Advanced manufacturing techniques, aimed at implants with high dependability, flexibility, and low manufacturing costs, are crucial in meeting the growing demand for high-quality products like biomedical implants. Incremental sheet forming is a promising flexible manufacturing approach for rapidly prototyping sheet metal components using low-cost tools. Titanium and its alloys are used to shape most biomedical implants because of its superior mechanical qualities, biocompatibility, low weight, and great structural strength. The poor formability of titanium sheets at room temperature, however, limits their widespread use. The goal of this research is to show that gradual sheet formation of a titanium biomedical implant is possible. The possibility of creative and cost-effective concepts for the manufacturing of such complicated shapes with significant wall angles is explored in this study. A numerical simulation based on finite element modeling as well as a design process tailored to metal forming is used to complete the development. The mean of uniaxial tensile tests with a constant strain rate was used to study the flow behavior of the studied material. To forecast the crack, the obtained flow behavior was modeled using the behavior model and failure model.

Reaching the land-related UN-Sustainable Development Goals (SDGs) and similar goals articulated by the EU-Green Deal (GD) by 2030 presents a major challenge and requires a pragmatic approach to be focused on joint learning by land users (mostly farmers), researchers and other stakeholders in “Living Labs” and system experiments at experimental farms of research organizations. Defining specific indicators and thresholds for ecosystem services in line with land-related SDGs, are crucial to establish: “Lighthouses” that can act as inspiring examples if they meet the various thresholds. This exploratory paper discusses indicators and thresholds for an arable farm operating on marine, calcareous light clay soils in the Netherlands. Studies of a system experiment are used to discuss and test operational methodology to be widely applied when characterizing many “Living Labs” in future as planned by the European Union. The important role of soils, contributing to ecosystem services, is discussed in terms of soil health. Recommendations are made for innovative methodology to be associated with all land-related SDGs. Satisfying thresholds of ecosystem services, that will vary by soil type, region and farm-type, can be the basis for farm subsidies such as the Common Agricultural Policy (CAP). Research on Living Labs and in system experiments has to be judged by different criteria than those associated with traditional linear research. Important contributions by soils to achieve ecosystem services are framed in terms of soil health and are the most effective way to promote soil science in a by now widely desired inter- and transdisciplinary context.

Volcanic fumaroles are openings in the earth's surface, where volcanic gases discharge to the atmosphere. Metallic and non-metallic elements contained in gases form specific mineral precipitates upon cooling. Although the presence of metals in fumarolic gases has long been known, their concentrations are generally low and difficult to measure directly. A laboratory model of a fumarole may resolve the situation if the complex gas composition could be accurately reproduced. Here we describe a new experimental approach that allows accurately simulating fumarolic gases in terms of their main components (H₂O, CO₂, S, HCl), as well as adding volatile metal compounds. Gas is generated inside a special flow-through reactor, at the outlet of which the elements contained in the gas form temperature-dependent mineral sequence inside the attached silica-glass tube. Using this installation, we obtained laboratory sublimates from reducing (H₂S-rich) gases similar to natural ones in terms of mineral composition and mineral habits. Twenty-one phases have been identified in sublimates, among which are simple and complex chlorides, simple sulfides and six sulfosalts. Comparison of the sublimate deposition from H₂O-rich gas at 1 bar with similar works performed in evacuated ampoules at low pressure showed that fumarolic gases behave like an ideal gas, in which molecules do not interact with each other, and reactive compounds in the gas serve in fact as an inert carrier of volatile metals species. Changing the composition of the gas at the outlet of the installation, its flow rate and temperature, we can observe the corresponding changes in mineral precipitates and in such a way study the factors affecting mineral formation on natural fumarolic fields.

