Proper management of solar energy, as an effective renewable source, is of high importance toward sustainable energy harvesting. This paper offers a novel sophisticated method for predicting solar irradiance (SIr) from environmental conditions. To this end, an efficient metaheuristic technique, namely electromagnetic field optimization (EFO) is employed for optimizing a neural network. This algorithm quickly mines a publicly available dataset for non-linearly tuning the network parameters. To suggest an optimal configuration, five influential parameters of the EFO (i.e., N_Pop, R_rate, Ps_rate, P_field, and N_field) are optimized by an extensive trial and error practice. Analyzing the results showed that the proposed model can learn the SIr pattern and predict it for unseen conditions with high accuracy. Furthermore, it provided about 10% and 16% higher accuracy compared to two benchmark optimizers, namely shuffled complex evolution and shuffled frog leaping algorithm. Hence, the EFO-supervised neural network can be a promising tool for the early prediction of SIr in practice. The findings of this research may shed light on the use of advanced intelligent models for efficient energy development.

After 40 years of the discovery of metallocene catalysts, there are still several aspects that remain unresolved, especially when the “conventional” alkylaluminum activators are not used. Herein, we systematically investigate the synthesis of PE via three different zirconocene catalysts, with different alkyl substituents, activated via different organoboron compounds. The polymerization behavior, as well as the properties of the materials, are evaluated. The results demonstrate that the highest catalytic activity is shown by Bis(cyclopentadienyl)dimethylzirconium activated by trityl tetra(pentafluorophenyl)borate. Also finding that toluene is the optimum solvent for these systems and at these reaction conditions. Moreover, to validate our experimental results, a comprehensive mathematical model is developed on the basis of thermodynamic and kinetic principles. The concentration of ethylene transferred to the solvent phase (toluene) in a liquid-vapor equilibrium (LVE) system is estimated based on the Duhem’s theorem. Arrhenius expressions for the kinetic rate constants of a proposed kinetic mechanism are estimated by a kinetic model, in which the rate of polymerization is fitted by a least-square optimization procedure and the molecular weight averages by the method of moments. The simulations of the coordination polymerization suggest the presence of two types of active sites, principally at low temperatures, and the reactivation of the deactivated sites via a boron-based activator. However, the effect of the temperature on the reactivation step is no clear; a deeper understanding via designed experiments is required.

We present a class of efficient parametric closure models for 1D stochastic Burgers equations. Casting it as statistical learning of the flow map, we derive the parametric form by representing the unresolved high wavenumber Fourier modes as functionals of the resolved variables’ trajectory. The reduced models are nonlinear autoregression (NAR) time series models, with coefficients estimated from data by least squares. The NAR models can accurately reproduce the energy spectrum, the invariant densities, and the autocorrelations. Taking advantage of the simplicity of the NAR models, we investigate maximal and optimal space-time reduction. Reduction in space dimension is unlimited, and NAR models with two Fourier modes can perform well. The NAR model’s stability limits time reduction, with a maximal time step smaller than that of the K-mode Galerkin system. We report a potential criterion for optimal space-time reduction: the NAR models achieve minimal relative error in the energy spectrum at the time step where the K-mode Galerkin system’s mean CFL number agrees with the full model’s.

The semi-logarithmic plot of the cumulative number of cases of epidemics resembles the response of a first-order systems for a step load. This similarity was utilized to develop a first order model that can be used for extracting information about the dynamics of infectious disease epidemics. The developed model was validated using COVID-19 data of China. It was also heuristically fitted to other 13 countries. Obtained results indicated that the model can reliably forecasts the number of infected person, epidemic growth speed towards steady-state condition (process time constant, T), and time to reach steady-state condition (4T). The developed model will help public health authorities in developing more effective control strategies of epidemics.

Differential equation models to understand interaction between plant and nutrient solution are presented. The root cells selectively emit H+ ions with active transport consuming ATPs to establish electrical gradient along the cell membrane. It establishes electrical field with Nernst potential to make positively charged ions outside the cell membrane flow into the root cell. Anion influx is also modulated by H+ ion concentration because plant root cell absorbs negatively charged particles with symport. If an anion collides with H+ cell to make net charge as neutral, at symport channel, it can flow through. In this paper, mathematical models for cation and anion absorption are introduced. Cation absorption model was induced from Ohm's law combined with Goldman's equation. Anion absorption model is similar to chemical reaction rate model. Both models have physiological terms influenced by gene expression pattern, species or phenotypes. Cation model also includes terms for ion's kinetic and electrical properties, growth of plant and interaction between the root and the surroundings. Simulation for 20 different sets of coefficients showed that the physiology-related coefficient has important role on nutrition absorption tendencies of plants.

We introduce tools to capture the dynamics of three different pathways, in which the synchronization of human decision making could lead to turbulent periods and contagion phenomena in financial markets. The first pathway is caused when stock market indices, seen as a set of coupled integrate-and-fire oscillators, synchronize in frequency. The integrate-and-fire dynamics happens due to "change blindness", a trait in human decision making where people have the tendency to ignore small changes, but take action when a large change happens. The second pathway happens due to feedback mechanisms between market performance and the use of certain (decoupled) trading strategies. The third pathway occurs through the effects of communication and its impact on human decision making. A model is introduced in which financial market performance has an impact on decision making through communication between people. Conversely, the sentiment created via communication has an impact on financial market performance.

This article takes an approach to explaining the behavioral manifestations of the decision making in US companies’ offer of health insurance that is grounded not only on their cost minimizing behavior, but also in a humanness dimension based on the African concept of Ubuntu. In this way, we define an Ubuntu based Random Utility modeling framework, describing the choice process as a tripartite decision making, and implemented using a nationally representative random sample of 1,061 American companies from the Dunn and Bradstreet Business data, supplied by Survey Sampling International to the Associated Press-NORC Center for Public Affairs Research. The results from the three sequentially implemented specifications showed that the relationship between management culture and health plan offering strategy is dependent on other relevant co-variates, which when left out, leads to the problem of omitted variables bias. However, when all variables are included but assumed to enter the relationship exogenously, this results in management culture not having any statistically significant effect on companies' decisions about scope of health plan offering. When the exogeneity assumption is relaxed through a recursively Bivariate Probit model, the system of two equations produces a highly significant management culture effect. In fact, in this later case we see that companies with groups and formal committee management culture are 1.58 times less likely to choose a multiple plan strategy over a single plan strategy, hence failing to show the more wholesome plan offering that would theoretically prevail under Ubuntu style management.

Information regarding the cost of a construction project is available to the investor and project participants in order to determine the subsequent success of a project, given that the information they collect has an impact on the decisions they make. Cost calculations, especially in the initial phase of a project, often generate large errors. This paper presents the new approach based on a combination of the Case Based Reasoning method (CBR) with the originally selected criteria for the description of a construction project (as a result of Pearson correlation coefficient and Spearman's rank correlation coefficient) and Building Information Modeling (BIM) technology. The CBR method fulfils expectations for a simple and fast system supporting the cost estimation process. It does not require any specialist knowledge, so it will be comprehensible to cost estimation practitioners. The BIM-based model gives the opportunity for the calculation of quantity take-offs and enables the use of the information contained in the BIM model in the cost estimation process. In order to prepare the model an appropriate relational database had to be developed. With extensive research, a database of 173 construction projects, including the construction of a sports field, was obtained. There were 14 variables defined originally by authors; however, only 10 (as a result of the correlation analysis) were used for the calculation. Data related to the project were collected in the BIM model. Results estimating the project’s unit price, using the CBR method, were presented and discussed. The Mean Absolute Estimate Error was used to evaluate the model.

Energy storage systems (ESS) are penetrating into various sections of power system through different applications. ESS can be used either as a buffer for intermittent renewable energy sources or as a stand-alone distributed storage for load shifting. ESS use different types of storage devices such as lead-acid batteries, lithium ion batteries, flow batteries, and super-capacitors. Hybrid ESS consisting of few types of storage devices are also common in practice. Determining the load demand of such ESSs at various instances (charging profile) accurately is indispensable in most of the cases. Capacity loss is common phenomenon that occurs in all types of storage devices because of ageing. Capacity loss has to be accounted while determining the charging profile of storage devices for better accuracy. Data-driven modeling is an attractive approach for determining the load demand of ESS due to the availability of valuable data from smart grid technologies. In this paper, the application of different types of data-driven models to predict the current charging profile of the ESS based on previous charging profiles is examined. The proposed method can leverage on the existing data from smart grid and is a black box modeling approach.

A novel method based on a hybrid incremental modeling approach has been designed and applied to imbalance detection in ultra-high precision rotating machines. The model is obtained by a two-step iterative process that combines an overall model (least-squares fitting) with a local model (fuzzy k-nearest-neighbour) to take advantage of their complementary capacities. Three normalization strategies of evaluating the effect on accuracy are analyzed. A comparative study demonstrates that the hybrid incremental model provides better error-based performance indices for detecting imbalance than a nonlinear regression model and an adaptive neural-fuzzy inference system model. The suitability of Mahanolobis normalization for hybrid incremental modeling is also demonstrated in this case study. The proposed strategy for imbalance detection is simple, fast, and non-intrusive, reducing the deterioration in the performance of ultra-high precision rotating machines due to vibrations.

Identification of costs drivers and their influence level on building development costs play a key role in the development of construction models and improve the efficiency and effectiveness of any project. Forty-five indicators influencing building development costs in New Zealand are explored by literature review and pilot interviews. These indicators are grouped into seven categories. The determination and ranking of the cost drivers are carried out by a questionnaire survey distributed to key professionals working in New Zealand’s construction industry. Structural equation modeling (SEM) software was employed for analysis of the collected data. One of the key advantages of this powerful software is to provide the p-value according to the structure of the research model. Findings of this study indicate that the property market and construction industry factor, statutory and regulatory factor, and socio-economic factor are major factors affecting building development costs in New Zealand.

Hydrological processes are complex to compute on hilly areas when compared to the plain areas. Most of the hydrological model do not take into account the critical rainfall-runoff generation processes such as subsurface storm flow, saturation excess flow, overland flow, return flow and pipe storage. The simulations of the above processes in the soil matrix requires detailed hillslope hydrological modelling. In present study, a hillslope experimental plot is designed to study the runoff generation processes on the plot scale. The setup is designed keeping in view the natural hillslope conditions prevailing in the north western Himalayas, India where high intensity storm event occurs frequently. Using the experimental data and the developed conceptual model, the overland flow and the subsurface flow through macropore dominated area has been estimated/analyzed on the pixel basis. Over the experimental hillslope plot, a rainfall simulator was installed to generate the rainfall intensity in the range of 15 to 150 mm/hr which represented the dominating rainfall intensity range in the region. Soil moisture sensors were also installed at 100 mm and 300 mm depth at different locations of the plot to observe soil moisture variations. It was found that once the soil is saturated, it remains in the field capacity for next 24-36 hours. Such antecedent moisture conditions are most favorable for the generation of rapid stormflow from hillslopes. Dye infiltration test was also performed on the undisturbed soil column to observe the macropore fraction variability over the vegetated hillslopes. The surface runoff predicted using the developed hillslope hydrological model compared well with the observed surface runoff under high intensity rainfall conditions.

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

Freeze-drying is a well-established process in biomedical engineering for the fabrication of three-dimensional open-porous medical devices, especially those based on biopolymers. One of the most used biopolymers in this field is collagen, the most abundant protein in the human body and the main component of the extracellular-matrix, as well as its derivatives. Freeze-dried collagen-based sponges with a wide variety of attributes can be produced by design and have led to a wide range of successful commercial medical devices, foremost for dental, orthopedic, hemostatic and neuronal applications. However, this is still considered a high-cost and time-consuming process that is often used in a non-optimized manner. By combining advances in other technological fields, the opportunity arises to further evolve this process in a sustainable manner, and optimize the resulting products as well as create new opportunities in this field.

