambient conditions of pH (4.5, 6, 7, 8, 9.5) and NaCl (0.01, 0.05, 0.1, 0.15, 0.2, 0.25 M). ACE2 immobilization under favorable ambient conditions was characterized by minimum distance (short), settlement time (fast), interaction energy (substantial) and protein configuration (stable). ACE2 orientations proposed in 0.15M NaCl were respectively preferable to (90, 0, 0), (0, 0, 0) and (0, 270, 0), (180, 0, 0) and (0, 90, 0), (90, 0, 0) at pH 4.5, 6, 7, 9.5. ACE2 immobilization was further evaluated at pH 7 by optimizing NaCl concentration. Its proposed orientations of (i) (0, 270, 0), (ii) (0, 0, 0) and (90, 0, 0), and (iii) (0, 90, 0) and (90, 0, 0) were preferable in 0.05, 0.1 and 0.2 M NaCl, respectively. The great significance of cubic-orientation settlement mode provides tangible improvement for the microfabrication of biochips for rapid diagnosis of severe acute respiratory syndrome coronavirus II (SARS-CoV-2).

In response to the new concept of the impact of total climate production factors on plant phenology, this study will verify the feasibility of simulating plant phenology and triggering thresholds based on total climatic production factors by using the phenological and meteorological observation data of S. krylovii plant from 1985 to 2018 at the Xilinhot National Climate Observatory of China Meteorological Administration. The results indicate that the total climate production factors influencing plant phenological changes can be well used for phenological simulation and its triggering thresholds. The mutation of cumulative climate production potential based on total climate production factors can effectively indicate the green-up date and the wilting date of S. krylovii plant, and their triggering thresholds depend on the parameters of climate resource change and plant biology, which are (0.085, –5.363) and (0.086, –27.620), respectively. The cumulative climate production potential based on total climate production factors can effectively indicate the heading date of S. krylovii plant, and its triggering thresholds also depends on the parameters of climate resource change and plant biology, which is (394.632，–38026.268). Furthermore, the results support the viewpoint that the climate abrupt changes determine the beginning and the ending of plant growth, while the accumulative climate resources determine the other phenological dates. This study provides new ideas for the study of plant phenology.

This study aimed to establish and verify the validity of an acoustic simulation method during sustained phonation of the Japanese vowels /i/ and /u/. The study participants were six healthy adults. First, vocal tract models were constructed based on computed tomography (CT) data, such as the range from the frontal sinus to the glottis, during sustained phonation of /i/ and /u/. Next, cylindrical shapes virtually extended by 12 cm were added to the vocal tract models to imitate the trachea between the tracheal bifurcation and lower part of the glottis. The Kirchhoff–Helmholtz integral equation was formulated as the wave equation for sound propagation, and the boundary element method was used for discretization. As a result, the relative discrimination thresholds of the vowel formant frequencies for /i/ and /u/ against actual voice were 1.1%–10.2% and 0.4%–9.3% for the first formant and 3.9%–7.5% and 5.0%–12.5% for second formant, respectively. In the vocal tract model with nasal coupling, a pole–zero pair was observed at around 500 Hz, and for both /i/ and /u/, a pole–zero pair was observed at around 1000 Hz regardless of the presence or absence of nasal coupling. These findings demonstrated that /i/ and /u/ could be simulated with high validity in a vocal tract model constructed from CT data obtained during sustained phonation using the boundary element method.

The transportation sector is a significant source of greenhouse gas emissions. Electric vehicles (EVs) have gained popularity as a solution to reduce emissions, but the high load of charging stations poses a challenge to the power grid. Nuclear-Renewable Hybrid Energy Systems (N-RHES) present a promising alternative to support fast charging stations, reduce grid dependency, and decrease emissions. However, the intermittent problem of renewable energy sources (RESs) limits their application, and the synergies among different technologies have not been fully exploited. This paper proposes a predictive and adaptive control strategy to optimize the energy management of N-RHES for fast charging stations, considering the integration of nuclear, photovoltaics, and wind turbine energy with a hydrogen storage fuel cell system. The proposed dynamic model of a fast-charging station predicts electricity consumption behavior during charging processes, generating probabilistic forecasting of electricity consumption time-series profiling. Key performance indicators and sensitivity analyses illustrate the practicability of the suggested system, which offers a comprehensive solution to provide reliable, sustainable, and low-emission energy to fast-charging stations while reducing emissions and dependency on the power grid.

Air conditioners are indispensable necessities in daily life and industrial production. However, the heat generation of their internal core power components can limit their performance release. In this work, we explore the application of thermoelectric coolers (TECs) in the field of power device heat dissipation through finite element simulation. First, we geometrically modeled the structure and typical operating conditions of core power devices in air conditioners. We compared the temperature fields in air cooling and TEC active cooling modes for high power consumption power devices in a 319 K operating environment. The simulation results show that in the single air cooling mode, the maximum temperature of the 173.8 W power device reaches 394.4 K and the average temperature reaches 373.9 K, which exceeds its rated operating temperature of 368.1 K. However, after adding TEC, the maximum temperature of the power device drops to 331.8 K at an operating current of 7.5 A and the average temperature of the device is 326.5 K. It indicates that TEC active cooling has a significant effect on the temperature control of the power device. At the same time, we also studied the effect of TEC working current on the temperature control effect of power devices. For TEC, there is a minimum working current of 5 A; when it is less than 5 A, TEC has no cooling effect; the cooling effect of TEC increases with an increase in working current. When the TEC working current is 10 A, the average temperature of the power device can be reduced to 292.9 K. This study has made a meaningful exploration of the application of TEC in chip temperature control and heat dissipation, providing a new solution for chip thermal management and accurate temperature control.

A real-time flight simulation tool is proposed using a Virtual Reality Head-Mounted Display (VR-HMD) for airships operating in beyond the line-of-sight (BLOS) conditions. Particularly, the VR-HMD is developed for stratospheric airships flying at low/high altitudes. The proposed flight simulation tool uses the corresponding aerodynamics characteristics of the airship, the buoyancy effect, mass balance, added mass, propulsion contributions and ground reactions in the FlightGear Fight Simulator (FGFS). The VR headset has been connected to the FGFS along with the radio controller containing the real-time orientation/state of each button that is also simulated to provide better situational awareness and a Head-Up Display (HUD) that has been developed to provide the required flight data. In this work, a system was developed to connect the FGFS and the VR-capable graphics engine, Unity, to a PC and a wireless VR-HMD in real-time with minimal lag between data transmission. A balance was found for FGFS to write to a CSV file at a period of 0.01s. For Unity, the file was read every frame which translates to around 0.0167s (60 Hz). A test procedure was also conducted with a similar rating technique based on the NASA TLX questionnaire that identifies the pilot’s spare mental capacity when completing an assigned task to assure the comfortability of the proposed VR-HMD. Accordingly, a comparison has been made for the aircraft control using the desktop simulator and the VR-HMD tool. Results, showed that the current iteration of the system is ideal to train pilots on using similar systems in a safe and immersive environment. Furthermore, such an advanced portable system may even increase the situational awareness of pilots and allow them to complete a sizeable portion of actual flight tests with the same data transmission procedures in simulation. The resulting VR-HMD flight simulator is also conceived to express the ground control station (GCS) concept and transmit flight information as well as the point of view (POV) visuals in real-time using the real environment broadcasted using an onboard camera.

In Lubumbashi, the capital of Haut Katanga in the Democratic Republic of the Congo (DR Congo), diesel power plants are a common source of electricity. The need to utilise local renewable energy sources in DR Congo has increased due to the unreliability of the state grid and the rising cost of running Diesel generators. Solar photovoltaic (PV) panels and batteries, in particular, have recently seen significant price drops. Therefore, it is important for operators and suppliers to choose optimal generators together with a renewable energy system to lessen the energy deficit. Diesel generators are still widely used in DRC, but their efficiency pales in contrast to that of more recent power facilities. Consuming fossil fuels results in high expenses for upkeep and operation, in addition to severe environmental damage. This study assessed the feasibility of using local weather and technical data to evaluate the efficiency of a diesel power plant hybridized with a PV system. Hybrid Optimization Model for Electric Renewable (HOMER) simulations suggest that the hybrid system schedule is preferable due to its many economic and environmental advantages for the local community and its inhabitants. The promotion of such a hybrid system, then, may encourage the sustainable economic development of a stable source of electricity for the Congo Region.

Kinetic modeling is an essential tool in systems biology research, enabling the quantitative analysis of biological systems and predicting their behavior. However, the development of kinetic models is a complex and time-consuming process. In this article, we propose a novel approach called KinModGPT, which generates kinetic models directly from natural language text. KinModGPT employs GPT-3 as a natural language interpreter and Tellurium as an SBML generator. We demonstrate the effectiveness of KinModGPT in creating SBML models from complex natural language descriptions of biochemical reactions. KinModGPT successfully generates valid SBML models from a range of natural language model descriptions of metabolic pathways, protein-protein interaction networks, and heat shock response. This article demonstrates the potential of KinModGPT in kinetic modeling automation.

Solar cosmic rays (SCR) are generated during the primordial energy release in solar flares. This explosive process takes place in the solar corona above the active region. It represents fast release of the magnetic field energy of the current sheet, which is formed near a singular magnetic field line. Solar cosmic rays appear as a result of acceleration of charged particles, mainly protons, by an inductive electric field in the current sheet, equal to the field E=V´B/c near the current sheet. To study the mechanism of solar flares and obtain conditions for stydy SCR acceleration it is necessary to carry out magnetohydrodynamic (MHD) simulation of a flare situation in the solar corona above a real active region. The methods of stabilization were developed which made it possible to solve partially the problem of numerical instabilities. MHD simulations showed complicated configuration near the singular line. Comparison of the results of MHD simulations with observations showed a general agreement of the positions of the current sheets with regions of intense flare radiation. However, there are some problems with the details of such coincidences. The results show the possibility of improving the methods of MHD simulation in order to solve the arisen problems.

The second-order factor effect of burner optical ports and edge inter-matrices (EIM) and the first-order factor of pressure on the soot formation process and behavior of premixed sooting flames in a high-pressure burner are numerically investigated here. Three-dimensional computational fluid dynamics (CFD) simulations of a premixed flame C₂H₄/air at p = 1.01 and 10 bar using a one-step chemistry approach are first performed to justify the satisfied predictability of the prospective axisymmetric two-dimensional (2D) and one-dimensional (1D) simulations. The justified 2D simulation approach shows the generation of an axial vorticity around the EIM and axial multi-vorticities due to the high expansion rate of burnt gases at the high pressure of 10 bar. This leads to the development of axial multi-sooting zones, which are manifested experimentally by visible luminous soot streaks, and to the boosting of soot formation conditions of a relatively low-temperature field, < 1800 K, and a high mixing rate of gases in combustion around and above the EIM location. Nevertheless, a tolerable effect on the centerline soot volume fraction (f_V) profile, f_V < 3%, is manifested only at high heights above the burner of the atmospheric sooting flame C₂H₄/air ϕ = 2.1, and early at the high pressure of 10 bar of this flame, f_V < 10%. Enhancing the combustion process reactivity by decreasing the rich equivalence ratio of the fuel/air mixture and/or rising the pressure results in the prior formation of soot precursors, which shifts the sooting zone upstream.