The current study was planned to simulate runoff due to the snowmelt in the Lidder River catchment of Himalayan region under climate change scenarios. A basic degree-day model, Snowmelt-Runoff Model (SRM) was utilized to assess the hydrological consequences of change in climate. The SRM model performance during the calibration and validation was assessed using volume difference (Dv) and coefficient of determination (R2). The Dv was found as 11.7, -10.1, -11.8, 1.96, and 8.6 during 2009-2014, respectively, while the R2 is 0.96, 0.92, 0.95, 0.90, and 0.94, respectively. The Dv and R2 values indicating that the simulated snowmelt runoff has a close agreement with the observed value. The simulated findings were also assessed under the different scenarios of climate change: a) increases in precipitation by +20 %, b) temperature rise of +2 °C, and c) temperature rise of +2 °C with a 20 % increase in snow cover. In scenario "b", the simulated results showed that runoff increased by 53 % in summer (April–September). In contrast, the projected increased discharge for scenarios "a" and "c" was 37 % and 67 %, respectively. In high elevation data-scarce mountain environments, the SRM is efficient in forecasting future water supplies due to the snowmelt runoff.

Today, maritime transport is responsible for moving approximately 80 percent of the volume of world trade, which has favored Colombia, which, due to its geographical position, has managed to become one of the most competitive and dynamic economies in the world. South America. For this reason, this investigation is carried out in a port of their country, with the aim of identifying and analyzing restrictions or critical points that may cause delays in the unloading of goods, these would also cause delays in the loading of vehicles. To do this, it began with a diagnosis of the current situation through interviews with the operational personnel of the port, then a simulated model was designed in the ARENA software, in which it was observed that the weighing activities are where the queues were formed, this will cause a delay in the download. As possible solutions, it is recommended to senior management that a proper verification of the operation of the weighing equipment be carried out in order to unload goods more quickly. In addition, a replacement weighing equipment must be purchased. With this change, it would be possible to reduce inefficiencies or cost overruns caused by download delays, which are reducing the fluidity of the goods and the competitiveness of the organization

Particle layers employing conductive transition metal nitrides have been proposed as possible alternative plasmonic materials for photovoltaic applications due to their reduced losses compared to metal nanostructures. We critically compare the photocurrent gain due to an additional layer made of nanopillars of nitrides with other material classes obtained in an already highly optimized doped c-Si baseline solar cell with accurate doping profile from measurements. A relative photocurrent gain with respect to the baseline cell of on average 5% to 10% is observed, with a few cases achieving around 30% gain. While the local field enhancement is moderate resonances for nitrides spread over the whole UV-VIS range. For some nitrides, the shading effect remains a problem similar as for metals, but others behave more like dielectric scatterers with high photocurrent gain.

Unique analytical challenges arise when drivers, who face a route choice between a toll lane and a set of free lanes, have different values of time. The most complex situation is one in which multiple sub-populations of drivers exist, each with their own unique mean and coefficient of variation of value of time. This situation, when imbedded within a larger network cannot be tackled using existing planning models, and consequently is usually only approximated. This paper examines these different approximations, the resulting numerical solutions and the implications of these approximations on the estimate of the number of expected toll lane users. The paper also shows how this problem can be solved using a combined traffic assignment/simulation model. The first part of this paper develops an analytical formulation for solving the toll lane scenario using the “value of time” representations range from the simplest to the most complex. It is shown that one of the most critical issues is a determination of who the marginal users are of the toll lane, at each level of usage, as the perceived disutility of the last marginal toll lane user depends dynamically upon that driver’s value of time. Analytical formulations based on these different approximations are then solved numerically in the second part of the paper. These numerical solutions show that significant different lane use estimates result, depending upon the representation of value of time. Consequently, it is clear that solving this problem with the fewest approximations is both of theoretical and practical importance. The third part of the paper illustrates the solution to the toll lane problem, with each level of approximation, using a combined traffic assignment/simulation model. The simulated resulting estimates of the toll lane usage for each case matches both the relative and absolute trends found in analytical solutions. However, the solution using the assignment/simulation model is not only much faster and simpler to obtain, but is also scalable both in size and complexity. The additional complexities, that are associated with a less approximate representation of value of time, should therefore be incorporated in all future assessments of toll lane facilities, be they analyzed analytically or through simulation.