There is a growing need for an area-wide knowledge of SOC contents in agricultural soils at field scale for food security, monitoring long-term changes related to soil health and climate change. In Germany, large-scale SOC maps are mostly available with a spatial resolution of 250 m to 1 km2. The nationwide availability of both digital elevation models at various spatial resolutions and multi-temporal satellite imagery enables the derivation of multi-scale terrain attributes and Landsat-based multi-temporal soil reflectance composites (SRC) as explanatory variables. On the example of an Bavarian test of about 8000 km2, the scale-specific dependencies between the representativeness of 220 soil samples and different aggregation levels of the explanatory variables were analyzed for their scale-specific predictive power. The aggregation levels were generated by applying a region-growing segmentation procedure, the SOC content prediction was realized by the Random Forest algorithm. In doing so, established approaches of (geographic) object-based image analysis (GEOBIA) and machine learning were combined. The modeling results revealed scale-specific differences. Compared to terrain attributes, the use of SRC parameters lead to a significant model improvement at large field-related scale levels. The joint use of both terrain attributes and SRC parameters resulted in further model improvements. The best modeling variant is characterized by an accuracy of R2=0.84 and RMSE=1.99.

Additive manufacturing (AM) is an attractive technology for manufacturing industry due to flexibility in design and functionality, but inconsistency in quality is one of the major limitations that does not allow utilizing this technology for production of end-use parts. Prediction of mechanical properties can be one of the possible ways to improve the repeatability of the results. The part placement, part orientation, and STL model properties (number of mesh triangles, surface, and volume) are used to predict tensile modulus, nominal stress and elongation at break for polyamide 2200 (also known as PA12). EOS P395 polymer powder bed fusion system was used to fabricate 217 specimens in two identical builds (434 specimens in total). Prediction is performed for XYZ, XZY, ZYX, and Angle orientations separately, and all orientations together. The different non-linear models based on machine learning methods have higher prediction accuracy compared with linear regression models. Linear regression models have prediction accuracy higher than 80% only for Tensile Modulus and Elongation at break in Angle orientation. Since orientation-based modeling has low prediction accuracy due to a small number of data points and lack of information about material properties, these models need to be improved in the future based on additional experimental work.

Physics-informed machine learning (PIML) refers to the emerging area of extracting physically relevant solutions to complex multiscale modeling problems and has enjoyed significant interest from the research community. This paper discusses the recent critical advancements in the PIML domain. Novel methods and applications of domain decomposition in physics-informed neural networks (PINN) in particular are highlighted. Additionally, we explore recent Works toward utilizing neural operator learning to intuit relationships in physics systems traditionally modeled by sets of complex governing equations and solved with expensive differentiation techniques. Finally, expansive applications of traditional physics-informed machine learning and potential limitations are discussed. In addition to summarizing recent work, we propose a novel taxonomic structure to catalog physics-informed machine learning based on how the physics-information is derived and injected into the machine learning process. The taxonomy assumes the explicit objectives of facilitating interdisciplinary collaboration in methodology, thereby promoting a wider characterization of what types of physics-problems are served by the physics-informed learning machines, and assisting in identifying apt targets for future work. To summarize, the major twofold goal of this work is to summarize recent advancements and introduce a taxonomic catalog for applications of physics-informed machine learning.

Liquid propellants are fast becoming attractive for pulsed plasma thrusters due to their high efficiency and low contamination issues. However, the complete plasma interaction and acceleration processes are still not very clear. Present paper develops a multi-layer numerical model for liquid propellant PPTs. The model proposes a possible acceleration mechanism for liquid fed pulsed plasma thrusters and accurately predicts the propellant utilization capabilities and estimations for the fraction of propellant gas that is completely ionized and accelerated to high exit velocities. Validation of the numerical model and the assumptions on which the model is based on is achieved by comparing the experimental results from two different liquid-fed thrusters developed at the University of Tokyo. Results show 50% of liquid propellant injected is completely ionized and accelerated to high exit velocities (> 50Km/s), whereas, neutral gas contribute to only 7% of the total specific impulse and accelerated to low exit velocity (< 4Km/s). The model shows an accuracy up-to 92%. Optimization methods are briefly discussed to ensure efficient propellant utilization and performance. The model acts as a tool to understand the background physics and to optimize the performance for liquid-fed PPTs.

Background: Permanent Daylight Savings Time (DST) may improve road safety by providing more daylight in the evening but could merely shift risk to morning commutes or increase risk due to fatigue and circadian misalignment. Methods: To identify how potential daylight exposure and fatigue risk could differ between permanent DST versus permanent Standard Time (ST) or current time arrangements (CTA), generic work and school schedules in five United States cities were modeled in SAFTE-FAST biomathematical modeling software. Commute data were categorized by morning (0700-0900) and evening (1600-1800) rush hours. Results: Percent darkness was greater under DST compared to ST for the total waking day (t=2.59, p=0.03) and sleep periods (t=2.46, p=0.045). Waketimes occurred before sunrise 63%±41% percent of the time under DST compared to CTA (42%±37%) or ST (33%±38%; F(2, 74)=76.37; p<0.001). Percent darkness was greater during morning (16%±31%) and lower during evening rush hour (0%±0%) in DST compare to either CTA (morning:7%±23%; evening:7%±14%) or ST (morning:7%±23%; evening:7%±15%). Discussion: Morning rush hour overlapped with students’ commutes and shift worker reverse commutes, which may increase traffic congestion and risk compared to evening rush hour. Switching to permanent DST may be more disruptive than either switching to ST or keeping CTA without noticeable benefit to fatigue or potential daylight exposure.

Abstract: To overcome the environmental impact of cement production in cocnrete , the construction industry is adopting eco-friendly approaches, such as incorporating alternative and recycled materials, minimizing carbon emissions in concrete production. One such material that has gained prominence is Ground Granulated Blast Furnace Slag (GGBFS),. This study focuses on investigating the compressive strength of concrete at 28 days of age by examining the influences of several factors, such as temperature, water-to-binder ratio (w/b), GGBFS-to-binder ratio (GGBFS/b), fine aggregate, coarse aggregate, and superplasticizer. A statistical modeling approach was employed to comprehensively analyze these parameters and assess their impact on the compressive strength. To accomplish this, the study collected and analyzed data from the literature, resulting in a dataset of 210 observations. The dataset was divided into training and testing groups, and statistical analyses were performed to assess the relationships between the input parameters and compressive strength. The correlation analysis revealed insignificant relationships between the input parameters and compressive strength, indicating that multiple factors affect the strength. Different models, such as linear regression, nonlinear regression, quadratic, full quadratic models, and artificial neural networks (ANN) were employed to predict the compressive strength. The findings of this study contribute to a better understanding of the factors that influence the compressive strength of concrete containing GGBFS. The results underscore the importance of considering multiple parameters to predict strength accurately.

Specialized classes of proteins, working together in a tightly orchestrated manner, induce and maintain highly curved cellular and organelles membrane morphology. Due to the various ex- perimental constraints, including the resolution limits of imaging techniques, it is non-trivial to accurately elucidate interactions among the various components involved in membrane deformation. The spatial and temporal scales of the systems also make it formidable to investigate them using simulations with molecular details. Interestingly, mechanics-based mesoscopic models have been used with great success in recapitulating the membrane defor- mations observed in experiments. In this review, we collate together and discuss the various mechanics based mesoscopic models for protein-mediated membrane deformation studies. In particular, we provide an elaborate description of a mesoscopic model where the membrane is modeled as a triangulated sheet and proteins are represented as either nematics or fila- ments. This representation allows us to explore the various aspects of protein-protein and protein-membrane interactions as well as examine the underlying mechanistic pathways for emergent behavior such as curvature-mediated protein localization and membrane deforma- tion. We also put forward current efforts in the field towards back-mapping these mesoscopic models to finer-grained particle based models - a framework that could be used to explore how molecular interactions propagate to physical scales and vice-versa. We end the review with an integrative-modeling based road map where experimental imaging micrograph and biochemical data are combined with mesoscopic and molecular simulations methods in a theoretically consistent manner to faithfully recapitulate the multiple length and time scales in the membrane remodeling processes.

The irregular timing and spatial variation in zoonotic arbovirus spillover from vertebrate hosts to humans and livestock present challenges to predicting their occurrence from year to year and within their broader geographic range, compromising effective prevention and control strategies. The objective of this study was to quantify effects of landscape composition and configuration and dynamic temperature and precipitation values on the 2018 spatiotemporal distribution of eastern equine encephalitis virus (EEEV) (Togaviridae, Alphavirus) and West Nile virus (WNV) (Flaviviridae, Flavivirus) sentinel chicken seroconversion in northeastern Florida using Earth Observation (EO) data and a modeling framework that incorporated joint spatial and temporal effects. We investigated environmental effects using Bernoulli generalized linear mixed effects models (GLMMs) including a site level random effect, and then added spatial random effects and spatiotemporal random effects in subsequent runs. Models were executed using integrated nested Laplace approximation (INLA) and a stochastic partial differential equation (SPDE) approach in R-INLA. GLMMs that included a spatiotemporal random effect performed better relative to models that included only spatial random effects and better than non-spatial models. Results indicated strong spatiotemporal structure in seroconversion for both viruses, but EEEV exhibited more punctuated and compact structure at the beginning of the sampling season, while WNV exhibited more gradual and diffuse structure across the study area toward the end of the sampling season. Percentage of cypress/tupelo wetland land cover within 3500 m of coop sites and edge density of forest land cover within 500 m had a strong positive effect on EEEV seroconversion, while the best fitting model for WNV was the intercept only model with spatiotemporal random effects. Lagged temperature and precipitation variables included in our study did not have a strong effect on seroconversion for either virus when accounting for temporal autocorrelation, demonstrating the utility of capturing this structure to avoid Type I errors. Predictive accuracy on out-of-sample data for EEEV seroconversion demonstrates the potential to develop a temporally dynamic framework to predict arbovirus transmission.

This paper introduces an Agent-Based Model (ABM) for investigating the dynamics of the Internet of Things (IoT) ecosystem, specifically focusing on dynamic coalition formation among IoT Service Providers (SPs). Extending our prior work in 5G network modeling, the ABM captures intricate interactions among device, network operator, SP, and customer agents, offering a versatile framework for studying IoT ecosystem dynamics. The simulation portrays the adaptive nature of collaborations, providing insights into the role of dynamic coalition formation in shaping the collaborative landscape of IoT.

A low-cost machine learning (ML) algorithm is proposed and discussed for spatial tracking of unknown, correlated signals in localized, ad-hoc wireless sensor networks. Each sensor is modeled as one neuron and a selected subset of these neurons are called to identify the spatial signal. The algorithm is implemented in two phases of spatial modeling and spatial tracking. The spatial signal is modeled using its M iso-contour lines at levels {ℓj}j=1M and those sensors that their sensor observations are in Δ margin of any of these levels report their sensor observations to the fusion center (FC) for spatial signal reconstruction. In spatial modeling phase, the number of these contour lines, their levels and a proper Δ are identified. In this phase, the algorithm may either use adaptive-weight stochastic gradient or scaled stochastic gradient method to select a proper Δ. Additive white Gaussian noise (AWGN) with zero mean is assumed along with the sensor observations. To reduce the observation noise’s effect, each sensor applies moving average filter on its observation to drastically reduce the effect of noise. The modeling performance, the cost and the convergence of the algorithm are discussed based on extensive computer simulations and reasoning. The algorithm is proposed for environmental monitoring. In this paper, the percentage of the communication attempts of wireless sensors is assumed as cost. Performance evaluation results show that the proposed spatial tracking approach is low cost and can model the spatial signal over time with the same performance as that of spatial modeling.

Tailed phages are the most abundant and diverse group of viruses on the planet. Yet, the smallest tailed phages display relatively complex capsids and large genomes compared to other viruses. The lack of tailed phages forming the common icosahedral capsid architectures T = 1 and T = 3 is puzzling. Here, we extracted geometrical features from high-resolution tailed phage capsid reconstructions and built a statistical model based on physical principles to predict the capsid diameter and genome length of the missing small tailed phage capsids. We applied the model to 3,348 isolated tailed phage genomes and 1,496 gut metagenome-assembled tailed phage genomes. Four isolated tailed phages were predicted to form T = 3 icosahedral capsids, and twenty-one metagenome-assembled tailed phages were predicted to form T < 3 capsids. The smallest capsid predicted was a T = 4/3 ≈ 1.33 architecture. No tailed phages were predicted to form the smallest icosahedral architecture, T = 1. We discuss the feasibility of the missing T = 1 tailed phage capsids and the implications of isolating and characterizing small tailed phages for viral evolution and phage therapy.