Simulation-based education is a part of Intelligent Transportation Systems (ITS) education. The paper discusses the experimental success of using Virtual Reality (VR) technology in simulation-based ITS education to improve the quality of education while increasing immersion and motivation. The study documents the application of VR technology to a microscopic simulation model and the methodology to capture and evaluate student experiences. The study discusses findings and ways to improve the planned VR technology implementation in the ITS laboratory.

This short paper demonstrates that the galactic spiral equations developed from ROTASE model can be used to morphologically simulate the phyllotactic spiral-ring patterns of plants. It is also noticed during this project that although the numbers in the Fibonacci sequence dominate the phyllotactic numbers, there are still significant phyllotactic numbers are not in the Fibonacci sequence, however, most of those numbers are well fit into a Fibonacci sibling sequence starting with numbers 0 and 2. Many plants show the phyllotactic number pairs of 10-16, 16-26 and 26-42 from the Fibonacci sibling sequence, which is the second dominated sequence in the phyllotaxis.

Heme is located in the active site of proteins and has diverse and important biological functions, such as electron transfer and oxygen transport and/or storage. The distortion of heme porphyrin is considered an important factor for the diverse functions of heme because it correlates with the physical properties of heme, such as oxygen affinity and redox potential. Therefore, clarification of the relationship between heme distortion and the protein environment is crucial in protein science. Here, we analyzed the fluctuation in heme distortion in the protein environment for hemoglobin and myoglobin using molecular dynamics (MD) simulations and quantum mechanical (QM) calculations. We also investigated the protein structures of hemoglobin and myoglobin stored in Protein Data Bank and found that heme is distorted along the doming mode, which correlates with its oxygen affinity, more prominently in the protein environment than in the isolated state, and the magnitude of distortion is different between hemoglobin and myoglobin. This tendency was also observed in the results of MD simulations and QM calculations. These results suggest that heme distortion is affected by its protein environment and fluctuates around its fitted conformation, leading to physical properties that are appropriate for protein functions.

Deep eutectic solvents (DESs) are one of the most rapidly evolving types of solvents, appearing in a broad range of applications such as nanotechnology, electrochemistry, biomass transformation, pharmaceuticals, membrane technology, biocomposite development, modern 3D-printing, and many others. The range of their applicability continues to expand, which demands the development of new DESs with improved properties. To do so requires an understanding of the fundamental relationship between the structure and properties of DESs. Computer simulation and machine learning techniques provide a fruitful approach as they can provide predictions, reveal physical mechanisms and readily be linked to experiments. This review is devoted to the computational research of DESs and describes technical features of DES simulations and the corresponding perspectives on various DES applications. The aim is to demonstrate the current frontiers of computational research of DESs and discuss future perspectives.

Lack of due attention to the orientation of streets and establishment of urban blocks without regard for climatic characteristics and conditions of the environment have an adverse effect on thermal comfort in open urban spaces. Construction of new settlements without taking into account climatic requirements undermines thermal comfort for pedestrians and other users, especially in cold regions. Considering the coldness of the region under study and the significance of the orientation of streets in absorbing radiation and providing heat to outdoor urban spaces, this study investigates the effect of the orientation of streets on microclimatic comfort in one of the residential towns of Hamadan City in Iran. For this purpose, microclimate simulation was performed using ENVI-met software. A residential block with four different orientations (the most common orientations of its surrounding buildings) were simulated in the coldest day of winter and the hottest day of summer. The results suggest that streets have different thermal behavior in different orientations. Orientation affects mean radiant temperature (Tmrt), the duration of exposure to direct sunlight, wind speed, and physiological equivalent temperature (PET), which are all important factors in thermal comfort. Based on these findings, north-south streets in Hamedan receive more radiant temperature during winter compared to other simulated orientations and provide more desirable thermal comfort. The average PET value on a winter day at a point on the north-south passage was 4.5-8 °C warmer than other orientations. In summer, streets with intercardinal orientations (i.e., northeast-southwest and northwest-southeast) provided the lowest PET (about 2 °C cooler than other orientations) and better thermal comfort

The energy transfer process of laser selective melting is very complex. To study the effect of la-ser selective melting on the microstructure and properties of 18Ni-300 martensitic steel, ABAQUS was used to simulate the temperature of laser cladding 18Ni-300 martensitic steel at different time points and different laser power. The results show that the cross-section shape of the molten pool changes from round to oval With the increase of laser power, the higher the peak value of temperature time curve, the greater the temperature gradient; and the laser clad-ding experiment of 18Ni-300 martensitic steel was carried out, and the microstructure and me-chanical properties of the samples under different laser power were analyzed. The results show that with the increase of laser power, the grain size of the cladding layer becomes smaller and the microstructure becomes more compact; the hardness of the side surface of the sample is higher than that of the upper surface, and the tensile strength and elongation show a trend of first increasing and then decreasing.

The adoption of Pump as Turbines (PATs) both in small scale hydroelectric plants and water supply systems has brought different advantages, the most recognized being cost-effectiveness as compared to other hydroturbines. However, due to their lack of flow control ability, their intolerance to off-design operations constitutes one tough shortfall. Moreover, this technology’s newness leads to PAT flow dynamics still being ununderstood even to date. Therefore, this study intends to numerically investigate the mixed flow PAT’s pump mode flow dynamics for five operating conditions expanding from optimum (1QBEP) to deep part-load (0.41 QBEP) conditions. Moreover the effect of runner blade angle on the same has been investigated where three angles namely -2°, 0°, and 2° have been considered. PAT flow stability was found to deteriorate as the flow decreased, where associated pressure pulsation level worsened at different flow zones. In addition, the blade angle increase led correspondingly increasing flow unsteadiness and pressure pulsation levels, where the pulsation frequencies from rotor-stator interactions were dominant for most of flow zones. This study’s findings are of a crucial importance to both scientific and engineering communities as they contribute to thorough understanding of PAT flow dynamics.

Atomtronics is a relatively new subfield of atomic physics that aims to realize the device behavior of electronic components in ultracold atom-optical systems. The fact that these systems are coherent makes them particularly interesting since, in addition to current, one can impart quantum states onto the current carriers themselves or perhaps perform quantum computational operations on them. After reviewing the fundamental ideas of this subfield, we report on the theoretical and experimental progress made towards developing externally-driven and closed loop devices. The functionality and potential applications for these atom analogs to electronic and spintronic systems is also discussed.

In this article, a technology for producing wire and rod solder from 52In-48Sn alloy has been developed and investigated in the conditions of small-scale production. The use of direct extrusion of wire and rods instead of the traditional technology for producing solder, which includes pressing, rolling and drawing, can significantly reduce the fleet of required equipment. Using only a melting furnace and a hydraulic press, solder wires and rods can be produced in various sizes. Shortening the production cycle allows you to quickly fulfill small orders and be competitive in sales. The article developed a mathematical model of direct extrusion, which allows you to calculate: extrusion ratio, extrusion speed and pressing force. The results of modeling the process of extrusion of wire ∅2.00 mm and rods ∅8.0 mm made of 52In-48Sn alloy are presented. The temperature of the solder and the tool is simulation in software QForm based on the finite element method. Experimental results of manufacturing ∅2.0 mm solder wire and ∅8.0 mm rods are presented. The microstructure of the direct extruded solder is a eutectic of phases γ and β. Energy-dispersive X-ray spectroscopy (EDS) mapping of the 52In-48Sn alloy showed that the solder obtained by direct extrusion has a uniform distribution of structural phases. The developed technology can be used in the manufacture of wires and rods from other low-melting alloys.

One of the non-linear phenomena that affect high bandwidth and long reach communication systems is the non-linear phenomenon called four-wave mixing (FWM). Unfortunately, the simulation of such systems aiming to obtain their design parameter limitations require more time as the number of channels increases. In this paper, we propose a new high-performance computational model to obtain optimal design parameters in a multi san Dense Wavelength Division Multiplexing (DWDM) system, limited by FWM and the intrinsic Amplified Spontaneous Emission (ASE) noise of optical amplifiers employed in each segment. The simulation in this work provides a complete optical design characterization and compares the efficiency and speed improvement of the proposed parallelization model versus a previous sequential model. Additionally, an analysis of the computational complexity of parallel model is presented, where two parallel implementations are used. First, Open Multi−Processing (OpenMP), based on the use of a central, multi-core processing unit is used and secondly the Compute Unified Device Arquitecture (CUDA), which is based on the use of graphics processing unit. Results show that parallelism improves to up to 40 times the performance of the simulation when nested parallelization with CUDA is used, over de sequential method and up to 6 times compared with the implementation with OpenMP using 12 processors. Within our parallel implementation, it is possible to simulate with an increased number of channels, that was unpractical in the sequential simulation.

The transportation system has evolved into a complex cyber-physical system with the introduction of wireless communication and the emergence of connected travelers and connected automated vehicles. Such applications create an urgent need to develop high-fidelity transportation modeling tools that capture the mutual interaction of the communication and transportation systems. This paper addresses this need by developing a high-fidelity, large-scale dynamic and integrated traffic and direct cellullar vehicle-to-vehicle and vehicle-to-infrastructure (collectively known as V2X) modeling tool. The unique contributions of this work are (1) we developed a scalable analytical communication model that captures packet movement at the millisecond level; (2) we coupled the communication and traffic simulation models in real-time to develop a fully integrated dynamic connected vehicle modeling tool; and (3) we developed scalable approaches that adjust the frequency of model coupling depending on the number of concurrent vehicles in the network. The proposed scalable modeling framework is demonstrated by running on the Los Angeles downtown network considering the morning peak hour traffic demand (145,000 vehicles), running faster than real-time on a regular personal computer (1.5 hours to run 1.86 hours of simulation time). Spatiotemporal estimates of packet delivery ratios for downtown Los Angeles are presented. This novel modeling framework provides a breakthrough in the development of urgently needed tools for large-scale testing of Direct C-V2X enabled applications.