The work proposes a model of funds formation in current and fixed-term (ruble and currency) accounts and transfers of funds between them. The sources of money are loans issued by commercial banks, placement of government domestic debt, the positive balance of foreign trade. The financial parameters and characteristics of the system are estimated using the Kalman filter. The adequacy of the model is confirmed by simulation modeling. It was found that the rate of creation of rubles in current accounts increased from ≈ 8% per annum in 2015-16 ≈ to 12% in 2017-18 and to 29% in 2019-20. The leakage of foreign currency from accounts (in addition to the official outflow of capital) was ≈ 12, 50, 35 billion dollars per annum during the same periods.

The objective of this paper is to assess the potential for potable water savings due to rainwater use in a precast concrete factory in southern Brazil. The economic feasibility and the rainwater quality were also assessed. The current water consumption, future water demand and rainwater demand in the factory were estimated. The future demand considered was two times higher than the current water consumption since there are plans to increase the production. Three scenarios were then simulated using the computer programme Netuno. The ideal rainwater tank capacity, the potential for potable water savings and the economic feasibility analysis for each scenario were estimated. Samples of rainwater were collected in the factory and tested for quality for manufacturing precast concrete. For a rainwater tank capacity equal to 25,000 litres, the potential for potable water savings for the first scenario was 55.4%, but the first scenario was considered economically unfeasible. For the same tank capacity, the second and third scenarios presented viable results regarding potable water savings and payback. As for the rainwater quality, it was proven to be adequate for manufacturing precast concrete. The main conclusion is that rainwater can be used to manufacture precast concrete in the factory studied herein.

A micromechanical model is implemented to indicate the progressive fatigue problem of a laminated composite with a central circular hole under fatigue loading based on a finite element model. The mechanical properties of the composite lamina are represented based on the characteristics of the fiber and the matrix through a micromechanics model. An appropriate algorithm is then adopted to simulate fatigue damage development in the composite lamina. According to this algorithm, the stress field of the composite subjected to fatigue load is initially obtained using the finite element method. Finally, the predicted results of the stresses in the constituents i.e. fiber and matrix are determined according to the micromechanical bridging model. Finally applying proper damage driving relations leads to damage degree in each element. The proposed model is proven to be successful in the observation of the fatigue behavior with stiffness degradation in each element of the composite in each cycle. Results are reported and validated using those micromechanical models and experimental data available in the literature.

The residential sector in the United States is in need of comprehensive policy-making reforms that concurrently address housing affordability and environmental sustainability. This study investigates the feasibility of state-wide zero-energy affordable housing by analyzing historical data on climate, energy use, and solar system costs in the Commonwealth of Virginia. The hypothesis examined is that the net present cost of implementation of rooftop residential solar systems to achieve zero-energy Low-Income Housing Tax Credit (LIHTC) buildings is lower than the discounted present cost of energy of otherwise identical conventional buildings that run without renewable energy generation systems. The authors propose a generalizable framework for analyzing the feasibility of achieving region- or state-wide zero-energy LIHTC developments. To validate the framework, the authors employ a longitudinal sample of monthly energy use data from 2013-2016 obtained from 310 residential units of 15 LIHTC developments across the state. Based on statistical regression analysis, energy simulation, and simulation-based risk analysis, the authors find that the net present value of zero-energy LIHTC investments can be positive with a low risk. The investment value varies often depending on the zero-energy building definition, weather characteristics, retail price of electricity, and incentive rate. This study can help housing policymakers and industry professionals analyze and benchmark the feasibility of innovative zero-energy housing policies and projects.