Finely ground glass has the potential for pozzolanic reactivity and can serve as a supplementary cementitious material (SCM). Glass reaction kinetics depends on both temperature and glass composition. Microstructural modeling is a helpful approach to get better understanding of cement hydration and microstructure development. Mechanical and performance properties of concrete are directly related to the development of concrete microstructure, which is the consequence of progress in cement hydration. This study initially provides a comprehensive background about cement hydration process and microstructural modeling of the hydration. It then utilizes results of experimental studies, i.e. isothermal calorimetry and thermogravimetric analysis, to find kinetics equation parameters called “Avrami Constants”. For the first time, these constants were found for three main components of cement, i.e. C₃S, C₂S, and C₃A, and also for glass particles smaller than 25 µm. Although modeling of cement hydration and cementitious systems containing single glass particles showed promising results, simulations of combined glass types and sizes showed that more work on microstructural models is needed to properly model the reactivity of mixed glass particle systems.

Permeability is an important transport property of porous materials, and its accurate evaluation is relevant in studying applied tasks such as CO2 injection into reservoirs and investigating groundwater quality issues. This study examines the dependence of permeability on total and connected porosity, hydraulic tortuosity, specific surface area, and mean pore radius based on the data of 408 cubic sub-volumes extracted from heterogeneous and naturally fractured cylindrical carbonate samples before and after injection of HCl solutions into them. These parameters were computed using pore-scale modeling of fluid flow. It has been shown that permeability correlates well with porosity and mean pore radius with correlation coefficients of R2≈0.65-0.79 for heterogeneous samples. It was found that the presence of natural fractures significantly influenced the relationship between permeability and other parameters. The relationship between permeability k, tortuosity τ, and specific surface area S is described by power laws k~τ-α and k~S-β, with coefficients α and β substantially exceeding those in the Kozeny-Carman equation. It was also found that there is a parabolic relationship between connected and total porosities both before and after rock dissolution with R2≈0.96-0.99. This allowed for estimation of percolation threshold porosity that are in good agreement with the literature data.

A mathematical model given by a two - dimensional differential system is introduced in order to understand the transition process from the normal hematopoiesis to the chronic and accelerated acute stages in chronic myeloid leukemia. A previous model of Dingli and Michor is refined by introducing a new parameter in order to differentiate the bone marrow microenvironment sensitivities of normal and mutant stem cells. In the light of the new parameter, the system now has three distinct equilibria corresponding to the normal hematopoietic state, to the chronic state, and to the accelerated acute phase of the disease. A characterization of the three hematopoietic states is obtained based on the stability analysis. Numerical simulations are included to illustrate the theoretical results.

This report describes the collection of a large dataset (6930 measurement) on dimensional error in the fused deposition modeling (FDM) additive manufacturing process for full-density parts. Three different print orientations were studied, as well as seven raster angles (0°, 15°, 30°, 45°, 60°, 75°, and 90°) for the rectilinear infill pattern. All measurements were replicated ten times on ten different samples to ensure a comprehensive dataset. Eleven polymer materials were considered: acrylonitrile butadiene styrene (ABS), polylactic acid (PLA), high-temperature PLA, wood-composite PLA, carbon-fiber-composite PLA, copper-composite PLA, aluminum-composite PLA, high-impact polystyrene (HIPS), polyethylene terephthalate glycol-enhanced (PETG), polycarbonate, and synthetic polyamide (nylon). The samples were ASTM-standard impact testing samples, since this geometry allows the measurement of error on three different scales; the nominal dimensions were 3.25mm thick, 63.5mm long, and 12.7mm wide. This dataset is intended to give engineers and product designers a benchmark for judging the accuracy and repeatability of the FDM process for use in manufacturing of end-user products.

Physics-informed neural networks are a promising method to yield surrogate models of flow fields. We present a metamodeling technique for variable geometries based on physics-informed neural networks. The method was applied to the DU99W350 airfoil at a Reynolds number of 1×10⁵. The model predicted the Reynolds-averaged velocity and pressure field around the airfoil for arbitrary angles of attack between 10.0° and 17.5°. The model was trained with data from CFD simulations for a limited set of angles of attack. Additionally, satisfaction of the a priori known boundary conditions as well as the Reynolds-averaged Navier-Stokes equations were trained. A sensitivity analysis concerning the Reynolds number, the amount and distribution of training data, and the turbulence model was conducted showing the superiority of the pseudo-Reynolds stress method and the demand of labeled training data in the domain. The trained network was capable of predicting the developing flow separation on the suction surface and exhibited excellent agreement with CFD results even in the proximity to the wall for interpolations as well as extrapolations from the labeled data set.

This article presents a mathematical model that captures the temporal dynamics of efficiencies in the responses to pleasure and pain, represented by $k_P(t)$ and $k_D(t)$, as well as the interaction factor $k_{PD}(t)$ between cortisol and dopamine. The model allows for the analysis of how these parameters evolve over time as a function of an individual's activities and physiological states, incorporating processes of tolerance, sensitization, and homeostasis. We present the updated differential equations, qualitative analyses, potential simulation scenarios, implications, and potential applications of the model.

This work presents a novel approach to construct surrogate models of parametric Differential Algebraic Equations based on a tensor representation of the solutions. The procedure consists in building simultaneously, for every output of the reference model, an approximation given in tensor-train format. A parsimonious exploration of the parameter space coupled with a compact data representation allows to alleviate the curse of dimensionality. The approach is thus appropriate when many parameters with large domains of variation are involved. The numerical results obtained for a nonlinear elasto-viscoplastic constitutive law show that the constructed surrogate model is sufficiently accurate to enable parametric studies such as the calibration of material coefficients.

The bottleneck in creating dynamic models of biological networks and processes often lies in estimating unknown kinetic model parameters from experimental data. In this regard, experimental conditions have a strong influence on parameter identifiability and should therefore be optimized to give the maximum information for parameter estimation. Existing model-based design of experiment (MBDOE) methods commonly rely on the Fisher Information Matrix (FIM) for defining a metric of data informativeness. When the model behavior is highly nonlinear, FIM-based criteria may lead to suboptimal designs since the FIM only accounts for the linear variation of the model outputs with respect to the parameters. In this work, we developed a multi-objective optimization (MOO) MBDOE, where model nonlinearity was taken into consideration through the use of curvature. The proposed MOO MBDOE involved maximizing data informativeness using a FIM-based metric and at the same time minimizing the model curvature. We demonstrated the advantages of the MOO MBDOE over existing FIM-based and other curvature-based MBDOEs in an application to the kinetic modeling of fed-batch fermentation of Baker's yeast.

Relative contribution of different repair pathways to the radiation-induced DNA damage responses remains a challenging issue of studying the radiation injury endpoints. Comparative manifestation of homologous recombination (HR) after application of different radiation doses greatly determines an overall effectiveness of recovery in dividing cell after irradiation, since HR is an error-free mechanism intended for repair of DNA double strand breaks (DSB) during S/G2 phases of cell cycle. In this article, we present an experimentally observed evidence of dose-dependent shift in relative contribution of HR in human fibroblasts after X-ray exposure at doses 20-1000 mGy, which is also supported by quantitative modeling of DNA DSB repair. Our findings indicate that the radiation dose increase leads to dose-dependent decrease in relative contribution of HR into the entire repair process.

New series of compounds containing both heterocycle moieties and pseudo-symmetric hydroxyethylamine core were obtained using a simple synthetic path that can provide a library of compounds in few steps and high yields. Furthermore, diversity-oriented synthesis was studied to change different functionalities according to needs. The in vitro inhibition activity against recombinant HIV-1 protease was evaluated. A beneficial effect of this class of compounds can be obtained either for the presence of a bis-benzyl group into the core and for the heterocyclic moiety in P1, specifically the indole ring. Docking analysis was also reported.

Wildland fires are responsible for large socio-economic impacts. Fires affect the environment, damage structures, threaten lives, cause health issues, and involve large suppression costs. These impacts can be mitigated via accurate fire spread forecast to inform the incident management team. We show that a fire forecast system based on a numerical weather prediction (NWP) model coupled with a wildland fire behavior model can provide this forecast. This is illustrated with the Chimney Tops II wildland fire responsible for large socio-economic impacts. The system is run at high horizontal resolution (111 m) over the region affected by the fire to provide a fine representation of the terrain and fuel heterogeneities and explicitly resolve atmospheric turbulence. Our findings suggest that one can use the high spatial resolution winds, fire spread and smoke forecast to minimize the adverse impacts of wildland fires.

Three finger toxins (3FTX) are a group of peptides that affect multiple receptor types. One group of proteins affected by 3FTX are nicotinic acetylcholine receptors (nAChR). Structural information on how neurotoxins interact with nAChR is limited and are confined to a small group of neurotoxins. Therefore, in silico methods are valuable in understanding the interactions between 3FTX and different nAChR subtypes, but there are no established protocols to model 3FTX – nAChR interactions. We developed a homology modeling and protein docking protocol to address this issue and tested its success on three different systems. First, neurotoxin peptides co-crystallized with acetylcholine binding protein (AChBP) were re-docked to assess whether Rosetta protein – protein docking can reproduce the native poses. Second, experimental data on peptide binding to AChBP was used to test whether the docking protocol can qualitatively distinguish AChBP-binders from non-binders. Finally, we docked eight peptides with known α7 and muscle-type nAChR binding properties to test whether the protocol can explain the differential activities of the peptides at the two receptor subtypes. Overall, our docking protocol succeeded in predicting both qualitative and specific aspects of 3FTX binding to nAChR and shed light on some unknown aspects of 3FTX binding to different receptor subtypes.

Latent Tuberculosis Infection (LTBI) poses a significant public health challenge, especially in populations with high HIV prevalence and limited healthcare access. Early detection and targeted interventions are essential to prevent the progression of active tuberculosis. This study develops predictive models for LTBI outcomes using logistic regression and machine learning approaches and evaluates strategies to improve LTBI awareness and testing. Data from rural areas in the Eastern Cape, South Africa, were analyzed to identify key demographic, health, and knowledge-related factors influencing LTBI outcomes. Logistic regression was employed to pre-dict LTBI positivity based on factors such as age, education, and HIV status. Machine learning models, including decision trees and random forests, were also applied to compare predictive accuracy. A knowledge diffusion model was used to assess the impact of educational interventions on increasing LTBI awareness and testing rates. Logistic regression achieved an accuracy of 66.67% with high precision (80%) but low recall (33%) for LTBI-positive cases, identifying age, HIV status, and LTBI awareness as significant predictors. The random forest model outperformed logistic regression in accuracy (59.26%) and F1-score (0.63), providing a better balance between precision and recall. Feature importance analysis revealed that age, occupation, and knowledge of LTBI symptoms were the most critical factors across both models. The knowledge diffusion model demonstrated that targeted interventions significantly increased LTBI awareness and testing, particularly in high-risk groups. While logistic regression offers more interpretable results for public health interventions, machine learning models like random forests provide enhanced predictive power by capturing complex relationships between demographics and health factors. These findings highlight the need for targeted educational campaigns and increased LTBI testing in high-risk populations, particularly those with limited awareness of LTBI symptoms.

In this study, we present case studies to explore the dynamics of implementation and maintenance of health interventions. We analyze how specific interventions are built and eroded, how the building and erosion mechanisms are interconnected, and why we can see significantly different erosion rates across otherwise similar organizations. We use multiple comparative obesity prevention case studies to provide empirical information on the mechanisms of interest, and use qualitative systems modeling to integrate our evolving understanding into an internally consistent and transparent theory of the phenomenon. Our preliminary results identify reinforcing feedback mechanisms, including design of organizational processes, motivation of stakeholders, and communication among stakeholders, which influence implementation and maintenance of intervention components. Over time, these feedback mechanisms may drive a wedge between otherwise similar organizations, leading to distinct configurations of implementation and maintenance processes.