Microfluidic devices which integrate both rapid mixing and liquid jetting for sample delivery are an emerging solution for studying molecular dynamics via X-ray diffraction. Here we use finite element modelling to investigate the efficiency and time-resolution achievable using microfluidic mixers within the parameter range required for producing stable liquid jets. Three-dimensional simulations, validated by experimental data, are used to determine the velocity and concentration distribution within these devices. The results show that by adopting a serpentine geometry, it is possible to induce chaotic mixing, which effectively reduces the time required to achieve a homogeneous mixture for sample delivery. Further, we investigate the effect of flow rate and the mixer microchannel size on the mixing efficiency and minimum time required for complete mixing of the two solutions whilst maintaining a stable jet. In general, we find that the smaller the cross-sectional area of the mixer microchannel, the shorter the time needed to achieve homogeneous mixing for a given flow rate. The results of these simulations will form the basis for optimised designs enabling the study of molecular dynamics occurring on millisecond timescales using integrated mix-and-inject microfluidic devices.

At present, the drilling rig for deep seabed shallow strata is widely used in the exploration of ocean cobalt-rich crust resources and other fields, which not only can obtain solid core samples at a specific station, but the operation process is relatively safe. This paper mainly presents the structure and mechanism of mobile drilling rig in acquiring the seafloor cores (up to 1.5 m long). Based on the function of the AMESim software, the hydraulic propulsion system model of mobile drilling rig is established, which is the basis and core part of the mobile drilling rig. Moreover, the control methods of closed-loop and PID are respectively used to control the hydraulic propulsion system for simulation analysis. Through the comparison of simulation results, it is found that the PID control method is more convincing in verifying the design rationality of hydraulic propulsion system. In the simulation of the PID-controlled hydraulic propulsion system, the co-simulation technology of AMESim and Matlab/Simulink not only establishes the hydraulic model and control model, but also determines the relevant simulation parameters, which is helpful to improve the system simulation efficiency. In its verification deployment in the South China Sea, the mobile drilling rig has been operated for many times at different depths, and some cores have been successfully obtained. Furthermore, the mobile drilling rig has been used during the 55th Voyage of China Oceanic Scientific Expedition supported by China Ocean Mineral Resources R&D Association. Several sites were explored and a large number of cobalt-rich crust cores were obtained. The powerful theory and sea trails are provided to support for the further research on survey of the abyssal resource.

This study focused on the development and implementation of an educational simulation program based on Korean Triage and Acuity Scale (KTAS) for nurses in emergency medical centers who completed KTAS training. We also examined its educational effects based on the evaluation of clinical decision-making ability, job satisfaction, and customer orientation. The study participants were 30 nurses in the emergency medical center of a general hospital. Data were collected from May 3 to 24, 2017, and analyzed using SPSS 22.0. There was a significant difference in the mean scores in clinical decision-making ability, job satisfaction, and customer orientation before and after simulation education. In other words, emergency nurses who received KTAS-based simulation education program improved their clinical decision making ability, job satisfaction, and customer orientation. Based on the results of this study, it is expected that it can be used for KTAS education, and it was found that simulation-based education is a useful learning method for triage nurses in emergency medical center.

In this paper, we study the Parisian time of a reflected Brownian motion with drift on a finite collection of rays. We derive the Laplace transform of the Parisian time using a recursive method, and provide an exact simulation algorithm to sample from the distribution of the Parisian time. The paper is motivated by the settlement delay in the real-time gross settlement (RTGS) system. Both the central bank and the participating banks in the system are concerned about the liquidity risk, and are interested in the first time that the duration of settlement delay exceeds a predefined limit, we reduce this problem to the calculation of the Parisian time. The Parisian time is also crucial in the pricing of Parisian type options; to this end, we will compare our results with the existing literature.

Axial compression tests were carried out on 6 square steel tube confined concrete short columns and 6 BFRP square pipe confined concrete axial compression tests. The concrete strength grades were C30, C40, and C50. The test results show that the failure modes of steel pipe and BFRP pipe are obviously different, and the BFRP pipe undergoes brittle failure. Compared with the short columns of concrete confined by BFRP pipes, the ultimate bearing capacity of axial compression is increased by -76.46%, -76.01%, and -73.06%, and the ultimate displacements are -79.20%, -80.78%, -71.71%.

Axial compression tests were carried out on 6 square steel tube confined concrete short columns and 6 BFRP square pipe confined concrete axial compression tests. The concrete strength grades were C30, C40, and C50. The test results show that the failure modes of steel pipe and BFRP pipe are obviously different, and the BFRP pipe undergoes brittle failure. Compared with the short columns of concrete confined by BFRP pipes, the ultimate bearing capacity of axial compression is increased by -76.46%, -76.01%, and -73.06%, and the ultimate displacements are -79.20%, -80.78%, -71.71%.

With the every passing day, the demand for data traffic is increasing and this demand forces the research community not only to look for alternating spectrum for communication but also urges the radio frequency planners to use the existing spectrum smartly. Cell size is shrinking with the every upcoming communication generation which makes the base station placement planning complex and cumbersome. In order to make the next-generation cost-effective, it is important to design the network in such a way which utilizes minimum number of base stations while ensure coverage and quality of service. This paper aims at develop a new approach using hybrid metaheuristic and metamodel applied in multi-transmitter placement planning (MTPP) problem. We apply radial basis function (RBF) metamodel to assist particle swarm optimizer (PSO) in a constrained simulation-optimization (SO) of MTPP to mitigate the associated computational burden of optimization procedure. We evaluate the effectiveness and applicability of proposed algorithm in a case study by simulating MTPP model with two, three, four and five transmitters.

Metal 3D printing technology is a promising manufacturing method. The quality of the printed product can pass for mechanical application, if the anisotropy of the microstructure, imperfections, deformation, and residual stress of the printed sample could be lower than the appropriate level or if they are fully illuminated. Thermal stress is one of the significant reasons for deformation in the 3D printed samples. Thermal stresses are the direct consequence of the local temperature gradient. In this research, the effect of the temperature printer’s chamber (from room temperature to 900 C) was studied on thermal stress and subsequent total deformation in the printed sample. The printed sample is a six-layers-printed walk, which could be considered as a building block of other complex shapes and give us inside about deformation. The computational results show a meaningful reduction in thermal stress and deformation at the higher temperature of the printer’s chamber. The lower final deformation of the printed sample is an important subject, especially for samples with complex shapes.

Eight compounds were isolated from the roots of Glycyrrhiza uralensis and tested for cholinesterase (ChE) and monoamine oxidase (MAO) inhibitory activities. Glycyrol (GC) effectively inhibited butyrylcholinesterase (BChE) and acetylcholinesterase (AChE) with IC50 values of 7.22 and 14.77 µM, respectively, and also moderately inhibited MAO-B (29.48 µM). Six of the other seven compounds only weakly inhibited AChE and BChE, whereas liquiritin apioside moderately inhibited AChE (IC50 = 36.68 µM). Liquiritigenin (LG) potently inhibited MAO-B (IC50 = 0.098 µM) and MAO-A (IC50 = 0.27 µM), and liquiritin, a glycoside of LG, weakly inhibited MAO-B (&gt; 40 µM). GC was a reversible, noncompetitive inhibitor of BChE with a Ki value of 4.47 µM, and LG was a reversible competitive inhibitor of MAO-B with a Ki value of 0.024 µM. Docking simulations showed that the binding affinity of GC for BChE (-7.8 kcal/mol) was greater than its affinity for AChE (-7.1 kcal/mol), and suggested that GC interacted with BChE at Thr284 and Val288 by hydrogen bonds (distances: 2.42 and 1.92 Å, respectively) beyond the ligand binding site of BChE, but that GC did not form hydrogen bond with AChE. The binding affinity of LG for MAO-B (-8.8 kcal/mol) was greater than its affinity for MAO-A (-7.9 kcal/mol). These findings suggest GC and LG should be considered promising compounds for the treatment of Alzheimer’s disease with multi-targeting activities.

Due to the accuracy of numerical calculation of fluid flow inside a hydrocyclone can be obtained using Computational Fluid Dynamics (CFD), highly modified super computers are used to simulate the fluid flow and track particle motion inside a hydrocyclone. This paper deals with the numerical study using three multiphase models viz. Volume of fluid, Mixture and Eulerian model. The dimensions of the hydrocyclone taken into consideration for numerical analysis is same as considered by Rajamani. Validation of axial and tangential velocities at different strategically decided axial stations, RMS axial and tangential velocity profiles of the hydrocyclone is done using Reynolds Stress Model (RSM). The hydrocyclone model has been designed in Creo 3.0 using the same dimensions which later was imported to CFD for meshing. Fine hexagonal mesh numbering up to 5 lacs were constructed to obtain optimum results. Fluid flow was allowed to be developed in ANSYS FLUENT 16.2. Entire simulation took 96 hours to generate results and track particle movements inside the hydrocyclone. The particle tracking has been done using three multiphase model. The first being the volume of fluid was used for validation purposes and the comparison of the Mixture and Eulerian model are the basic focus of this research work. Conclusive results indicate that usage of different multiphase model does not result in variation in particle motion. The slight variation in grade efficiency values are hardly noticeable. The Mixture model and Eulerian model predict lower separation efficiency as compared with Volume of fluid multiphase model.

One of essential procedure nowadays to analyze a dynamic process in Science and Engineering is Computational modeling. Most of dynamic processes are distributed parameter systems, i.e., systems with state variables depend on the number of independent variables (such as space and time) which are expressed by a set of Partial Differential Equations (PDEs). Lateral method of lines is a method which used for solving PDEs numerically by solving a set of boundary value problems sequentially. The aim is to report the development of PDE toolbox based on SCILAB. This paper provides users with a method that is very easy to understand in the applications related to dynamic process. The method uses a SCILAB template to develop numerical simulations in the new field. In this paper, a model of tropical fruit heat treatment for decimating insect is presented. The illustration will be given to show how the lateral method of line template works to solve the problem.