Automotive aerodynamics comprises of the study of aerodynamics of road vehicles. Its main goals are reducing drag, minimizing noise emission, improving fuel economy, preventing undesired lift forces and minimizing other causes of aerodynamic instability at high speeds. The Ahmed body has the form of a highly simplified car, consisting of a blunt nose with rounded edges fixed onto a box-like middle section and a rear end that has an upper slanted surface, the angle of which can be varied. It retains vital features of real vehicles in order to study the flow fields around it and the related turbulence models which characterizes the actual flow at elevated Reynolds number. In the present study, the aerodynamic behavior of this body is investigated numerically by the aid of commercial CFD tool: Ansys Fluent. The results of the simulation are validated with available experimental data and results of the simulations from other literatures. The numerical data were obtained for a fixed free stream velocity of 25 m/s at the inlet. The simulations were performed at a fixed slant angle of 25 degree and zero yaw angle. The present study focuses on how local refinement of mesh inside the concerned body and the outside, helps affect the results and for which grid dependency test is the primary objective of this paper. The present study also helps demonstrate how the drag of the body behaves, which is mainly the effect of pressure drag force generated at the rear portion of the body. The study also focuses on important properties like the velocity magnitude at different locations for different meshing cases, and to capture the flow pattern in the front or near the wake region. The study can be further helpful to future researchers in determining resistance, fuel efficiency etc. helping designers to optimize in specialized areas for better efficiency.

Salmonella, especially invasive non-typhoidal Salmonella (iNTS) are responsible for developing various invasive diseases, and possess higher mortality rate, due to their higher antibiotic resistance profile than the other bacteria. Therefore, the present study was concerned to develop epitope based peptide vaccine against iNTS species as a successive and substitute protective measures. The study considered comprehensive Immunoinformatic approaches, followed by molecular docking and molecular dynamics simulation to predict the efficient vaccine candidate T cell and B cell epitopes, based on the outer membrane proteins. The study identified two best epitopes YGIFAITAL and KVLYGIFAI from total iNTS outer membrane proteins, which showed higher immunity, non-allergenicity, non-toxicity and also showed higher conservancy and population coverage values. Both epitopes showed higher binding affinity and stability towards HLA-C* 03:03. The MM-PBSA binding free energy showed the YGIFAITAL epitope binds more tightly with both MHC-I and MHC-II molecules. The total contact, H-bond analysis and RMSF results also validate the efficiency of these epitopes as vaccine candidate. The projected B cell epitopes AAPVQVGEAAGS, TGGGDGSNT and TGGGDGSNTGTTTT showed higher antigenicity. Overall, the study concluded that these epitopes can be considered as the potential vaccine candidate to make a successive vaccine against iNTS species. However, this result further needs to be validate by wet lab research to make successive vaccine with these projected epitopes.

Ubiquitin-specific protease 14 (USP14) is a member of the Deubiquitinating enzymes (DUBs) involved in disrupting the regulation of the ubiquitin-proteasome system, responsible for the degradation of impaired and misfolded proteins which is an essential mechanism in eukaryotic cells. The involvement of USP14 in cancer progression and neurodegenerative disorders has been reported. Thereof USP14 is a prime therapeutic target; hence, designing efficacious inhibitors of USP14 is central in curbing these conditions. Herein, we relied on structural bioinformatics methods incorporating molecular docking, Molecular Mechanics Generalized Born Surface Area (MM-GBSA), Molecular dynamics simulation (MD simulation) and ADME to identify potential allosteric USP14 inhibitors. A library of over 733 compounds from the PubChem repository with >90% match to the IU1 chemical structure was screened in a multi-step framework to attain prospective drug-like inhibitors. Two potential lead compounds (CID 43013232 and CID 112370349) were shown to record better binding affinity compared to IU1, but with subtle difference to IU1-47, a 10-fold potent compound when compared to IU1. The stability of the lead molecules complexed with USP14 was studied via MD simulations. The molecules were found to be stable within the binding site throughout the 50ns simulation time. Moreover, the protein-ligand interactions across the simulation run time suggest Phe331, Tyr476, and Gln197 as crucial residues for USP14 inhibition. Furthermore, in silico pharmacological evaluation revealed the lead compounds as pharmacological sound molecules. Overall, the methods deployed in this study revealed two novel candidates that may show selective inhibitory activity against USP14, which could be exploited to produce potent and harmless USP14 inhibitors.