This article presents a comprehensive framework for valuing financial instruments subject to credit risk. In particular, we focus on the impact of default dependence on asset pricing, as correlated default risk is one of the most pervasive threats in financial markets. We analyze how swap rates are affected by bilateral counterparty credit risk, and how CDS spreads depend on the trilateral credit risk of the buyer, seller, and reference entity in a contract. Moreover, we study the effect of collateralization on valuation, since the majority of OTC derivatives are collateralized. The model shows that a fully collateralized swap is risk-free, whereas a fully collateralized CDS is not equivalent to a risk-free one.

Residual stress (RS) is the most challenging problem in metal additive manufacturing (AM) since the build-up of high tensile RS may influence the fatigue life, corrosion resistance, crack initiation, and failure of the additively manufactured components. While tensile RS is inherent in all the AM processes, fast and accurate prediction of stress state within the part is extremely valuable and would result in optimization of the process parameters in achieving a desired RS and control of the build process. This paper proposes a physics-based analytical model to rapidly and accurately predict the RS within the additively manufactured part. In this model, a transient moving point heat source (HS) is utilized to determine the temperature field. Due to the high temperature gradient within the proximity of the melt pool area, material experience high thermal stress. Thermal stress is calculated by combining three sources of stresses known as stresses due to the body forces, normal tension, and hydrostatic stress in a homogeneous semi-infinite medium. The thermal stress determines the RS state within the part. Consequently, by taking the thermal stress history as an input, both the in-plane and out of plane RS distributions are found from incremental plasticity and kinematic hardening behavior of the metal by considering volume conservation in plastic deformation in coupling with the equilibrium and compatibility conditions. In this modeling, material properties are temperature-sensitive since the steep temperature gradient varies the properties significantly. Moreover, the energy needed for the solid-state phase transition is reflected by modifying the specific heat employing the latent heat of fusion. Furthermore, the multi-layer and multi-scan aspects of metal AM are considered by including the temperature history from previous layers and scans. Results from the analytical RS model presented excellent agreement with XRD measurements employed to determine the RS in the Ti-6Al-4V specimens.

Residual stress (RS) is the most challenging problem in metal additive manufacturing (AM) since the build-up of high tensile RS may influence the fatigue life, corrosion resistance, crack initiation, and failure of the additively manufactured components. While tensile RS is inherent in all the AM processes, fast and accurate prediction of stress state within the part is extremely valuable and would result in optimization of the process parameters in achieving a desired RS and control of the build process. This paper proposes a physics-based analytical model to rapidly and accurately predict the RS within the additively manufactured part. In this model, a transient moving point heat source (HS) is utilized to determine the temperature field. Due to the high temperature gradient within the proximity of the melt pool area, material experience high thermal stress. Thermal stress is calculated by combining three sources of stresses known as stresses due to the body forces, normal tension, and hydrostatic stress in a homogeneous semi-infinite medium. The thermal stress determines the RS state within the part. Consequently, by taking the thermal stress history as an input, both the in-plane and out of plane RS distributions are found from incremental plasticity and kinematic hardening behavior of the metal by considering volume conservation in plastic deformation in coupling with the equilibrium and compatibility conditions. In this modeling, material properties are temperature-sensitive since the steep temperature gradient varies the properties significantly. Moreover, the energy needed for the solid-state phase transition is reflected by modifying the specific heat employing the latent heat of fusion. Furthermore, the multi-layer and multi-scan aspects of metal AM are considered by including the temperature history from previous layers and scans. Results from the analytical RS model presented excellent agreement with XRD measurements employed to determine the RS in the Ti-6Al-4V specimens.

The most modern technique utilized to create intricate and complexly manufactured parts for a variety of applications is called additive manufacturing (AM). Fused deposition modeling (FDM) has received the greatest attention in the development and manufacturing sectors. The main objective of this study was to investigate how printing factors affected the mechanical characteristics of printed samples. Samples were produced using an FDM 3D printer in compliance with ASTM D638 using a variety of input settings, including orientation, layer thickness, speed, and infill pattern. On the printed samples, tensile tests and morphological analysis using a scanning electron microscope (SEM) were done. The findings of this study demonstrate that factors including layer thickness, printing speed, and orientation significantly affect the tensile strength of ABS printed samples. Discovering the process settings that could lead to superior mechanical and physical characteristics would undoubtedly assist designers and manufacturers worldwide as the FDM 3D printer becomes more and more crucial in manufacturing engineering parts.

RAS oncogenes are amongst the most commonly mutated proteins in human cancers. They regulate a wide range of effector pathways that control cell proliferation, survival, differentiation, migration and metabolic status. Including aberrations in these pathways, RAS dependent signaling is altered in more than half of human cancers. Targeting mutant RAS proteins and their downstream oncogenic signaling pathways has been elusive. However, recent results comprising detailed molecular studies, large scale omics studies and computational modeling have painted a new and more comprehensive portrait of RAS signaling that helps us to understand the intricacies of RAS, how its physiological and pathophysiological functions are regulated, and how we can target them. Here, we review these efforts particularly trying to relate the detailed mechanistic studies with global functional studies. We highlight the importance of computational modeling and data integration to derive an actionable understanding of RAS signaling that will allow us to design new mechanism based therapies for RAS mutated cancers.

The installation of electric vehicle supply equipment (EVSE) increases demand and peak loads, potentially straining existing energy distribution infrastructure. Dispersed and inadequately planned placement of charging points (CPs) can disrupt the electrical grid, surpass contracted demand thresholds, and require infrastructure upgrades, thereby incurring unfeasible costs for Distribution System Operators (DSOs). In this context, it is necessary to recognize the role of business models in enabling effective electrification of the transportation sector. In response to these challenges, this paper introduces a novel e-mobility hub management strategy, tailored for implementation in the Brazilian context. The proposed strategy revolves around a microgrid configuration encompassing dispatchable and photovoltaic generation, a battery energy storage system (BESS), EVSE infrastructure, and local loads. Moreover, this centralized controller facilitates the implementation of dynamic pricing and demand-response mechanisms, integral to business models seeking to integrate EVSE into the distribution grid. To validate the efficacy of the proposed solution, hardware-in-the-loop (HIL) simulations of the microgrid system are conducted. These simulations, incorporating the centralized controller, serve as a tool for assessing system performance and viability before on-site equipment deployment. Finally, this paper concludes with the insights gleaned from test analysis and its discussion through a selection of the most expressive scenarios, including islanded and connected operation modes.

During the period January 2014 – October 2018, four strong earthquakes occurred in the Ionian Sea, Greece. A rich aftershock sequence followed each event of them. More analytically, according to the manual solutions of National Observatory of Athens, the first event (K1), occurred on 26 January 2014 in Kefallinia Island with magnitude M_L = 5.8, which was followed by another in the same region (K2) on 3 February 2014 with magnitude M_L = 5.7. The third event occurred on 17 November 2015, M_L = 6.0 in Lefkas Island (L1) and the last on 25 October 2018, M_L = 6.6 in Zande Island (Z1). The first three of these earthquakes caused moderate structural damages mainly in houses and produced particular unrest to the local population. This work presents first the calculation of the source parameters of the strong events as well as for all earthquakes with magnitude M_L > 4.0, using the methodology of the Moment tensor inversion and secondary data from permanent GPS stations were analyzed to confirm the findings from seismological data and to investigate the displacement due to the earthquakes.

СrAss-like phages play an important role in maintaining ecological balance in the human intestine microbiome. However, their lifestyle and genetic diversity are still insufficiently studied. In this study, a novel CrAssE-Sib phage genome belonging to the epsilon сrAss-like phage genomes was found. Detailed analysis indicated that CrAssE-Sib encodes unusual proteins – DNA primase, virion RNA polymerase, prophage antirepressor, and transcriptional repressor, as well as reverse transcriptase (RT) and receptor binding protein (RBP) that are part of diversity-generating retroelement (DGR). Comparative analysis showed that all epsilon сrAss-like phages are divided into two putative genera, which were proposed to name Epsilonunovirus and Epsilonduovirus; CrAssE-Sib belongs to the first of them. RT from CrAssE-Sib and several Epsilonunoviruses contains a specific motif in its fourth domain that was not previously found in RTs from phage and bacterial DGRs. In addition, RBP from CrAssE-Sib and all Epsilonunoviruses has a unique structure. The presence of the conservative prophage repressor and anti–repressors that belong to the lysogenic-to-lytic cycle switches indicate that CrAssE-Sib and other Epsilonunoviruses could be temperate. Epsilon сrAss-like phage substantially differ from other crAss-like phages, including zeta сrAss-like phages. This fact indicates the need to isolate these phages into a separate family.

With growing city tourism, there is an increasing need for urban travel demand models to consider traffic generated by visitors. Existing research has concentrated on socio-demographic and journey-related factors to determine what influences the mode choice of tourists. In contrast, revealed preference data, like travel time, is almost never considered. In this article, we present the results of discrete choice modeling of city tourists’ mode choice based on revealed preference data from a survey we conducted in Kassel, Germany. We used multinomial logit models and determined the model parameters using maximum likelihood estimations. Surprisingly, travel time played a smaller role in mode choice than understood from previously established knowledge about everyday mobility. In the final model, travel time was only significant for the alternative walking. Also, most other sociodemographic and journey-related variables showed no significant influence. The final model reproduced the mode choice, but the goodness of fit was lower than expected from other research. We conclude that modeling the travel behavior of tourists is more complex than everyday mobility. An alternative approach that we suggest would be to model trip chains rather than single trips.

Background: New open-source electric-grid planning models have the potential to improve power system planning and bring a wider range of stakeholders into the planning process for next-generation, high-renewable power systems. However, it has not yet been established whether open-source models perform similarly to the more established commercial models for power system analysis. This reduces their credibility and attractiveness to stakeholders, postponing the benefits they could offer. In this paper, we report the first model intercomparison between an open-source power system model and an established commercial production cost model. Results: We compare the open-source Switch 2.0 to GE Energy Consulting’s Multi Area Production Simulation (MAPS) for production-cost modeling, considering hourly operation under 17 scenarios of renewable energy adoption in Hawaii. We find that after configuring Switch with similar inputs to MAPS, the two models agree closely on hourly and annual production from all power sources. Comparing production gave a coefficient of determination of 0.996 across all energy sources and scenarios, indicating that the two models agree on 99.6% of the variation. For individual energy sources, the coefficient of determination was 69–100. Conclusions: Although some disagreement remains between the two models, this work indicates that Switch is a viable choice for renewable integration modeling, at least for the small power systems considered here. Although some disagreement remains between the two models, this work indicates that Switch is a viable choice for renewable integration modeling, at least for the small power systems considered here.

This study provides, to our knowledge, the first detailed analysis of how surface oil modifies air-sea interaction in a two-way coupled model, i.e., the coupled-ocean-atmosphere-wave-sediment-transport (COAWST) model modified to account for oil-related changes to air-sea fluxes. This study investigates the effects of oil on surface roughness, surface wind, surface and near surface temperature differences, and boundary-layer stability, and how those conditions ultimately affect surface stress. We first conducted twin coupled modeling simulations with and without the influence of oil over the Deepwater Horizon (DWH) oil spill period (April 21 to May 5, 2010) in the Gulf of Mexico. Then we compared the results by using a modularized flux model with parameterizations selected to match those selected in the coupled model adapted to either ignore or account for different atmospheric/oceanic processes in calculating surface stress. When non-oil inputs to the bulk formula treated as unchanged by oil, the surface stress changes are always negative due to oil-related damping of surface roughness alone. However, the oil-related changes to 10-m wind speed and boundary-layer stability are found to play a dominant role in surface stress changes relative to those due to the oil-related surface roughness changes, highlighting that most of the changes in surface stress are due to the oil-related changes in wind speed and boundary-layer stability. Finally, the oil-related changes to surface stress due to the combined oil-related changes in surface roughness, surface wind, and boundary-layer stability are not large enough to have a major impact on the surface current and surface oil transport, indicating that the feedbacks from the surface oil to the surface oil movement itself are minor for forecasting the surface oil transport unless the fractional oil coverage is much larger than found in this study.