Background: COVID-19, caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a global pandemic affecting approximately 490,000 people and accounting for more than 22,000 deaths and has no generally acceptable cure. Here, the recently resolved 3D structure of SARS-CoV-2 receptor binding domain (RBD) in complex with its receptor-the angiotensin converting enzyme-2 (ACE-2) have provided the basis for screening chemical database for novel entry inhibitors. Methods: Molecular docking protocols have been used to rapidly screen FDA database for high affinity interaction at the SARS-CoV-2-RBD/ACE-2 interface. One of the top candidates, ubrogepant has been selected and further studied using atomistic molecular dynamics simulation method. Results: Molecular docking result showed that ubrogepant (UBR) and darunavir have binding energies of -10.4 kcal/mol. MMPBSA free energy analyses of UBR bound to RBD, ACE-2 and RBD/ACE-2 revealed RBD/ACE-2 > ACE-2 > RBD preference. Network analysis showed that interaction captured in the crystal structure were disrupted in UBR-bound state, hydration of the interface and increased atomic fluctuation within the RBD oligomerization interface and ACE-2 zinc binding site. Conclusions: The ability of ubrogepant to rupture the interaction at the RBD/ACE-2 interface residues of SARS-CoV-2 RBD/ACE-2 complex may result in loss of protein function with direct implication on oligomerization formation in RBD and loss of function in ACE-2 thus, making binding, cellular receptor recognition impossible. General Significance: Ubrogepant represents a new therapeutic candidate in the fight against COVID-19, as it binds with relatively high affinity with free RBD, ACE-2 receptor and SARS-CoV-2 RBD/ACE-2 complex based on binding affinity calculations.

Studies on the detection of layers with elevated black carbon aerosol (BC) concentrations and the formation conditions of these layers help understand the vertical distribution of BC concentrations, which will provide a basis for the assessment of climate effects and early BC pollution warnings. By using the Weather Research and Forecasting with Chemistry (WRF-Chem) numerical model, we performed a numerical simulation analysis on the authenticity of strong elevated BC concentration layers that were detected by an aircraft in the mixing layer over Harbin, China, which is a high-emission area, on a clear sunny afternoon in the early heating period of 2016. We then discuss possible problems and solutions when non-vertical paths are used to detect the vertical distribution of BC concentrations. Finally, we discuss the favorable conditions for the formation of elevated BC concentration layers by weak vertical flow. The results show that the horizontal variability of BC concentration in the mixing layer in the observation area in Harbin was sufficiently large during the measurement. This produced a false elevated layer, as detected by the aircraft during one round of spiral flight in the mixing layer. The root mean square of the horizontal distribution of BC concentration did not change with height in the mixing layer during the daytime, but it decreased with the thickness of the mixing layer and was higher in the mixing layer than in the free atmosphere. Therefore, the thinner the mixing layer, in which the vertical distribution of the BC concentration is detected in an inclined path, the stronger interference of the horizontal variability on the detected results. When a spiral flight detection path is used, the aircraft should fly at least two rounds in the mixing layer. In the daytime, due to strong turbulence in the mixing layer, weak vertical uplift is not favorable for the occurrence of elevated BC concentration layers in the mixing layer. In the nighttime, if weak vertical uplift is well matched with the BC concentration or its vertical gradient, elevated BC concentration layers can be formed in the atmosphere. Compared with upper layers far from the ground, nighttime elevated layers are easier to form in lower layers near the ground because high BC concentrations or large vertical gradients are more likely to occur in the lower layers. Both cases facilitate the occurrence of large vertical upward transport rates of BC.

Flour yield determined the profitability of flour mill, but the intrinsic variability of the grain makes it very complex to analysis and estimate wheat grain flour yield. Simulation for flour yield attributes offer considerable advantages in flour mill, if reliable predictions of flour yield can be provided, because the wheat grain characteristics can be tested before milling. If this is possible, the characteristics thus observed could be quantified more reliably and objectively by Structural Equation Modelling (SEM). SEM was used to look for the most important wheat grain characteristics on flour yield, and then these wheat grain characteristics were used to simulate flour yield. Furthermore, the regressive equation was verified by the field experiment. The coefficient of variation of grain characteristics was low and distributed rather closely. The results of SEM showed that test weight had the most significantly effects on flour yield, followed by the hardness index. Test weight and hardness index could excellently estimate flour yield by multiplicative effect of test weight and hardness index, and which could determine 68% of the variation in flour yield. The simulation result can not only predict flour yield, but also look for the important grain characteristics for the flour yield.

This article is devoted to Feller's diffusion equation which arises naturally in probabilities and physics (e.g. wave turbulence theory). If discretized naively, this equation may represent serious numerical difficulties since the diffusion coefficient is practically unbounded and most of its solutions are weakly divergent at the origin. In order to overcome these difficulties we reformulate this equation using some ideas from the Lagrangian fluid mechanics. This allows us to obtain a numerical scheme with a rather generous stability condition. Finally, the algorithm admits an elegant implementation and the corresponding Matlab code is provided with this article under an open source license.

Many scientific and technological problems are studied with the help of computer codes that simulate the phenomena of interest rather than via traditional laboratory experiments. Such models play an important role in neuroscience where they are used to mimic brain function from the sub-cellular to the macroscopic level. Exploration with computer models carries with it a number of statistical challenges: where to sample the input space for the simulator, how to make sense of the data that is generated, how to estimate unknown parameters in the model, how to validate a model. The simulator setting also has some unique problems and possibilities. This review paper describes statistical research on these issues and how that work might be applied to neural simulations.

Automated skin lesion analysis is one of the trending fields that has gained attention among the dermatologists and healthcare practitioners. Skin lesion restoration is an essential preprocessing step for lesion enhancements for accurate automated analysis and diagnosis. Digital hair removal is a non-invasive method for image enhancement by solving the hair-occlusion artefact in previously captured images. Several hair removal methods were proposed for skin delineation and removal. However, manual annotation is one of the main challenges that hinder the validation of these proposed methods on a large number of images or using benchmarking datasets for comparison purposes. In the presented work, we propose a realistic hair simulator based on context-aware image synthesis using image-to-image translation techniques via conditional adversarial generative networks for generation of different hair occlusions in skin images, along with the ground-truth mask for hair location. Besides, we explored using three loss functions including L1-norm, L2-norm and structural similarity index (SSIM) to maximise the synthesis quality. For quantitatively evaluate the realism of image synthesis, the t-SNE feature mapping and Bland-Altman test are employed as objective metrics. Experimental results show the superior performance of our proposed method compared to previous methods for hair synthesis with plausible colours and preserving the integrity of the lesion texture.

This study evaluates eight-year ownership costs for battery electric vehicles (BEV) versus non-plugin hybrid vehicles using forecasting to estimate future electricity and conventional gasoline prices and incorporating these in a multiple design of experiments simulation. Results suggest that while electric vehicles are statistically dominant in terms of variable costs over an 8-year life-span, high-performance hybrid non-plugins achieve variable fuel costs nearly as good as low-performing electric vehicles (those attaining only 3 miles per kilowatt hour) and that these hybrid acquisition costs are (on average) lower yet the vehicles retain higher residual values. In general, the six smallest ownership costs are split evenly between hybrid and electric vehicles; however, inflation for conventional regular gasoline is estimated to outstrip inflation per kilowatt hour. Thus, non-plugin hybrid cars are likely to require considerably more advanced engineering to keep pace.

A theoretical analysis of haemoglobin (Hb) concentration detection is presented in this work with the objective of achieving more sensitive detection and monitoring low concentrations. Surface-enhanced SPR spectroscopy on silver nanoparticles was employed for recording Hb concentrations less than 10 g/L. In this paper, Fe₃O₄@Au core-shell, nanocomposite spherical nanoparticle consisting of a spherical Fe₃O₄ core covered by Au shell, was used as an active material for biomolecules detection in the Surface Plasmon Resonance (SPR)-based biosensor in the wavelength 632.8 nm. We present the simulation of detection amplification technique through Attenuated Total Reflection (ATR) spectrum in the Kretschmann configuration. The system consists of a four-layer material i.e prism/Ag/Fe₃O₄@Au+Hb/air. Dielectric function determination of the core-shell nanoparticle (Fe₃O₄@Au) and the composite (Fe₃O₄@Au+Hb) was done by applying the Effective Medium Theory approximation and the calculation of the reflectivity is carried out by varying the size of core-shell (r₀). In this simulation, the refractive index of the BK7 prism is 1.51; the refractive index of Ag thin film is 0.13455+3.98651i with the thickness of 40 nm, and the refractive index of the composite is varied depending on the size of nanoparticle core-shell. Our results show that by varying the radius of the core and the shell thickness, the dip of the reflectivity (ATR) spectrum is shifted to the larger angle of incident light and the addition of core-shell in the conventional SPR-based biosensor leads to enhancement of the SPR biosensor sensitivity, for the core-shell radius 10 nm, the sensitivity increased by 1.35% for F = 0.1, and by 4.89% for F =0.8 compared to the sensitivity of the conventional SPR-based biosensor without core-shell addition.

This paper highlights the problems associated with daylight use in industrial facilities. In a case study of a multi-story textile factory, we report how to evaluate daylight (as part of integral light) in the production halls marked F and G. This study follows the article in the Buildings journal, where Hall E was evaluated (unilateral daylight). These two additional halls have large areas that are 54 × 54 meters and are more than 5 meters high. The daylight is only on the side through the attached windows in envelope structures in the vertical position. In this paper, we want to present two case studies of these two production halls in a textile factory in the eastern part of Slovakia. These are halls that are illuminated by daylight from two sides through exterior peripheral walls that are against or next to each other. The results of the case studies can be applied in similar production halls illuminated by a ‘double-sided’ (bilateral) daylight system. This means that they are illuminated by natural illumination through windows on two sides in a vertical position. Such a situation is typical for multi-storied industrial buildings. The proposed approximate calculation method for the daylight factor can be used to predict the daylight in similar spaces in other similar buildings.

Utilization of wasted heat instead of fuel combustion is effective to reduce primary energy consumption for mitigating global warming problem. Because wasted heat sources are not necessarily located close to areas of heat demand, one of the difficulties is that wasted heat has to be transferred from heat source side to heat demand side, which may require heat transportation over long distance. From this point we proposed and have examined new idea of heat transportation using ammonia-water as the working fluid which system is named Solution Transportation Absorption chiller, in short STA. Our previous studies of STA were mainly the experimental investigation with STA facility which cooling power was 25RT (90kW). As a result, the COP of STA was found almost same value 0.65 with the conventional absorption chiller without depending on the transportation distances. The simulation using AspenHYSYS also examined with same experimental condition. The experimental data showed good agreement with the simulation calculation. In this study, we examined the large-scale cooling power STA on simulation. The examination cooling powers were from 90 kW(25RT) to 3517 kW(1000RT). All cooling power achieved around COP 0.64 including pump power consumptions. In addition, we performed the dynamic simulation. As the results, there was no effect of pipeline size on the cooling capacities and mass flow rates. Furthermore, the stability time of the cooling capacities and mass flow rates were almost same regardless of the pipeline size and cooling capacity. In other words, STA may be achieved the same COP even though having various complex conditions compared with the conventional absorption chiller.