Pinus occidentalis, Swartz is the primary timber species in the Dominican Republic (DR). Despite its economic importance, studies conducted on this species are very scarce, making it difficult to estimate current inventory levels. This study aims to enhance the accuracy of estimating total bole volume of P. occidentalis in different ecological zones (EZs) within La Sierra, evaluating and comparing two established volume equations—combined variable and Schumacher-Hall—across nine modeling variants (MVs). An indicator variables analysis determined the necessity of distinct equations for two EZs. Fitting included both linear and nonlinear models. Our comprehensive statistical analysis included goodness-of-fit metrics to evaluate each model variant's performance rigorously. Modeling variant SH02 was most effective in the Dry Ecological Zone, showing superior performance in both fitting and validation phases. Similarly, SH03 emerged as the best fit for the Combined Intermediate and Humid Ecological Zones, achieving the lowest overall ranking sum among tested variants. The SH equation variants SH02 and SH03, provide reliable and precise volume estimations, allowing optimization of forestry management practices for P. occidentalis trees. The SH models outperformed the CV model variants' consistency in parameter estimation. This tailored approach employed ensures more accurate volume predictions, which is crucial for sustainable management and conservation efforts.

The high-power Asymmetric half-bridge Converter (AHBC) LED constant current driver controlled by digital current mode is a fourth-order system. Static operating point, parasitic resistance, load characteristics, sampling effect, modulation mode and loop delay will have great influence on its dynamic performance. In this paper, the small-signal pulse transfer function of the driver is established by the discrete-time modeling method for the two operating points corresponding to the three modulation modes of the trailing edge, leading edge and double edge. And, the effects of parasitic parameters, delay effect, sampling effect and load effect are fully considered in modeling. For a large number of complex exponential matrix operations, the first order Taylor formula is used for approximate calculation after the coefficient matrix is obtained by substituting the data. Then, Matlab software is used to compare and analyze the discrete-time model and the discrete-average model. The results show that the proposed discrete-time model can more accurately characterize the resonant peak and high-frequency dynamic characteristics, and is very suitable for the design of high frequency digital controller.

Big data-driven machine learning and artificial intelligence (ML/AI) is not all computational social sciences (CSS) have. Agent-based modeling (ABM) or multi-agent system (MAS) is another fundamentally different but equally useful approach in CSS. In fact, the two approaches start from very different orientations and their differences have deeper root in ontology. ML/AI aims to imitate and then surpass human capacities, from sensing to perceiving, reasoning, calculating, and acting. In contrast, ABM seeks to simulate how social outcomes emerge from the complex interactions of agents’ actions within a specific environment. Yet, precisely because these two technologies are different, they can be complementary to each other. There is a bright future for integrating ABM with ML/AI for tackling real world challenges.

This study explores the synergistic integration of Artificial Intelligence (AI) in information technology with photochemical methods to optimize nanoparticle synthesis. By leveraging machine learning algorithms and predictive modeling, we demonstrate significant enhancements in the precision, efficiency, and scalability of nanoparticle production. AI-driven analysis of reaction parameters, optical properties, and structural characteristics enables real-time monitoring and adaptive optimization of photochemical reactions.The developed framework utilizes deep learning techniques to correlate reaction conditions with nanoparticle size, shape, and composition, facilitating the synthesis of tailored nanoparticles for various applications. Results show improved monodispersity, increased yield, and reduced synthesis time compared to traditional methods.This innovative approach paves the way for the rapid development of high-performance nanoparticles in fields such as biomedical imaging, energy storage, and catalysis. By harnessing the power of AI in information technology, this research unlocks new possibilities for the precise and efficient synthesis of nanoparticles via photochemical methods.

This is a methodological contribution to reference mode development in system dynamics model conceptualization. Existing behavior mode taxonomies-developed for various modeling phases-provide no comprehensive method for mode classification based on an exhaustive set of mutually exclusive modes, and derivation of questions the simulation model should answer. Novice modelers need such guidance. The article proposes a conceptual framework for systemic behavior with a hierarchical taxonomy of elementary, composite, and overlaid modes. A structured method identifies the intervals of each respective mode, orders them into episodes and then condenses the variables’ episodes to systemic episodes. Each transition then gives rise to a fundamental question for the model under development. Three classical cases illustrate the application and contrast the proposed taxonomy to others in the extant literature. The article then discusses some validation criteria referring to reference modes and their link to the dynamic hypothesis, current limitations, and questions for further research.

Many systems in the manufacturing industry have spatial distribution characteristics, which correlate with both time and space. Such systems are known as distributed parameter systems (DPS). Due to the spatiotemporal coupling characteristics, the modeling of such systems is quite complex. The paper presents a new approach for three-dimensional fuzzy modeling using Simultaneous Perturbation Stochastic Approximation (SPSA) for nonlinear DPS. The Affinity Propagation clustering approach is utilized to dynamically determine the optimal number of fuzzy rules and construct a collection of preceding components for three-dimensional fuzzy models. Fourier space base functions are used in the resulting components of three-dimensional fuzzy models, and their parameters are learned by the SPSA algorithm. The proposed three-dimensional fuzzy modeling technique was utilized on a conventional DPS within the semiconductor manufacturing industry, with the simulation experiments confirming its efficacy.

This study presents extended Immunity Agent-Based Model (IABM) simulations to evaluate vaccination strategies in controlling the spread of infectious diseases. The application of IABM in the analysis of vaccination configurations is innovative, as a vaccinated individual can be infected depending on how their immune system acts against the invading pathogen, without a pre-established infection rate. Analysis at the microscopic level demonstrates the impact of vaccination on individual immune responses and infection outcomes, providing a more realistic representation of how the humoral response caused by vaccination affects the individual’s immune defense. At the macroscopic level, the effects of different population-wide vaccination strategies are explored, including random vaccination, targeted vaccination of specific demographic groups, and spatially focused vaccination. The results indicate that increased vaccination rates are correlated with decreased infection and mortality rates, highlighting the importance of achieving herd immunity. Furthermore, strategies focused on vulnerable populations or densely populated regions prove to be more effective in reducing disease transmission compared to randomly distributed vaccination. The results presented in this work show that vaccination strategies focused on highly crowded regions are more efficient in controlling epidemics and outbreaks. Results suggest that applying vaccination only in the densest region resulted in the suppression of infection in that region, with less intense viral spread in areas with lower population densities. Strategies focused on specific regions, in addition to being more efficient in reducing the number of infected and dead people, reduce costs related to transportation, storage, and distribution of doses compared to the random vaccination strategy. Considering that, despite scientific efforts to consolidate the use of mass vaccination, the accessibility, affordability, and acceptability of vaccines are problems that persist, investing in the study of strategies that mitigate such issues is crucial in the development and application of government policies that make immunization systems more efficient and robust.

In this work, a novel approach is presented for the multivariate prediction of hydrological variables, employing a specialized type of recurrent neural network (RNN) known as the long-term memory network (LSTM).The central objective is to develop a flood prediction model using data collected from two hydrological stations situated along the Atrato River in the Choc´o Department, Colombia. The interconnected variables of water level, water flow, and water precipitation are analyzed in this model to enhance flood prediction accuracy. The LSTM model, integrated into an RNN structure, is designed to capture the complex dynamics and cross-correlations inherent in these hydrological variables. Validation involves a comparison with linear and nonlinear Nonlinear AutoRegressive with eXogenous input (NARX) models, considering factors such as estimation error and computational time. Additionally, the study conducts further analysis for water level prediction under two scenarios: utilizing only outflow and inflow measurements or predicting outflow alongside measuring inflow, with the objective of utilizing the proposed approach as a flood early warning system. † This article is a revised and expanded version of a paper entitled Multivariable NARX based Neural Networks Models for Short-term Water Level Forecasting, which was presented at International Conference on Time Series and Forecasting (ITISE-2023), Gran Canaria, Spain, 12th-14th July, 2023.

Large-scale crowd phenomena are complex to model because the behaviour of pedestrians needs to be described at both strategic, tactical, and operational levels and is impacted by the density of the crowd. Microscopic models manage to mimic the dynamics at low densities, whereas mesoscopic models achieve better performances in dense situations. This paper proposes and evaluates a novel agent-based architecture to enable agents to dynamically change their operational model based on local density. The ability to combine microscopic and mesoscopic models for multi-scale simulation is studied through a use case of pedestrians at the Festival of Lights, Lyon, France. Pedestrian outflow data is extracted from video recordings of exiting crowds at the festival. The hybrid model is calibrated and validated using a genetic algorithm that optimizes the match between simulated and observed outflow data. Additionally, a local sensitivity analysis is then conducted to identify the most sensitive parameters in the model. Finally, the performance of the hybrid model is compared to different models in terms of density map and computation time. The results demonstrate that the hybrid model has the capacity to effectively simulate pedestrians across varied density scenarios while optimizing computational performance compared to other models.

In this research, we present the first steps taken towards a data-driven agent-based model (ABM) specifically designed for simulating infectious disease dynamics in Greece. Amidst the ongoing COVID-19 pandemic caused by SARS-CoV-2, this research holds significant importance as it can offer valuable insights into disease transmission patterns and assist in devising effective intervention strategies. To the best of our knowledge, no similar study has been conducted in Greece. We constructed a prototype ABM that utilizes publicly accessible data to accurately represent the complex interactions and dynamics of disease spread in the Greek population. By incorporating demographic information and behavioral patterns, our model captures the specific characteristics of Greece, enabling accurate and context-specific simulations. By using our proposed ABM, we aim to assist policymakers in making informed decisions regarding disease control and prevention. Through the use of simulations, policymakers have the opportunity to explore different scenarios and predict the possible results of various intervention measures. These may include strategies like testing approaches, contact tracing, vaccination campaigns, and social distancing measures. Through these simulations, policymakers can assess the effectiveness and feasibility of these interventions, leading to the development of well-informed strategies aimed at reducing the impact of infectious diseases on the Greek population. This study is an initial exploration toward understanding disease transmission patterns and a first step towards formulating effective intervention strategies for Greece.

Seismic velocity inversion is one of the most critical issues in the field of seismic exploration and has long been the focus of numerous experts and scholars. In recent years, the advancement of machine learning technologies has infused new vitality into the research of seismic velocity inversion and yielded a wealth of research outcomes. Typically, seismic velocity inversion based on machine learning lacks control over physical processes and interpretability. Starting from wave theory and the physical processes of seismic data acquisition, this paper proposes a method for seismic velocity model inversion based on Physical Embedding Recurrent Neural Networks. Firstly, the wave equation is a mathematical representation of the physical process of acoustic waves propagating through a medium, and the finite difference method is an effective approach to solving the wave equation. With this in mind, we introduce the architecture of recurrent neural networks to describe the finite difference solution of the wave equation, realizing the embedding of physical processes into machine learning. Secondly, in seismic data acquisition, the propagation of acoustic waves from multiple sources through the medium represents a high-dimensional causal time series (wavefield snapshots), where the influential variable is the velocity model, and the received signals are the observations of the wavefield. This forms a forward modeling process as the forward simulation of the wavefield equation, and the use of error back-propagation between observations and calculations as the velocity inversion process. Through time-lapse inversion and incorporating the causal information of wavefield propagation, the non-uniqueness issue in velocity inversion is mitigated. Through mathematical derivations and theoretical model analyses, the effectiveness and rationality of the method are demonstrated. In conjunction with simulation results for complex models, the method proposed in this paper can achieve velocity inversion in complex geological structures.