Caveolin-1 (Cav-1) is 22 kDa caveolae protein, acts as a scaffold within caveolar membranes. It interacts with alpha subunits of G-protein and thereby regulates their activity. Earlier studies reported elevated or up-regulated levels of caveolin-1 in the serum of prostate cancer patients. Secreted Cav-1 promotes angiogenesis, cell proliferation and anti-apoptotic activities in prostate cancer patients. Cav-1 upregulation is mainly related to prostate cancer metastasis. Keeping above facts in view, the present study was designed to explore Cav-1 as a target for prostate cancer therapy using computational approach. Molecular docking, structural base molecular modelling and molecular dynamics simulations were performed to investigate Cav-1 inhibitors. A predictive model was generated and validated to establish a stable structure. ZINC database of biogenic compounds was used for induced fit docking (IFD) and high throughput virtual screening. The H-bond interactions of the compounds with active site residues of Cav-1 were estimated by IFD and 100 ns long molecular dynamic simulations. The reported compounds showed significant binding and thus can be considered as potent therapeutic inhibitors of Cav-1. This study provides a valuable insight into biochemical interactions of Cav-1 for therapeutic applications and warrants for experimental validation of the predicted ‘active(s)’.

The development of Artificial Intelligence-based tools is having a big impact on industry. In this context, the maintenance operations of important assets and industrial resources are deeply changing both from a theoretical and a practical perspective, even in the field of ship propulsion systems. Namely, conventional preventive maintenance schedules audits and checks at fixed times by using statistics on component failures, but it can be improved by a predictive maintenance based on the real component health status, which is inspected by proper sensors. In this way, time and costs are saved. More in details, data-driven models, through Machine Learning (ML) algorithms, generate the expected values of monitored variables for comparison with real measurements coming from the asset, hence for a diagnosis based on the difference between expectations and observations. Then, a ML-based fault detection starts with the choice of the ML algorithm. This process is often not the consequence of an in-depth deep analysis of the different algorithms available in the literature. For that reason, the authors propose a simple procedure to support a first implementation stage of the so-called Condition Based Maintenance (CBM): a quick benchmarking of the most suitable ML algorithms useful for fault detection. The algorithms are compared by taking into account not only the algorithm output error, shown by the Mean Squared Error between predictions and data, but also the response time, which is a crucial variable for maintenance purpose.

: In this paper we present an optimization of the planar manufacturing scheme for stretch-free, shape induced metal interconnects to simplify the fabrication with the aim of maximizing the flexibility in the structure regarding to stress and strain. The Formation of trenches between silicon islands are actively used in the lithographic process to create arc shape structures by spin coating resist into the trenches. The resulting resist form is used as a template for the metal lines, which are structured on top. Because this arc shape is beneficial for the flexibility of these bridges. The trench depth as a key parameter for the stress distribution is investigated by applying numerical simulations. The simulated results show that the increase in penetration depth of the metal bridge into the trench increases the tensile load which is converted into a shear Force Q(x), that usually leads to increased strains the structure can generate. For the fabrication the filling of the trenches with resist is optimized by varying the spin speed. Compared to the theoretical resistance, the current-voltage measurements of the metal bridges show a similar behavior and almost every structural variation is capable of functioning as a flexible electrical interconnect in a complete island-bridge array.

Microscale laser dynamic forming, as a novel high-speed microforming technique, can overcome the shortcomings of traditional microforming methods. However, in practical applications, laser dynamic microforming technology is often affected by the rebound behavior of the workpiece surface, limiting the further improvement of processing quality and efficiency. This paper aims to reduce the rebound effect in laser dynamic microforming by using multi-pulse laser shock loading. The forming results of workpieces under different laser energies and laser impact numbers were studied using experimental and numerical simulation methods. Numerical simulations of the forming results after multiple laser shocks were conducted using ANSYS/LS-DYNA software. These numerical simulation results were then experimentally validated and compared. Surface morphology and microstructure of the workpieces were characterized using a confocal microscope and scanning electron microscope, and energy dispersive spectroscopy (EDS) was used to analyze the chemical element content changes in the collision regions at the bottoms of the workpieces after multi-pulse loading, revealing the collision behavior patterns during the forming process. Finally, the forming laws of workpieces under multiple laser shocks were summarized.

Wireline Formation Testing is an important technique in the oil field of exploration and development. Not only it can make real fluid samples of the formation directly obtained to know exactly oil existed in formation or not; but it can also show flowing pressure change to see the production capacity of the formation. So it is important measurement for formation evaluation during the drilling process and supports for activities of the exploration and development in the oil field. A numerical simulation model in this article is researched and established based on the Finite Volume Method with considering the influence of sensitive parameters such as reservoir heterogeneity, probe suction area, and mud-filtrate invasion depth during the drilling. The model is capable to design and evaluate for formation fluid sampling operations with calculating hydrocarbon content and flowing pressure. Furthermore, through case application, the performance and effect in the process of Wireline Formation Testing was demonstrated. The results indicate that this technology can be served as an effective auxiliary tool for fluid sampling operations with the function of optimizing fluid sampling measures. It can improve the accuracy of predicting indicators such as hydrocarbon content and breakthrough time during the sampling process. This study provides important backups and technical guidance for professionals in geological exploration and oilfield development.

A better understanding of high temperature processes in slags contributes to facilitate knowledge based design of the solidified product. Here, a slag analogue with a nominal composition of 17 wt% LiMnO2 and 83 wt% Ca2SiO4 was synthesized encountering fairly high cooling rates. The Mn species from 1223 K to 1773 K was simulated using a thermodynamic model assuming a homogeneous melt. The micro-composition including the Mn species of the solidified slag was determined experimentally and was used as basis for molecular dynamics (MD) simulation. The MD simulation provides information on structure and viscosity at high temperatures, otherwise difficult to access. These parameters significantly influence oxidation state of redox-active elements and the solidified product. The micro-composition analyzed by electron probe micro analysis (EPMA) and synchrotron based micro-X-ray fluorescence (micro-XRF) showed that Mn-rich and Ca-Si-rich phases are separated. While the Mn-O phases did not contain noticeable Ca, the Ca2SiO4 phase had incorporated 0.6 wt% of Mn. The slag solidified into round shaped and droplet shaped grains of a Li-Mn-oxide, some Mn3O4 and Ca2SiO4. The powder X-ray diffraction (PXRD) confirmed the formation of larnite, the identity of the Li-Mn-oxide however remained inconclusive. The Mn oxidation state (OS) was identified using synchrotron based micro-X-ray absorption near edge spectroscopy (micro-XANES). The Mn-O grains, matched well with Li-Mn-oxides and a Mn OS: +3 e.g. LiMn3+O2. Small areas matching Hausmannite (Mn2+Mn23+O4) were also identified. The OS of Mn in the silicate phase could not be identified. For comparison a slowly cooled slag analogue with similar composition however higher Si content, was also subjected to micro-XANES. The slowly cooled slag formed long Mn-rich needles in a matrix of large calcium silicate crystals. The Mn-rich crystals matched well with the XANES spectrum of a Mn3+ Li-oxide like LiMn3+O2. At the rim of the needles the Mn-spectra matched well the Hausmannite (Mn2+Mn23+O4) reference. In the silicate phases Mn had a OS: +2, unambiguously. The melt structure at different temperatures of two compositions i.e. LiMn3+O2 and Ca2SiO4 was simulated using molecular dynamics (MD). They serve as model compositions assuming a heterogeneous melt. The results show significant different degrees of polymerization and viscosity. Information from MD simulations can support the identification of potentially different oxygen permeability and with that prediction of oxidation states. The bulk composition was identified by inductively coupled plasma optical emission spectrometry (ICP-OES), bulk structure by PXRD and bulk species by lab-XANES. The synchrotron micro analysis including micro-XRD were performed at the microfocus beamline I18 at the Diamond Light Source. Pure reference compounds were prepared and characterized with the same multi-modal approach.

The paper presents the prediction of hydrodynamic characteristics of different rudder -plane configurations behind a submarine in deep water through the Reynolds-Averaged Navier-Stokes method in Ansys Fluent Solver. The hydrodynamic force and moment acting on the Cross-plane, X-plane, and Y-plane rudder configurations are analyzed for estimating hydrodynamic coefficientsfor predicting the advantages of each configuration to control the ship. The obtained results show that X-force of the X-plane rudder configuration is larger than the force acting on the Cross-plane rudder and Y-plane rudder configurations. However, Y-force, and Z-force of the X-plane rudder configuration are significantly greater than the Y-force of the left configurations. The same tendency can be seen in the moment of the X-plane rudder about the y-axis and z-axis. The roll moment induced by the Y-plane and Cross-plane rudder configurations is significantly larger than the case of the X-plane rudder configuration.

Keywords: Amorphous-precipitate, Nitride, Morphological stability, Diffusion, Internal stresses, Modelling, Simulation

Solar photovoltaic (PV) generation suffers from multiple serious issues, for example shading effects directly affect the performance of installed PV arrays. By studying these issues, it can play a key role in improving the limitations and performance of PV panels. The study of PV arrays under partial shading conditions is mentioned in many papers as a part of other studies and as an independent phenomenon. Therefore, it is essential to improve these studies and update them with new research and study this problem in detail to know how to limit the effects of partial shading irradiance conditions on PV arrays performances, including economical aspects. This paper proposes to study the effects of different partial shading irradiance conditions for a PV array in various configurations. The analysis is proved in detail through the simulation of the proposed PV array in the Matlab/Simulink environment. The obtained results show the performances of interconnected PV arrays under different partial shading irradiance and temperature conditions, including the solar array I-V and P-V characteristics. In addition, different PV array configurations with and without bypass and blocking protection diodes improve and minimize the effect of partial shading conditions and avoid the reductions in output power.

Recently, a high internal surface of the titanium alloy pipe is required due to the increment of various applications of the pipe such as aerospace. However, the traditional machining process is unable to effectively polish the internal surface of the slender pipe. Thus, a vertical magnetorheological polishing (VMRP) apparatus is carried out in this work to implement high polishing performance on the internal surface of the titanium alloy pipe. The polishing process is realized by the combination of the rotating motion of the pipe and the reciprocating linear motion of the polishing head. Moreover, a series of comparative experiments are conducted to investigate the polishing mechanism of magnetorheological (MR) fluid and enhance the polishing performance. It is shown from the experimental results that proposed VMRP approach exhibits the better polishing performance than the conventional horizontal MR polishing method under same testing conditions. This is because the proposed VMRP method well eliminates the traces of polishing particles owing to the combination of polishing particles with different sizes. In addition, it is identified from the experimental test that the polishing time of the VMRP required to achieve the same polishing effect as the conventional method is shortened under the combination of different rotation speeds. It is identified from the above benefits of the VMRP that the final surface roughness after polishing is below 0.05 μm.

Certain configurations of liquefied natural gas refueling stations exhibit a deficiency in managing boil-off gas. Furthermore, the ill-conceived linkage between the submersible pump and the gas storage tank pipeline leads to impeded natural gas transmission. This study employs Computational Fluid Dynamics (CFD) methodology to scrutinize the hydrodynamic attributes of T-type tee and dovetail tee configurations implemented in the pipeline design connecting the submersible pump and storage tank in an LNG filling station across diverse operational scenarios. The T-type tee induces detachment of the primary flow from the inner wall due to inertial forces, resulting in vortex formation and heightened resistance, accompanied by increased energy dissipation. Conversely, the dovetail tee, with its circular wall transition, mitigates vortex generation, reducing the separation zone and consequently minimizing resistance and energy loss. The maximum static differential pressure between the inlet and outlet of the dovetail tee is diminished by 52.52% when compared to that of the T-type tee. In the most noteworthy scenarios, the local resistance coefficient of the dovetail tee is even less than 1/10 of that of the T-type tee. In practical engineering applications, the incorporation of dovetail tees leads to a 17.58% reduction in the required elevation difference. This results in a more uniform flow field and enhanced stability in both flow rate and pressure. Such improvements contribute to heightened engineering efficiency and environmental sustainability, particularly evident in the design of LNG filling stations.

Among other fossil fuels, natural gas is a major energy source. It is generally created saturated with water vapor. Dehydration of natural gas is vital in the gas business to remove water vapor from the gas supply, which may cause hydrate development in pipes. Gas dehydration employs Tri ethylene glycol (TEG) to remove water vapor from natural gas flow. The wet gas is dehydrated with lean glycol in an absorber, and the rich glycol is recovered and reused. This work investigates the use of dry natural gas instead of nitrogen in the glycol dehydration re-generator, and compares the results using HYSYS modeling and simulation. The two techniques were compared for capital and utility expenses, while maintaining the identical glycol purity criteria. The wet gas from the stripping mechanisms may also be utilized to run steam pumps and compressors or recycled. The model is based on the real mechanism flow diagram. Finally, the findings of this model might be used to design a new heat and material balance for the plant.

In recent years, wireless power transfer (WPT) has progressed rapidly in both theory and commercialization abroad. However, existing research into WPT coil design for low-power devices is limited. This paper investigates coil structure using printed circuit board (PCB) for magnetic resonant coupling WPT to address this gap. Specifically, the impacts of key geometric parameters on the coil quality factor and coupling coefficient are analysed through models and simulations. Equivalent PCB coils were formed for mutual inductance models, and four basic compensation circuits were analysed. The impacts of changes in coil thickness, line width, turn spacing, and number of turns on the quality factor of PCB coils were analysed with a fixed outer diameter of the coil. In this paper, to mitigate the coil offset while retaining PCB manufacturing simplicity for practical uses, a dual layer PCB coil structure is proposed. The structure optimizated PCB coil could offer remarkable improvements in the WPT system for low power electronic devices.

Optimal operation of petroleum production is important in a transition from energy systems based on fossil fuel to sustainable systems. One sub-process in petroleum production deals with transport from the (subsea) well-bore to a topside separator. A simple model in [] of Electric Submersible Pump [ESP] lifted production was previously streamlined into a dynamic model suitable for illustration of the dynamics of oil transport, as well for control studies, with some comparison of two popular modeling languages: Modelica, and ModelingToolkit for Julia, []. Here, the discussion on dimensionless equipment models goes into more detail, and the comparison between Modelica and ModelingToolkit is significantly expanded upon with code comparison, numerical performance, and more experiments. Some added possibilities with ModelingToolkit and Julia wrt. sensitivity analysis and control design is included.

This study investigated riverbank protection strategies along the dynamic Jamuna River in Bangladesh, a braided river prone to erosion and sedimentation. It reviews past countermeasures and emphasizes the effectiveness of groyne-type structures in redirecting flow and preventing erosion. Notably, the left bank exhibited greater stability than the right bank, emphasizing the need for effective groyne installations. A systematic methodology utilizing numerical modeling using International River Interface Cooperation (iRIC Nays2DH) ensured accuracy in assessing morphological impacts. This study presents novel countermeasures incorporating groyne installations in Zone 1 (from Singrabari to Meghai) and Zone 2 (from Pachthakuri to Subhagacga), accompanied by simulations for various flood conditions. Zone 2, identified as highly erosion-vulnerable, showed the greatest susceptibility. Simulations (Cases_0 1, 2, and 3) revealed groynes in Zone 1 alone ineffective, while Zone 2 installations successfully diverted oblique flow, reducing erosion risk. Although Case_3's combined approach was effective, it was uneconomical for Zone 1. Case_2, focusing on Zone 2 groynes, emerged as the optimal solution, redirecting flow and shaping sandbars to mitigate Jamuna River's riverbank erosion. It provides a practical and economical solution. Further research is recommended for groyne length and spacing variations. This study enhances Jamuna River protection, emphasizing groyne-type structures' importance and promoting a holistic understanding of morphological dynamics for future river management and effective countermeasures.

Vibration monitoring is a critical aspect of assessing the health and performance of machinery and industrial processes. This study explores the application of machine learning techniques, specifically the Random Forest (RF) classification model, to predict and classify chatter—a detrimental self-excited vibration phenomenon—during machining operations. While sophisticated methods have been employed to address chatter, this research investigates the efficacy of a simplified RF model. The study leverages simulated vibration data, bypassing resource-intensive real-world data collection, to develop a versatile chatter detection model applicable across diverse machining configurations. The feature extraction process combines time-series features and Fast Fourier Transform (FFT) data features, streamlining the model while addressing challenges posed by feature selection. By focusing on the RF model’s simplicity and efficiency, this research advances chatter detection techniques, offering a practical tool with improved generalizability, computational efficiency, and ease of interpretation. The study demonstrates that innovation can reside in simplicity, opening avenues for wider applicability and accelerated progress in the machining industry.

The transportation of feed pellets via pneumatic conveying plays an improtant role in feed industry. In recent years, many efforts are made both exprimentally and numerically to gain a better understanding of the underlying mechanism for pneumatic conveying. Though few of those research is directly related to feed pellets, it can be beneficial to draw a full picture of rencent development in pneumatic conveying, with emphasis on aspects extendable to feed transportation. This paper reviews first the major factors concerning feed pellets pneumatic conveying, such as particle breakage, pipe wear and electrostatic. Building on that, new advancement including emerging new technologies in experiments and simulations are discussed, with a focus on the experimental measurements and mathematical models, repectively. The needs for future research and the analogy to feed pellets tranportation is given lastly.

Additive manufactured interlocking structures often face challenges in achieving suitable joinability due to thermal deformation. This issue becomes particularly interesting when fabricating structures that require high density but not fully connected layers, such as soft-magnetic materials. This study focuses on systematical investigation of the deformation as a function of finger thickness and building direction in model interlocking structure. In the perpendicular direction to the build plate, the distortions of joint part were significantly reduced due to lower thermal stress. In addition, the effect of laser power and scan speed on interlocking structure are systematically discussed. Additionally, through stress and thermal simulations of additive manufacturing process, it was confirmed that the compensated model can enhance the joinability of interlocking structures. These findings contribute to the development of optimal design for additive manufactured parts of soft magnetic materials such as stators in electric motor components, which needs insulations and density.

In this study, three new demountable joints consisting of reinforced concrete columns and steel beams were proposed and their seismic performance was investigated using cyclic loading tests. The test results demonstrated that the three demountable RCS joints had good seismic performance. Using the finite element software ABAQUS, the influence of parameters such as beam flange thickness, bolt strength, and connector steel strength on the seismic performance of each joint was analyzed, and the influence of different parameters on the seismic behavior of the joint was determined. The results also showed that the three demountable RCS joints were sensitive to changes in the thickness of the steel beam flange, while the connector steel strength and bolt type had little impact on the joint's capacity. Additionally, shear capacity calculation formulas for the joint core area provided by different codes and researchers were compared with test and finite element results. The results showed that the calculation results of the ASCE guidance method, the Nishiyama method, and the CECS 347-2013 method were higher than the test values, while the calculation results of the Para method were lower because it did not consider the contribution of the cylindrical steel plate to the shear capacity of the joint core area.

With the development of engineering technology, engineering has higher requirements for the accuracy and the scale of simulation calculation. The computational efficiency of traditional se-rial program can not meet the requirements of engineering。Therefore, reducing the calcula-tion time of temperature control simulation program has important engineering significance for real-time simulation of temperature field and stress field, and then adopting more reasona-ble temperature control and crack prevention measures. GPU parallel computing is introduced into the temperature control simulation program of massive concrete to solve this problem and the optimization is carried out. Considering factors such as GPU clock rate, number of cores, parallel overhead and Parallel Region, The improved GPU parallel algorithm analysis indicator formula is proposed. It makes up for the shortcomings of traditional formula that focus only on time. According to this formula, when there are enough threads, the parallel effect is limited by the size of the parallel domain, and when the parallel domain is large enough, the efficiency is limited by the parallel overhead and the clock rate. This paper studies the optimal Kernel execu-tion configuration. Shared Memory is utilized to improve memory access efficiency by 155%. After solving the problem of bank conflicts, an accelerate rate of 437.5x was realized in the sub-routine of the matrix transpose of the solver. The asynchronous parallel of data access and logi-cal operation is realized on GPU by using CUDA Stream , which can overlap part of the data access time. On the basis of GPU parallelism, asynchronous parallelism can double the compu-ting efficiency. Compared with the serial program, the accelerate rate of inner product matrix multiplication of the GPU asynchronous parallel program is 61.42x. This study further proposed a theoretical formula of data access overlap rate to guide the selection of the number of CUDA streams to achieve the optimal computing conditions. The GPU parallel program compiled and optimized by CUDA Fortran platform can effectively improve the computational efficiency of the simulation program for concrete temperature control, and better serve for engineering computing.

The combination of wet-lab experimental data on multi-site combinatorial mutations and machine learning is an innovative method in protein engineering. In this study, we present an improved innovative sequence–activity relationship (innov'SAR) methodology based on novel descriptors and digital signal processing (DSP) to construct a predictive model. In this improved approach, 21 experimental (R)-selective amine transaminases from Aspergillus terreus (AT-ATA) were used as an input to predict higher thermostability than that predicted using the existing data. We successfully improved the determination coefficient (R2) of the model from 0.66 to 0.92. In addition, root mean square deviation (RMSD) and root mean square fluctuation (RMSF) were estimated and conformation analysis based on molecular dynamics simulations was performed to verify the enhanced thermal stability of the screened mutants. The improved innov'SAR algorithm enhanced the predictive accuracy, suggesting a method for modifying the stability of AT-ATA, which may help in directed evolutionary screening and open up new avenues for protein engineering.