Today, satellite imagery has made a major contribution to the reconstruction and spatial prediction of sensitive or complex areas such as Pendjari and W Transboundary Reserves which constitute biodiversity reservoirs and habitats for wildlife conservation. Despite the protection to which they are subject, they remain dependent on climatic hazards that can influence their stability. This study has applied remote sensing techniques, combined with climate records from the last thirty years, to analyze the past dynamics of land use and climate changes, to predict the future states of the vegetation cover of the two national parks in Benin, as well as their periphery. The methodology used remote sensing and GIS techniques that allowed the supervised classification of Landsat images of 1985, 2000 and 2015. Climatic data were combined in R software to identify the break periods for climatic parameters. Finally, the predictive vegetation cover for the year 2030 was made by combining vegetation and climate in the "Land Change Modeler" extension. Ten land use and land cover classes were obtained. These are the agglomerations, mosaics of fields and fallows, water bodies, dense forests, gallery forests, clear forests and wooded savannahs, swamp forests and shrubby wooded savannahs, saxicolous savannahs and bare ground. The natural vegetation decreased from 90.85% in 1985 to 83.54% in 2000 then to 79.56% in 2015, a decline of 11.39% over a 30-year period. The analysis of the climatic curves revealed the presence of break, meaning drought frequency. The predictive modeling revealed that land use units projected to 2030 are consistent with past trends, but with the continued expansion of fields and fallows (2%) at the expense of vegetation cover. This study will motivate many others in the field.

This study assesses the impact of incorporating an adaptive learning mechanism into an agent-based model (ABMS) simulating behavior on a university campus during the course of a pandemic outbreak, with a particular case on the COVID-19 pandemic. The aim is to reduce overcrowding and infections on campus through the use of Reinforcement Learning (RL). Our findings indicate that RL is a viable approach for effectively representing agents’ behavior within this context. The results reveal specific temporal patterns of overcrowding violations. While our study successfully mitigated campus crowding, it had limited influence on altering the course of the epidemic. This highlights the necessity for comprehensive epidemic control strategies that consider the role of individual decision-making influenced by adaptive learning, along with the implementation of targeted interventions. This research significantly contributes to our understanding of adaptive learning within complex systems and offers valuable insights for shaping future public health policies in similar community settings. Future research directions encompass exploring various parameter settings and updating representations of the disease’s natural history.

The use of spherical radial basis functions (SRBFs) in regional gravity field modeling has become popular in recent years. However, to our knowledge, their potential for combining gravity data from multiple sources, particularly data with different spectrum information in the frequency domain, has not been extensively explored. Therefore, band-limited SRBFs, which have good lo-calization characteristics in the frequency domain, are the main tool in this study. We propose a residual and a-prior accuracy comparative analysis method to determine the optimal degree of expansion of SRBFs for gravity data. Using this methodology, we constructed a high-resolution geoid model called ColSRBF2023 in Colorado. The degrees of expansion for terrestrial and airborne data were set to 5200 and 1840, respectively. Results indicate that ColSRBF2023 has a standard deviation (STD) value of 2.3 cm compared to the GSVS17 validate data. This value is 2-6 mm lower than models obtained using different degrees of expansion for gravity data and models from other institutions considered in this study. Additionally, at the 1'×1' grid in the entire target area, ColSRBF2023 has an STD value of 2.4 cm when compared to the validation model. This value is also the best among the options examined in this study. These findings highlight the importance of determining the optimal expansion degree of gravity data, particularly when constructing high-resolution gravity field models in rugged mountainous regions.

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.

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.

Human pluripotent stem cells (hPSCs) have become a powerful tool to generate various kinds of cell types comprising the human body. Recently, organoid technology emerged as a platform to build a physiologically relevant tissue-like structure from the PSCs, which provides a more relevant three-dimensional microenvironment to the actual human body than the conventional monolayer culture system for transplantation, disease modeling, and drug development. Although it holds so many advantages, the organoid culture system still has various problems related to culture methods, which became a challenge to get similar physiological properties to their original tissue counterparts. Here, we discuss the current development of organoid culture methods, including the problem that may arise from the currently available culture systems as well as the possible approach to overcoming the current limitation and improving their optimum utilization for translational application purposes.

Classification predictive modeling involves the accurate assignment of observations in a dataset to target classes or categories. There is an increasing growth of real-world classification problems with severely imbalanced class distributions. In this case, minority classes have much fewer observations to learn from than those from majority classes. Despite this sparsity, a minority class is often considered the more interesting class yet developing a scientific learning algorithm suitable for the observations presents countless challenges. In this article, we suggest a novel multi-class classification algorithm specialized to handle severely imbalanced classes based on the method we refer to as SAMME.C2. It blends the flexible mechanics of the boosting techniques from SAMME algorithm, a multi-class classifier, and Ada.C2 algorithm, a cost-sensitive binary classifier designed to address highly class imbalances. Not only do we provide the resulting algorithm but we also establish scientific and statistical formulation of our proposed SAMME.C2 algorithm. Through numerical experiments examining various degrees of classifier difficulty, we demonstrate consistent superior performance of our proposed model.

Existing Reynolds Averaged Navier-Stokes based transition models do not accurately predict separation induced transition for low pressure turbines. Therefore, in this study, a novel framework based on computational fluids dynamics driven machine learning coupled with multi-expression and multi-objective optimization is explored to develop models which can improve the transition prediction for the T106A low pressure turbine at an isentropic exit Reynolds number of Re2is=100,000. Model formulations are proposed for the transfer and laminar eddy viscosity terms of the laminar kinetic energy transition model using seven non-dimensional pi groups. The multi-objective optimization approach makes use of cost functions based on the suction-side wall-shear stress and the pressure coefficient. A family of solutions is thus developed, whose performance is assessed using Pareto analysis and in terms of physical characteristics of separated-flow transition. Two models are found which bring the wall-shear stress profile in the separated region at least two times closer to the reference high-fidelity data than the baseline transition model. As these models are able to accurately predict the flow coming off the blade trailing edge, they are also able to significantly enhance the wake-mixing prediction over the baseline model.

Aiming for the problems emerging in the PWM drive system with long cables, accurate modeling of power cables is the premise to predict and analyze the relevant phenomenon, and a proper filter design is the key solution to these problems. This paper proposes high-frequency cable models to represent the frequency-dependent characteristics, especially for the high-frequency resistance of the cable that is an easily overlooked factor but determines the damping of overvoltage. The proposed models can be used for accurately representing the cable parameters in a wide frequency range, and correctly simulating the differential mode (DM) overvoltage and common mode (CM) current, including the peak value, oscillation frequency and damping of the transient waveform. In addition, improved filter networks are proposed to suppress the DM voltage and CM current, with the merit of low losses, small volume and an excellent ability of suppressing overvoltage. The proposed cable models and the filter design have been validated in a 750W PWM drive system with 200m power cables.

Net CO2 emissions and sequestration from European forests are the result of removal and growth of flora. To arrive at aggregated measurements of these processes at a country's level, local observations of increments and harvest rates are up-scaled to national forest areas. Each country releases these statistics through their individual National Forest Inventory using their particular definitions and methodologies. In addition, five international processes deal with the harmonization and comparability of such forest datasets in Europe, namely the IPCC, SOEF, FAOSTAT, HPFFRE, FRA (definitions follow in the article). In this study, we retrieved living biomass dynamics from each of these sources for 27 European Union member states. To demonstrate the reproducibility of our method, we release an open source python package that allows for automated data retrieval and analysis, as new data becomes available. The comparison of the published values shows discrepancies in the magnitude of forest biomass changes for several countries. In some cases, the direction of these changes also differ between sources. The scarcity of the data provided, along with the low spatial resolution, forbids the creation or calibration of a pan-European forest dynamics model, which could ultimately be used to simulate future scenarios and support policy decisions. To attain these goals, an improvement in forest data availability and harmonization is needed.

Hasselmann and coauthors proposed the discrete interaction approximation (DIA) as the best tool replacing the nonlinear evolution term in a numerical wind-wave model. Much later, Polnikov and Farina radically improved the original DIA by means of location all the interacting four wave vectors, used in the DIA configuration, exactly at the nodes of the numerical frequency-angular grid. This provides nearly two-times enhancing the speed of numerical calculation for the nonlinear evolution term in a wind-wave model. For this reason, the proposed version of the DIA was called as the fast DIA (FDIA). In this paper we demonstrate all details of the FDIA concept for several frequency-angular numerical grids of high resolution, with the aim of active implementation the FDIA in modern versions of world-wide used wind-wave models.

A mathematical model is proposed for quantitative description of the outbreak of novel coronavirus COVID-19 Although the model is relatively simple, the comparison with the public data shows that an exact solution solution of the model (with the correctly-specified parameters) leads to the results, which are in good agreement with the measured data in China and Austria. Prediction of the total number of the COVID-19 cases is discussed and examples are presented using the measured data in Austria, France and Poland.

Recent advancements in cloud-computing and social-networking are influencing how we communicate professionally, work collaboratively, and approach data-science tasks. Here we show how the groundwater modeling field is well positioned to benefit from these advancements. We present a case study detailing a vertically-integrated, collaborative modeling framework jointly developed by participants at the American Samoa Power Authority and at the University of Hawaii Water Resources Research Center. The framework components include direct collection and analysis of climatic and streamflow data, development of a water budget model, and initiation of a dynamic groundwater modeling process. The framework is entirely open-source and applies newly available data-science infrastructure using Python-based tools compiled with Jupyter Notebooks and cloud computing services such as GitHub. These resources allow for seamless integration of multiple computational components into a dynamic cloud-based workflow that is immediately accessible to stakeholders, resource managers, or anyone with an internet connection

The building sector accounts for nearly 40% of total primary energy consumption in the U.S. and E.U. and 20% of worldwide delivered energy consumption. Climate projections predict an increase of average annual temperatures between 1.1-5.4°C by 2100. As urbanization is expected to continue increasing at a rapid pace, the energy consumption of buildings is likely to play a pivotal role in the overall energy budget. In this study we used EnergyPlus building energy models to estimate the future energy demands of commercial buildings in Salt Lake County, Utah, USA, using locally-derived climate projections. We found significant variability in the energy demand profiles when simulating the study buildings under different climate scenarios, based on the energy standard the building was designed to meet, with reductions ranging from 10% to 60% in natural gas consumption for heating and increases ranging from 10% to 30% in electricity consumption for cooling. A case study, using projected 2040 building stock, showed a weighted average decrease in heating energy of 25% and an increase of 15% in cooling energy. We also found that building standards between ASHRAE 90.1-2004 and 90.1-2016 play a comparatively smaller role than variation in climate scenarios on the energy demand variability within building types. Our findings underscore the large range of potential future building energy consumption which depend on climatic conditions, as well as building types and standards.

The energy efficiency of grinding depends on the appropriate selection of cutting conditions, grinding wheel and workpiece material. Additionally, the estimation of specific energy consumption is a good indicator to control the energy consumed during the grinding process. Consequently, this study develops a model of material removal rate to estimate the specific energy consumption based on the measurement of active power consumed in a plane surface grinding of C45K with different thermal treatments and AISI 304. This model identifies and evaluates the power dissipated by sliding, ploughing and chip formation in a industrial-scale grinding process. Furthermore, the instantaneous positions of the abrasive grains during cutting are described to study the material removal rate. The estimation of specific chip formation energy is similar to that described by other authors in laboratory scale, which allows to validate the model and experiments. Finally, the results show that the energy consumed by sliding is the main phenomenon of energy dissipation in industrial-scale grinding process, where it is denoted that sliding energy by volume unity decreases as the depth of cut and speed of workpiece increase.

This is the second of a two-paper series describing a multi-scale modeling approach developed to simulate crack sensing in polymer fibrous composites by exploiting interruption of electrically conductive carbon nanotube (CNT) networks. The approach is based on the finite element (FE) method. FE models at three different scales, namely the micro-scale, the meso-scale and the macro-scale, have been developed using the ANSYS PDL environment. In the present paper, the meso- and macro-scale analyses are described. In the meso-scale, a two-dimensional model of the CNT/polymer matrix reinforced by carbon fibers is used to develop a crack sensing methodology from a parametric study which relates the crack position and length with the reduction of current flow. In the meso-model, the effective electrical conductivity of the CNT/polymer computed from the micro-scale is used as input. In the macro-scale, the final implementation of the crack sensing methodology is performed on a CNT/polymer/carbon fiber composite volume using as input the electrical response of the cracked CNT/polymer derived at the micro-scale and the crack sensing methodology. Analyses have been performed for cracks of two different lengths. In both cases, the numerical model predicts with good accuracy both the length and position of the crack. These results highlight the prospect of conductive CNT networks to be used as a localized structural health monitoring technique.

The purpose of interdisciplinary communication during the early architectural design stage is to achieve the early integration of knowledge in different professional fields, which can help architects to choose correct design development strategies during the early architectural design stage. However, because there is too little information at the early design stage, and design solutions are still rapidly changing and developing, the uncertainties at this stage make it difficult for consultants in other disciplines to provide their views and analysis. In spite of this situation, the emergence of generative modeling is changing design procedures and methods of communication and cooperation for architectural teams, and has brought about a shift in the way architects transmit design information from "what" (declarative information) to "how" (procedural information). Generative modeling is like an aircraft's dashboard: It can provide a basis for interdisciplinary communication, provide interdisciplinary knowledge packages, and bring about a shift in interdisciplinary communication that will reduce the architectural team's communication needs and cost. This study uses a real design case to show the feasibility of generative modeling. Employing generative modeling as a basis, architects can enhance the efficiency of design change and multi-disciplinary communication during the early design stage, integrate specialized knowledge in relevant fields, use this knowledge to formulate design criteria for the next stage, and effectively transmit design decisions. As a consequence, the changes to the cost structure of design revisions and communication between different disciplines has initiated a paradigm shift toward multi-disciplinary communication in architectural design.

In the contemporary construction management, poor project performance, cost overrun, and low-quality construction have become a central point of attention for improving project performance including information, interaction and communication management. virtual design and construction and building information modelling play indispensable role in improving the project performance. The aim of this study is to propose a Virtual Information Modeling as a novel information and communication technology method with potential to overcome problems in the construction industry. Using one-sample t test with Kolmogorov-Smirnov approach, we analysed data collected from structured questionnaire survey involving project managers working at architecture, engineering and construction industries in Tehran, Iran. The results suggest that the most important benefits and challenges of using Virtual Information Modeling are related to the area of integration, and implementation of Virtual Information Modeling has the greatest impact on this area of project management knowledge. Thus, integration should be considered a top priority for construction companies implementing Virtual Information Modeling in their projects. Policymakers should understand that careful management of virtual information is essential for improving the performance of projects and enhancing the process efficiency.

In this study, a simple machine learning-based quantitative structure-activity relationship (QSAR) model was developed to predict the inhibitory potency (pIC50 values) of FLT3 tyrosine kinase inhibitors, pivotal in treating Acute Myeloid Leukemia (AML). Distinctively, our model leverages an extensive and diverse dataset, 14 times larger than those employed in prior studies within this field, enabling an unparalleled scope of compound analysis. This vast dataset, combined with further exploration of molecular descriptors, enabled predictions of extraordinary precision, covering a broader spectrum of FLT3 inhibitors than was previously possible. The Random Forest Regressor (RFR) algorithm, selected for its superior predictive performance, was trained with 1080 inputs and validated through comprehensive external and internal methods. It achieved an remarkable coefficient of determination (R^2) of 0.941 and a standard deviation of 0.235 on a test set of 270 compounds, highlighting the efficacy of model in predicting FLT3 inhibitory activity. Key molecular descriptors were identified, enhancing our understanding of structural requirements for inhibitor potency. Additionally, we developed a user-friendly computational tool that enables the rapid prediction of pIC50 values. Utilizing this tool, potential FLT3 inhibitors were identified through ligand-based virtual screening. This study represents a major advancement in FLT3 inhibitor discovery by utilizing a simple QSAR-machine learning model. It enables more efficient and precise identification of potential drug candidates at an early stage, promising a faster development of targeted therapies and streamlining the ligand-based drug design process.

Snow is a vital environmental parameter and dynamically responsive to climate change, particularly in mountainous regions. Snow cover can be monitored at variable spatial scales using Earth Observation (EO) data. Long-lasting remote sensing missions enable the generation of multi-decadal time series and thus the detection of long-term trends. However, there have been few attempts to use these to model future snow cover dynamics. In this study, we therefore explore the potential of such time series to forecast the Snow Line Elevation (SLE) in the European Alps. We generate monthly SLE time series from the entire Landsat archive (1985-2021) in 43 Alpine catchments. Positive long-term SLE change rates are detected, with the highest rates (5-8 m/y) in the Western and Central Alps. We utilize this SLE dataset to implement and evaluate seven uni-variate time series modeling and forecasting approaches. The best results were achieved by Random Forests, with a Nash-Sutcliffe efficiency (NSE) of 0.79 and a Mean Absolut Error (MAE) of 258 m, Telescope (0.76, 268 m), and seasonal ARIMA (0.75, 270 m). Since the model performance varies strongly with the input data, we developed a Combined forecast based on the best performing methods in each catchment. This approach was then used to forecast the SLE for the years 2022-2029. In the majority of the catchments the shift of the forecast median SLE level retained the sign of the long-term trend. In cases where a deviating SLE dynamic is forecast a discussion based on the unique properties of the catchment and past SLE dynamics is required. In the future, we expect major improvements in our SLE forecasting efforts by including external predictor variables in a multi-variate modeling approach.

As recent history has shown, changing climate not only threatens to increase the spread of known disease, but also the emergence of new and dangerous phenotypes. This occurred most recently with West Nile virus: a virus previously known for mild febrile illness rapidly emerged to become a major cause of mortality and long-term disability throughout the world. As we move forward, into increasingly uncertain times, public health research must begin to incorporate a broader understanding of the determinants of disease emergence – what, how, why, and when. The increasing mainstream availability of high-quality open data and high-powered analytical methods presents promising new opportunities. Up to now, quantitative models of disease outbreak risk have been largely based on just a few key drivers, namely climate and large-scale climatic effects. Such limited assessments, however, often overlook key interacting processes and downstream determinants more likely to drive local manifestation of disease. Such pivotal determinants may include local host abundance, human behavioral variability, and population susceptibility dynamics. The results of such analyses can therefore be misleading in cases where necessary downstream requirements are not fulfilled. It is therefore important to develop models that include climate and higher-level climatic effects alongside the downstream non-climatic factors that ultimately determine individual disease manifestation. Today, few models attempt to comprehensively address such dynamics: up until very recently, the technology simply hasn’t been available. Herein, we present an updated overview of current perspectives on the varying drivers and levels of interactions that drive disease spread. We review the predominant analytical paradigms, discuss their strengths and weaknesses, and highlight promising new analytical solutions. Our focus is on the prediction of arboviruses, particularly West Nile virus, as these diseases represent the pinnacle of epidemiological complexity – solution to which would serve as an effective “gatekeeper”. We present the current state-of-the-art with respect to known drivers of arbovirus outbreak risk and severity, differentially highlighting the impact of climate and non-climatic drivers. The reality of multiple classes of drivers interacting at different geospatial and temporal scales requires advanced new methodologies. We therefore close out by presenting and discussing some promising new applications of AI. Given the reality of accelerating disease risks due to climate change, public health and other related fields must begin the process of updating their research programs to incorporate these much needed, new capabilities.

Synesthesia is a psychological phenomenon where sensory signals become mixed. Input to one sensory modality produces an experience in a second, unstimulated modality. In “grapheme-color synesthesia”, viewed letters and numbers evoke mental imagery of colors. The study of this condition has implications for increasing our understanding of brain architecture and function, language, memory and semantics, and the nature of consciousness. In this work, we propose a novel application deep learning to model perception in grapheme-color synesthesia. Achromatic letter images, taken from database of handwritten characters, are used to induce synesthesia. Results show the model learns to accurately create a colored version of the inducing stimulus, according to a statistical distribution from experiments on a sample population of grapheme-color synesthetes. The spontaneous, creative mental imagery characteristic of the synesthetic perceptual experience is reproduced by the model. A model of synesthesia that generates testable predictions on brain activity and behavior is needed to complement large scale data collection efforts in neuroscience, especially when articulating simple descriptions of cause (stimulus) and effect (behavior). The research and modeling approach reported here begins to address this need.

Persistent Pain after Spinal Surgery can be successfully addressed by Spinal Cord Stimulation (SCS). International guidelines strongly recommend that a lead trial be performed before any permanent implantation. Recent clinical data highlight some major limitations of this approach. First, it appears that patient outcomes, WITH OR WITHOUT lead trial, are similar. In contrast, during trialing, infection rate drops drastically within time and can compromise the therapy. Using composite pain assessment experience and previous research, we hypothesized that ma-chine learning models could be robust screening tools and reliable predictors of long-term SCS efficacy. We developed several algorithms including logistic regression, Regularized Logistic Regression (RLR), naive Bayes classifier, artificial neural networks, random forest and gradient boosted trees to test this hypothesis and to perform internal and external validations, the objec-tive being to confront model predictions with lead trial results using a 1-year composite out-come from 103 patients. While almost all models have demonstrated superiority on lead trial-ing, the RLR model appears to represent the best compromise between complexity and inter-pretability in prediction of SCS efficacy. These results underscore the need to use AI based-predictive medicine, as a synergistic mathematical approach, aimed at helping implanters to optimize their clinical choices on daily practice.

The presence of the mite, Varroa destructor, requires the use of acaricide treatments in most honeybee colonies. Amitraz is one of the most common acaricide substances used by beekeepers. Some Varroa mite populations have developed resistance to amitraz leading to a loss of efficacy of amitraz-based treatments. Two products, Apivar and Supatraz were applied in the same apiary. Both treatments are amitraz-based but have a different galenics. Thanks to field data, a dynamic model was used to simulate the action of Apivar and Supatraz on the mite population. We consider two parameters to compare the products: daily mortality rate and treatment duration. In the field, the percentage of efficacy between the two products was not significantly different but Supatraz kills mite faster and decreases 90% of the mite infestation in 28.4 days compared to 50.9 days for Apivar. Thanks to modelling, we showed the daily impact of the two different products on mite population. Supatraz has a higher daily mortality rate during the first two weeks than Apivar. Supatraz requires a lower efficacy to stabilize the varroa mite population due to its faster release of active ingredient than Apivar, needing a shorter period to achieve the same result. Depending on the model, Supatraz conserve a good efficacy for low resistant mites but not for high resistant mites. These results show that the comparison of the efficacy of two products with different characteristics (duration of treatment and daily mortality rate) should be analyzed with caution.

The development of synthetic biology has enabled us to make massive progress on biotechnology and to approach research questions from a brand new perspective. In particular, the design and study of gene regulatory networks in vitro, in vivo and in silico, have played an increasingly indispensable role in understanding and controlling biological phenomena. Among them, it is of great interest to understand how associative learning is formed at the molecular circuit level. Noticeably, mathematical models have been increasingly used to predict the behaviors of molecular circuits. The Fernando’s model, which is thought to be one of the first works in this line of research using the Hill equation, attempted to design a synthetic circuit that mimics Hebbian learning in the neural network architecture. In this article, we carry out in-depth computational analysis of the model and demonstrate that the reinforcement effect can be achieved by choosing the proper parameter values. We also construct a novel circuit that can demonstrate forced dissociation, which was not observed in the Fernando’s model. Our work can be readily used as reference for synthetic biologists who consider implementing the circuits of this kind in biological systems.