Nurses in disaster response require comprehensive understanding, training, and col-laboration among educators, researchers, and practitioners to overcome challenges and improve their capabilities. This study evaluates the impact of simulation-based training on improving nursing students' knowledge and performance in crisis management and triage during mass casualty incidents in Saudi Arabia, aiming to enhance existing pro-tocols in disaster management. This quantitative interventional pre-post study aimed to assess the impact of a training intervention on the disaster nursing skills of nursing students at Taif University in Saudi Arabia. The study involved a random sample of 101 nursing students and utilized a realistic train accident simulation with a response team comprising healthcare professionals and emergency specialists. A detailed questionnaire was used to measure emergency management skills and knowledge, and pre-test and post-test evaluations were conducted. Data analysis was performed using SPSS, and the study was conducted on a voluntary basis with necessary approvals obtained. The findings have the potential to enhance disaster management protocols and improve the preparedness of nursing professionals in Saudi Arabia. The posttest analysis revealed that a significant portion of participants achieved excellent, very good, and good levels of performance, indicating the effectiveness of the training program. In contrast, the pretest grades showed a higher percentage of participants receiving fail level grades, high-lighting the need for improvement prior to the training intervention. This study high-lights the importance of comprehensive training and education in disaster nursing for improving emergency response and patient outcomes

The effect of graphene (GR) on Ni surface relaxation and reconstruction in three different substrate orientations: {111}, {001}, {011}, at two different temperatures: 300K and 400K was studied using Molecular Dynamics simulation. The change of the interplanar distances of the substrate and redistribution of Ni and C atoms in direction perpendicular to the surface were compared with the equilibrium state of GR and bulk Ni, in the absence of the counterpart. The surface reconstruction for GR/Ni system was analyzed base on the calculated radial pair distribution function of Ni and C atoms. The surface roughness was visualized using 2D atomic distribution maps. For the studied substrate orientations and temperatures, it was found that the most densely packed orientation of the Ni base {111} provides minimal changes of the structural parameters of both counterparts at 400 K.

In this study, reinforcement learning (RL) was used in factory simulation to optimize storage devices for use in Industry 4.0 and digital twins. First, we defined an RL environment, modeled it, and validated its ability to simulate a real physical system. Subsequently, we introduced a method to calculate reward signals and apply them to the environment to ensure the alignment of the behavior of the RL agent with the task objective. The stocker simulation model was used to validate the effectiveness of RL. The model is a storage device that simulates logistics in a manufacturing production area. The results revealed that RL is a useful tool for automating and optimizing complex logistics systems and increase the applicability of RL in logistics. We proposed a novel method for creating an agent through learning using the proximal policy optimization algorithm, and the agent was optimized by configuring various learning options. The application of reinforcement learning resulted in an effectiveness of 30% to 100%, and methods can be expanded to other fields.

Biomass gasification acquired great interest over the past decades as an effective and trustable technology to produce energy and fuels with net-zero carbon emissions. Moreover, using biomass waste as feedstock enables to recycle organic wastes and to fit the circular economy goals thus reducing the environmental impacts of waste management. Even if many studies have been already carried on, this kind of process must still be investigated and optimized with the final aim to develop industrial plants for different applications, from the hydrogen production to net-negative emission strategies. Modeling and developing of process simulations became an important tool to investigate the chemical and physical behavior of the plant, allowing to make a first raw optimization of the process and to define heat and material balances of the plant as well as to define optimal geometrical parameters with cost and time effective approaches. The present review paper focuses on the main literature models developed until now to describe biomass gasification process, and in particular on kinetic models, thermodynamic models, and computational fluid dynamic models. The aim of this study is to point out the strengths and the weakness of those models, comparing them and indicating in which situation is better to use an approach instead of another. Moreover, theoretical shortcut models and software simulations, not explicitly addressed by prior reviews, are taken into account. For researchers and designers this review provides a detailed methodology characterization as a guide to develop innovative study or project.

The positional deviation of the Automatic Emergency Call System (AECS) under collision conditions brings difficulties for post-rescue operations. Currently, there is a lack of analysis on the system operating conditions during collisions in the reliability assessment methods for the Global Navigation Satellite System (GNSS) deployed in AECS. Therefore, this paper establishes an in-vehicle collision environment simulation model for emergency calls to explore the influence of parameters such as temperature and vibration on the data deviation of the simulated GNSS system. We also propose environmental limits applicable to comprehensive AECS tests, which can objec-tively evaluate the reliability of AECS and provide data support for AECS bench test. Through the satellite signal-based semi-physical simulation, AECS is subjected to bench test under different operating conditions. The findings of this study demonstrate that the occurrence of random vibra-tion and impact stress, induced by vibration, exerts considerable disruptive effects on positional signal data during collisions. Consequently, it leads to substantial interference with the accurate detection of post-collision satellite positioning information. When the simulation operates under a 2.4gRMS vibration condition, the maximum phase noise error in the positioning system is 8.95%, which does not meet the AECS test accuracy requirements. On the other hand, the semi-simulation system is less affected by temperature changes, and at the maximum allowable temperature dif-ference of the equipment, the maximum phase noise error in the simulated signal is 2.12%. Therefore, based on the influence of phase noise variation on the accuracy of satellite signal simulation, nec-essary environmental conditions for AECS test are obtained, including the temperature consistent with the maximum operating temperature of the vector generator and the vibration Power Spectral Density (PSD) lower than 1.2gRMS.

The decreasing width, increasing aspect ratio RDL presents significant challenges to design for reliability (DFR) of advanced package. Therefore, this paper proposes a ML based RDL modeling and simulation method. In the method, RDL is divided into blocks and subdivided into pixels of metal percentage, and the RDL is digitalized as tensors. Then, an ANN-based surrogate model is built and trained by a subset of tensors to predict the equivalent material properties of each block. Lastly, all blocks are transformed into elements for simulations. For validation, line bending simulations were conducted on an RDL, with the reaction force as accuracy indicator. The results show that neglecting layout impact causes critical errors as substrate thins. By the method, the reaction force error is 2.81% and the layout impact can accurately be considered with 200×200 elements. For application, the TCT maximum temperature state simulation was conducted on a CPU chip. The simulation indicates that for advanced package the maximum stress more likely occurs in RDL rather than bumps, both RDL and bumps are critical impacted by layouts, and RDL stress is also impacted by vias/bumps. The proposed method precisely concerns layout impacts with little resources, presents an opportunity of efficiency improvement.

Chipless radio frequency identification (RFID) technology is expected to replace barcode technology due to its ability to read in non-line-of-sight (NLOS) situations, long reading range, and low cost. Currently, there is extensive research being conducted on frequency-coded (FC) co-polarized radar cross-section (RCS)-based tags, which are widely used. However, detecting co-polarized chipless RFID tags in cluttered environments is still a challenge, as confirmed by measuring two co-polarized tags in front of a perfect metal reflector (30.5cm×22.5cm). To address this challenge, a realistic mathematical model for a chipless RFID system has been developed that takes into account the characteristics of the reader and the tag, as well as reflections from cluttered objects. This model has been simulated and verified with measurement results by placing a single flat metal reflector behind two co-polarized one-bit designs: a dipole array tag and a square patch tag. The results showed that the interfering signal completely overlaps the ID of the co-polarized tag, severely limiting its detectability. To solve this issue, the proposed solution involves reading the tag in cross-polarization mode by etching a diagonal slot in the square patch tag. This proposed tag provides high immunity to the environment and can be detected in front of both dielectric and metallic objects.

With the global outbreak of COVID-19, the panic buying incidents triggered by the variants of the Omicron strain have severely affected the normal social order. This paper considers the complex interest game and interactive relationship among multiple subjects in the mass panic buying event caused by rumors and constructs a three-party evolution game model of local government, rumor-monger, and public. Based on the theory of evolution game, the evolutionary process of the strategy selection of game subjects is studied, and the strategy selection of the three-game subjects under different scenarios is compared and analyzed. Taking the example of the montmorillonite powder panic buying caused by the XBB virus strain rumor in China, the evolutionary game model constructed in this study is simulated and analyzed. The study shows that: the evolution process of the mass panic buying event is characterized by six stages: the initial stage E1(0,0,0); the outbreak stage E3(0,1,0);the spread stage E7(0,1,1);the climax stage E8(1,1,1);the relief stage E5(1,1,0);and the recovery stage E4(1,0,0); there are four stable points in the evolutionary game of the three game subjects, namely (no intervention, no rumor, no panic buying), (no intervention, rumor, no panic buying), (intervention, no rumor, no panic buying), and (intervention, rumor, no panic buying), and the strategy of government intervention will be adjusted according to the strategy selection of the public and the rumor-monger; under the mechanism of reward and punishment of the higher-level government, increasing the punishment and reward intensity of the higher-level government will promote the local government to intervene in the rumor-mongering event faster, but increasing the reward intensity has a more significant impact on the intervention behavior of the local government than punishment, and increasing punishment intensity has a more significant impact on the non-rumor-mongering behavior of the rumor-monger than reward; the parameters of social risk-bearing cost, risk transmission coefficient, rumor-mongering income and cost, and public drug purchase cost have different degrees of influence on the evolutionary behavior of game subjects. This study provides new ideas for effectively responding to mass panic buying events in the context of public emergencies.

Water management systems help allocate water resources effectively, considering various demands such as agriculture, industry, domestic use, and environmental needs. They optimise water distribution and ensure equitable access, minimising water scarcity and conflicts. Critical elements of this system are often the target of various attacks. Depending on the target of the attack, different scenarios based on physical, cyber, or combined forms of attacks can be used. Requirements for the protection of water objects forming part of the critical infrastructure system are determined primarily by generally binding legal regulations, technical standards, or other requirements of third parties. These requirements imply the need to adopt certain protective measures. Physical protection system (PPS), as a convenient way of organising protective measures, makes it possible to prevent an unauthorised person from achieving his goal. Current procedures aimed at protecting objects use a qualitative or quantitative approach. The article presents the use case of a possible way to protect a selected water reservoir that has been identified as a national element of critical infrastructure in the subsector Drinking Water Provision. The use case is based on the analysis of safety requirements and subsequent design of the PPS water reservoir. To verify the functionality of the proposed PPS, a quantitative PPS model was created using a software tool, and four possible attack scenarios were simulated.