The role of human resource management practices and organizational loyalty dealing with employee retention has been widely explored and examined in the existing literature. The majority of human resource management researchers have focused on the role of policies and practices in different sectors related to employee retention. However, less attention has been given to identifying the practices and procedures common across all industries and sectors. The present study attempts to determine and examine the most important constructs like HR practices and organizational loyalty of employee retention management and proposes a comprehensive structural equation model to measure the impact of these constructs on employee retention. After an extensive review of the literature, organizational loyalty, and human resources management practices like recruitment and selection, compensation and benefit, training and development, supervision and evaluation have been identified as four essential practices dealing with employee retention and are common across all industries. These practices constitute the component factors of an employee retention management predicting employee’s turnover intentions. The survey method was adopted, and the original data obtained through the self-administered questionnaire. The valid one hundred and eighty-nine (189) respondents analyzed by using Lisrel 8.7, Structural equation model (SEM) analysis results shows that human resource management practices and organizational loyalty have strong positive impact on employee retention. This study tends to assist human resource managers and decision makers in selecting the appropriate motivating factors to retain and satisfy their employees

When in operation, the 25 kV traction networks may encounter the contact wire short circuits to rails or ground. The short-circuit conditions cause high-intensity magnetic fields (EMFs), which, despite the short duration of exposure, can negatively affect electronic devices and lead to significant induced voltage on adjacent power lines. There can be two main types of emergency conditions in 25 kV traction networks: the contact wire short circuit to the rail, when the supports are grounded to the rail track; and the contact wire short circuit to the ground in sections with supports disconnected from the rails. A three-dimensional electromagnetic field near a metal support when a short-circuit current flows through it is characterized by a complex spatial structure, which significantly complicates the calculations of intensities. The paper discusses the results of computer modeling aimed at determining the EMF intensity in the described emergencies. The objects involved in modeling were represented by segments of thin wires to calculate the electric charge distribution and find out the EMF intensity. This approach is implemented in the Fazonord software. The modeling results have shown that EMF intensities near the support grow significantly; their levels decrease noticeably as one moves away from the support; and that the three-dimensional electromagnetic field under the considered emergency conditions has a complex spatial structure.

The construction industry, characterized by high energy use and carbon emissions, necessitates a thorough and accurate life cycle assessment (LCA). This review investigates how building information modeling (BIM) software can streamline the LCA process to improve both efficiency and precision. Although BIM has considerable potential, challenges remain, such as issues with software interoperability and a lack of standardized options for BIM-integrated LCA tools. The review also evaluates the strengths and weaknesses of various BIM software, LCA tools, and energy consumption tools, and highlights case studies of BIM-LCA integration. It provides a critical analysis of methods and techniques for BIM-LCA integration and data exchange, including the import of bills of quantities, Industry Foundation Classes (IFC), the use of BIM viewers, direct LCA calculations with BIM plugins, and calculations using LCA plugins. The study concludes with future outlooks, aiming to direct the development of improved LCA tools that offer better integration with BIM software, which is crucial for advancing sustainable construction practices.

This paper presents a new method of process parameters optimization, adequate for 3D printing of PLA (Polylactic Acid) components. The authors developed a new Hybrid Manufacturing Equipment (HME), suitable for producing complex parts made from a biodegradable thermoplastic polymer, for environmental sustainability. Our new HME equipment is producing PLA parts by both additive and subtractive techniques, with the aim of obtaining accurate PLA components with a good surface quality. A design of experiments has been applied for optimization purposes. The following manufacturing parameters were analyzed: rotation of the spindle, cutting depth, feed rate, layer thickness, nozzle speed, and surface roughness. Linear regression models and neural network models were developed to improve and predict the surface roughness of the manufactured parts. A new test part was designed and manufactured from PLA, to validate the new mathematical models, which can now be applied for producing complex parts made from polymer materials.

The potential impacts of climate change on the distribution of tuna in Pacific Island Countries’ Exclusive Economic Zones have yet to be investigated rigorously, and so their persistence and abundance in these areas remain uncertain. Here, we estimate optimal fisheries areas for four tuna species; Albacore (Thunnus alalunga), Bigeye (Thunnus obesus), Skipjack (Katsuwonus pelamis), and Yellowfin (Thunnus albacares). We consider different climate change scenarios, RCP 2.6, RCP 4.5, RCP 6.0 and RCP 8.5, within a set of tuna catch records in the Exclusive Economic Zone of Tonga. Using environmental and CPUE datasets, species distribution modelling estimated and predicted these fisheries areas in the current and future climatic scenarios. Our projections indicate an expansion in area and a shift of productive areas to the southern part of this Exclusive Economic Zone of Tonga. This is an indication that future climatic scenarios might be suitable for the species under study however, changes in trophic layers, ocean currents and ocean chemistry might alter this finding. Information provided here will be relevant in planning future national actions towards proper management of these species.

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

As a result of rapid population growth, an exponentially growing human population, and industrial expansion, it has become increasingly difficult to manage municipal solid wastes throughout the world. Decentralized waste management systems have created difficult situations in developing countries such as Malaysia. Wastes generated in the country, due to various cultural, social, and religious activities, organic and contributing to environmental pollution (air, water, and soil) and human health troubles. A questionnaire survey was participated by 220 construction professionals in Malaysia using structured and semi-structured methods. The framework was assessed using A partial least square structural equation modeling (PLS-SEM) to target sustainable development goals (SDG). Statistical analysis results indicate a significant effect between SCW management, since(r(270)=.687, P&lt;0.001). Improving factors has strong relationship with SCW management, since(r(270)=.723, P&lt;0.001). The mediation results also suggested a significant indirect positive effect of improving factors drivers on SCW management through policy-related factors sinceβ=0.688, t=8.254, P&lt;0.001, 95% CI for β=0.536,0.866. Finally, policy-related factors construct has a strong relationship with SCWM) management, since(r(270)=.811, P&lt;0.001) With the R Square of 0.787 and 0.785. The developed framework can improve construction waste management in the construction industry and enhance construction waste management to achieve global sustainable development goals. The findings show that one of the most critical issues of enhancing profitability is using preventive policies to reduce construction waste. This study could guide construction industry stakeholders in identifying the different waste management features during a building project's construction and design stage

We use a system biology approach to translate the interaction of Bacillus Calmette-Gurin (BCG) + interleukin 2 (IL-2) for the treatment of bladder cancer into a mathematical model. The model is presented as a system of differential equations with the following variables: number of tumor cells, bacterial cells, immune cells, and cytokines involved in the tumor-immune response. This work investigates the delay effect induced by the proliferation of tumor antigen-specific effector cells after the immune system destroys BCG-infected urothelium cells following BCG and IL-2 immunotherapy in the treatment of bladder cancer. For the proposed model, three equilibrium states are found analytically. The stability of all equilibria is analyzed using the method of Lyapunov functionals construction and the method of linear matrix inequalities (LMIs).

Many causal factors to marine traffic accidents (MTA) influence each other and have associated effects. It is necessary to quantify the correlation path mode of these factors to improve accident prevention measures and their effects. In the application of human factors to the accident mechanisms, the complex structural chains on causes to MTA systems were analyzed combining the Human Failure Analysis and Classification System (HFACS) with theoretical Structural Equation Modeling (SEM). First, the accident causation model was established as a human error analysis classification in sight of MTA, and the constituent elements of the causes of accident was conducted. Second, a hypothetical model of Human factors classification was proposed applying the practice of the structural model. Third, with the data resource from ship accident cases, this hypothetical model was discussed and simulated, and as a result the relationship path dependency mode between the latent independent variable of the accident was quantitatively analyzed based on the observed dependent variable of human behaviors. Application examples show that relationships in HFACS are verified and in line with the path developing mode, and resource management factors have a pronounced influence and a strong relevance to the causal chain of the accidents. Appropriate algorithms for the theoretical model can be used to numerically understand the safety performance of marine traffic systems under different parameters through mathematical analysis. Hierarchical assumptions in the HFACS model are quantitatively verified.

The present work is a numerical simulation of velocity and mixture fraction fields in a turbulent non-reaction Propane jet flow issuing into parallel co-flowing air, in isothermal condition which has been experimentally described here: http://www.sandia.gov/TNF/DataArch/ProJet.html. The objective is a better understanding of the flow structure and mixing process, a situation in which there is no chemical interaction and heat-transfer. The two-equation Realizable k-ε eddy viscosity turbulence model has been used to simulate the turbulent flow field on a 2D plane (i.e., on a 5-degree sector of the experimental domain), because Realizable k-ε more accurately predicts the spreading rate of both planar and round jets and presents the best proficiency in comparison with all versions of the k-ε models. Afterward, axial and radial profiles of mean velocities, turbulence energy, mean mixture fraction, the mixture fraction half radius (Lf), and the mass flux diagram have been numerically elicited for grid independent mesh (mesh B) and compared with corresponding experimental data to assess the numerical model. To obtain turbulence kinetic energy, k, due to lack of w' in the experimental data, the assumption of w'=v' seems to be valid. Simulations have demonstrated that mean mixture fraction (at radial profiles at locations x/D=0, 4, 15, 30 and 50) and its half radius, Lf, which characterizes jet width expanse, are prominently well-captured; Moreover, mean vertical velocity fields (in X-direction: Umean) have revealed less accuracy but still conspicuously well-captured. However, mean vertical velocity fields (in Y-direction: Vmean) have disclosed less resolution; Likewise, turbulence kinetic energy, k, have manifested moderate accuracy (between Umean and Vmean). It should be noticed that although numerical results for absolute pressure, p, have been obtained on aforementioned sections, there were no experimental data to compare with them. Thus, the corresponding numerical data has not been demonstrated in this study.

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

Saltwater intrusion in the rapidly developing city of Da Nang in central Vietnam is currently causing various water-related challenges, including inadequate water supply and water pollution. An integrated SWAT-MODFLOW numerical model was used to investigate the origin and mechanism of saltwater in Holocene and Pleistocene aquifers. Geophysical and isotopic approaches were used to validate the SEAWAT model applied for simulating saltwater intrusion. The results suggest that the ebb and flow of tides, as well as water levels in rivers primarily impact coastal aquifers. However, effective water resource planning and management, along with maintaining the natural recharge of fresh water from local rain during the rainy season, could enable the rational and efficient utilization of groundwater, reducing saltwater intrusion in many areas. During the dry season, groundwater is recharged from higher altitude areas. The current saltwater intrusion mainly occurs along the rivers up to the hydraulic dam. Simulated models, using scenarios of stop abstracting groundwater, but changing to the use of surface water for drinking water, show that the area of saline water shrinks quickly after 30 years, reducing from 59.6 km2 to 39.5 km2 and from 40.2 km2 to 28.6 km2 in Holocene and Pleistocene, respectively.

Ultrasonic measurements are used in civil engineering for structural health monitoring of concrete infrastructures. The late portion of the ultrasonic wavefield, the coda, is sensitive to small changes in the elastic moduli of the material. Coda Wave Interferometry (CWI) correlates these small changes in the coda with the wavefield recorded in intact, or unperturbed, concrete specimen to reveal the amount of velocity change that occurred. CWI has the potential to detect localised damages and global velocity reductions alike. In this study, the sensitivity of CWI to different types of concrete mesostructures and their damage levels is investigated numerically. Realistic numerical concrete models of concrete specimen are generated and damage evolution is simulated using the discrete element method. In the virtual concrete lab, the simulated ultrasonic wavefield is propagated from one transducer using a realistic source signal and recorded at a second transducer. Different damage scenarios reveal a different slope in the decorrelation of waveforms with the observed reduction in velocities in the material. Finally, the impact and possible generalizations of the findings are discussed and recommendations are given for a potential application of CWI in concrete at structural scale.

Bioprocesses for the production of renewable energies and materials lack efficient separation processes for the utilized microorganisms such as algae and yeasts. Dissolved air flotation (DAF) and microflotation are promising approaches to overcome this problem. The efficiency of these processes depends on the ability of microorganisms to aggregate with microbubbles in the flotation tank. In this study, different new or adapted aggregation models for microbubbles and microorganisms are compared and investigated for their range of suitability to predict the separation efficiency of microorganisms from fermentation broths. The complexity of the heteroaggregation models range from an algebraic model to a 2D population balance model (PBM) including the formation of clusters containing several bubbles and microorganisms. The effect of bubble and cell size distributions on the flotation efficiency is considered by applying PBMs, as well. To determine the impact of the model assumptions, the modeling approaches are compared and classified for their range of applicability. Evaluating computational fluid dynamics (CFD) of a DAF system shows the heterogeneity of the fluid dynamics in the flotation tank. Since analysis of the streamlines of the tank show negligible backmixing, the proposed aggregation models are coupled to the CFD data by applying a Lagrangian approach.