Pore fluid pressure is very important to the generation, migration and accumulation of petroleum. The previous studies indicate that the Chezhen sag region is typically characterized by pore fluid overpressure (the difference between pore fluid pressure and hydrostatic pressure). To date, the formation mechanism of pore overpressure and the accumulation regularity of “upper source-lower reservoir” type in this region remains unknown. In order to investigate these problems, a 2-D finite element model is established with regards to the fluid-solid coupling in Chegu 25 block of Chezhen depression, fully considering the existing seismic, logging data and regional tectonic stress environment. Meanwhile, we calculate the abnormal overpressure generated at the source rock during hydrocarbon generation and the process of hydrocarbon migration and accumulation along the faults, analyzing the dynamic conditions of hydrocarbon downward accumulation. The results show that overpressure can accelerate migration of hydrocarbon and improve the efficiency of hydrocarbon accumulation. However, when the overpressure is too large, tensile fractures and shear fractures may occur, resulting in hydrocarbon dissipation, and changing the results of oil and gas accumulation. The overpressure at the source rock is mainly caused by hydrocarbon generation, while the overpressure at the reservoir is primarily created by unbalanced compaction. As the dominant channel of hydrocarbon migration, overpressure will change the direction and path of hydrocarbon migration in the fault. Therefore, the “upper source-lower reservoir” hydrocarbon accumulation model is strongly explained by the high permeability of faults and the presence overpressure. In summary, the simulated overpressure results are in good agreement with the mud weight equivalent overpressure and the drill stem tests (DSTs).

This paper presents an analysis of the sensitivity of controlling an autonomous surface object among a group of encountered objects to the inaccuracy of state control process data. For this purpose, a safe and optimal model of the control process was defined. An algorithm for determining the optimal and safe trajectory of an object, based on the multi-object game model, was developed; for comparative analysis, an algorithm for calculating only the optimal trajectory, not taking into account the maneuverability of other objects, was additionally developed. First, simulation-based studies of the algorithms enabled a comparative analysis of a number of different acceptable strategies for optimally shifting the trajectory of maneuvering objects from a single initial direction. Thereafter, the main goal of this paper was implemented: an analysis of the sensitivity characteristics of safe control, assessed with the risk of collision, both on the inaccuracy of navigation data and on the number of possible control strategies. Finally, final conclusions and a plan for further research on the subject of the paper were formulated.

In the construction of shield crossing existing mined tunnel without load, it is imperative to develop corresponding design standards that reflect actual engineering force characteristics to ensure the successful completion of tunnel construction. This research uses The MIDAS-GTS finite element software to facilitate the creation of a numerical model of the shield structure for an air-push-over mine tunnel project in Changsha, China, investigating the stress field’s evolution during shield construction, and calculating the maximum positive and negative bending moments and maximum axial forces for different structures and other force states under various construction conditions. This study's findings informed the design and construction optimisation of the shield tunnelling empty-push method. The outcomes of this numerical simulation led to several key findings: (1) The soil density exerted a significantly greater impact on the internal forces of the initial support structure than both the tunnel depth and soil Poisson's ratio. Additionally, a sudden shift in internal forces occurred within the 300-350 mm range when the lining thickness was altered. (2) Factors such as the tunnel depth, soil density, soil Poisson's ratio μ, and lining thickness have a similarly influenced internal forces of the segment and the initial support. Notably, the backfill layer thickness significantly affected the segment’s maximum axial force causing an abrupt change of approximately 300 mm. (3) Under the shield machine equipment’s weight constraint, it is essential to control the guide rail’s thickness, to prevent it from becoming overly large.

Keywords: Deep mining; Drill bit structural parameters; Fidelity coring; Abaqus simulation and analysis.

Large aluminum alloy ring forgings are the core components of heavy-duty rocket fuel storage tanks, and the large residual stress inside the rings leads to poor shape accuracy of large thin-walled parts. The initial stress of the 2219 aluminum alloy ring blank was tested using the drilling method, and the creep constitutive coefficient of the 2219 aluminum alloy was determined through stress relaxation tests. The numerical simulation processes of thermal stress relief (TSR), vibration stress relief (VSR), and thermal-vibration stress relief (TVSR) were compared and established. Through the correlation analysis between the actual measurement results of residual stress and the simulation results, it can be seen that the strong correlation in three directions at each measurement point accounts for over 37.5%, and the moderate correlation accounts for over 62.5%. This indicates that the numerical simulation model of 2219 aluminum alloy ring containing initial residual stress can accurately reflect the size and distribution of residual stress inside the actual ring. The simulation results show that the derived constitutive model can describe the stress relaxation process of TVSR by combining a single thermal time effect stress relaxation constitutive theory with a VSR plastic deformation material model. The simulation models established above were used to calculate the residual stress homogenization ability of three types of aging. The results showed that VSR, TSR, and TVSR can homogenize and reduce the residual stress field inside the ring, improve the distribution of residual stress inside the ring, and have a better overall homogenization ability of TVSR. The VSR control has a certain effect on reducing and homogenizing residual stress, but compared with TSR and TVSR, the reduction and homogenization ability of residual stress control is limited. The homogenization control effect TVSR>TSR>VSR, and the maximum equivalent stress homogenization rates of VSR, TSR, and TVSR are 52.8%, 80.6%, and 82.2%, respectively. Then, numerical simulation technology is used to study how the initial residual stress in the blank will cause the deformation of the ring during the thin-walled machining process. The roundness error theory of the minimum containment area method is applied to evaluate the deformation degree during the thin-walled numerical machining process, and the TVSR method is used for stress regulation. The deformation law of the thin-walled machining of the ring under different aging parameters is studied.

This study aims to optimize the subway platform passenger flow guidance method using Anylogic simulation software. The objective of the study is to minimize overcrowding within subway carriages, enhance transportation capacity, and augment service levels by guiding passengers on the platform to board trains in a distributed manner. The study achieves a balanced flow of passengers in each carriage by taking into consideration the number of passengers in each carriage, the number of passengers at the station, and the expected number of passengers disembarking from the trains. The standard deviation of balance is used to optimize the subway platform passenger flow guidance method. We simulated Guangzhou Metro Zhujiang New Town Line 5 platform to compare different guidance methods and evaluate their effects on the uneven distribution of passengers with passenger flows ranging from 120K to 600K people per day. Our results show that guidance method 2, relative to manual guidance, improves by 38.5% under a daily passenger flow of 240K people on Zhujiang New Town Line 5. Guidance method 3 improves by 25.7% relative to guidance method 2 and by 54.4% relative to manual guidance.

The JC polyomavirus virus (JCPyV) affects more than 80% of the human population in their early life stage. It mainly affects immunocompromised individuals where virus replication in oligodendrocytes and astrocytes may lead to fatal progressive multifocal encephalopathy (PML). Virus protein 1 (VP1) is one of the major structural proteins of the viral capsid, responsible for keeping the virus alive in the gastrointestinal and urinary tracts. VP1 is often targeted for antiviral drug and vaccine development. Similarly, this study implied immunoinformatics and molecular dynamics simulation-based approaches to design a multi-epitope subunit vaccine targeting JCPyV. The VP1 protein epitopic sequences, which are highly conserved, were used to build the vaccine. This designed vaccine includes two adjuvants, five HTL epitopes, six CTL epitopes, and two linear BCL epitopes to stimulate cellular, humoral, and innate immune responses against JCPyV. Furthermore, molecular docking and molecular dynamics simulation (100ns) studies were used to examine the interaction and stability of the vaccine protein with TLR4. Trajectory analysis showed that the vaccine and TLR4 receptor form a stable complex with the vaccine protein. Overall, this study contributed to the path of vaccine development against JCPyV and may prevent PML from happening. However, this study needs experimental validation to conclude our findings.

Curcuma longa is only a rich source of curcumin (1) and its major analogues demethoxycurcumin (2) and bisdemethoxycurcumin (3) among the Curcuma species. The content ratio of these three curcumins in turmeric is depended on the varieties and growing environment. Recently, curcumin (1) has been reported as potential inhibitor of hepatic and enzymatic protein tyrosine phosphatase 1B (PTP1B) and its related disorders such as hypertriglyceridemia, hyperlipidemia and liver steatosis. Thus, we further purified curcumins (1–3) from C. longa and investigated their inhibitory effects against PTP1B and α-glucosidase enzymes. As the result, curcumins (1–3) exhibited potential PTP1B inhibition with IC50 values of 37.8 ± 1.4, 45.3 ± 0.7, and 72.6 ± 1.1 μM, respectively, and α-glucosidase inhibition with similar manner (IC50 values of 78.2 ± 0.2, 82.4 ± 0.6, and 90.6 ± 1.0 μM, respectively). These results reveal a key role of methoxylation in the variation of PTP1B and α-glucosidase inhibitory activity for these curcumins. In addition, density functional theory (DFT) was used accompanying with molecular docking (MD) to analyze the ligand stability and the interaction of curcumins (1–3) with PTP1B and glucoside hydrolase proteins. Assay-based results and the MD data obtained are highly correlation suggesting that the deterioration of the enzyme activity caused by the distortion of structural conformation of PTP1B and glucoside hydrolase may be related to the arrangement of amino acids in protein structure. This reported for the first time that inhibitory effects of curcumins (1–3) against PTP1B and glucoside hydrolase have been examined in vitro and in silico as well.

Is it possible to develop a meaningful measure for the complexity of a simulation model? Algorithmic information theory provides concepts that have been applied in other areas of research for the practical measurement of object complexity. This article offers an overview of complexity from a variety of perspectives and provides a body of knowledge with respect to the complexity of simulation models. Key terms of model detail, resolution, and scope are defined. An important concept from algorithmic information theory, Kolmogorov complexity, and an application of this concept, normalized compression distance, are used to indicate the possibility of measuring changes in model detail. Additional research in this area can advance the modeling and simulation body of knowledge toward the practical application of measuring simulation model complexity. Examples show that KC and NCD measurements of simulation models can detect changes in scope and detail.

A novel physiologically based algorithm (PBA) for the computation of fractional flow reserve (FFR) in coronary artery trees (CATs) using computational fluid dynamics (CFD) is proposed and developed. The PBA is based on the extension of Murray's law and additional inlet conditions prescribed iteratively, and is implemented in OpenFOAM for testing and validation. 3D models of CATs are created using CT scans and computational meshes, and the results are compared to in-vasive coronary angiographic (ICA) data to validate the accuracy and effectiveness of the PBA. The discrepancy between calculated and experimental FFR is within 2.33-5.26% in steady-state and transient simulations, respectively, when convergence is reached. The PBA is a reliable and physiologically sound technique compared to the current lumped parameter model (LPM), which is based on empirical scaling correlations and requires nonlinear iterative computing for conver-gence. The accuracy of the PBA method is further confirmed using the FDA nozzle, which demonstrates good alignment with CFD-validated values.