The beautiful and stable posture is essential for ballet. Especially the pirouette which dancers balance themselves on their one leg is one of the most impressive postures. During the pirouette motion, loads from the rotation and the body weight are concentrated to the one leg. Proper ballet shoes can reduce the muscle burden and improve the stability. Four types of shoes; bare feet, running shoes, pointe shoes, and dance sneakers are analyzed. The motion capture system and SIMM are used for the analysis of muscle burden and stability during pirouette. The major 6 muscles in the leg (beceps femoris long head, beceps femoris short head, soleus, rectus femoris, gastrocnemius medialis, and gastrocnemius lateralis) are analyzed, and the effect of rotating velocity is considered. Dance sneakers are outstanding for improving the stability and lessening the muscle burdens in all conditions for beginners. That comes from the design feature of the divided shoe soles and protecting the ankle of the axis leg. With the results and analysis, the direction for design optimization of ballet shoes is suggested. Consequently, this research is about the verification of sports equipment using computer simulation with the musculoskeletal model from a scientific viewpoint of biomechanics.

Titanium’s accelerating usage in global markets is attributable to its distinctive combination of physical and metallurgical properties. The key to best utilizing titanium is to exploit these characteristics, especially as they complement one another in a given application, rather than to just directly substitute titanium for another metal. Titanium alloy are extensively used in aerospace applications such as components in aero-engines and space shuttles, mainly due to their superior strength to weight ratio. For these demanding applications functionality and reliability of components are of great importance. To increase flight safety, higher sensitivity inspections are sought for rotating parts. Increased sensitivity can be applied at the billet stage, the forging stage, or both. Inspection of the forging geometry affords the opportunity to apply the highest sensitivity due to the shorter material paths when compared to those required for billet inspections. Forging inspection is typically performed for titanium (Ti) rotating parts with immersion inspection and fixed-focus, single-element transducers. Increased gain is required with depth because the ultrasonic beam attenuates with distance and diverges beyond the focus position that is placed near the surface. The higher gain that is applied with depth has the effect of increasing the UT noise with depth. The relationships between the UT noise, selection of the examination technique and the smallest detectable defect are presented in this material.

To improve the effect of multi-point stretch forming of sheet metal, it is proposed in this paper to replace fixed ball head with swinging ball head. According to the multi-point dies with different arrangements, this research establishes the finite element models of the following stretch forming, i.e. fixed ball heads with conventional arrangement, swinging ball heads with conventional arrangement, swinging ball heads with declining staggered arrangement, and swinging ball heads with parallel staggered arrangement and then numerical simulation is performed. The simulation results show that by replacing fixed ball head with swinging ball head, the surface indentation of the formed part was effectively suppressed, the stress and tension strain distribution of the formed part was improved and the forming quality was improved; that the thickness of the elastic pad was reduced, the springback was reduced and the forming accuracy was improved; and that when the ball head was applied to multi-point die with staggered arrangement, better forming result was achieved, where the best forming result was achieved in combining the swinging ball heads with the multi-point die with parallel staggered arrangement. The forming experiments were carried out, and the experimental results were consistent with the trend of numerical simulation results, which verified the correctness of the numerical simulation.

The differential gear train and speed regulating motor constitute the variable ratio transmission for grid-connected wind turbine with differential speed regulation. The synchronous generator in the system can accessing the power grid without frequency converter. The transmission can realize the mode of variable speed constant frequency that the wind rotor speed is varying and the generator rotor speed is constant. The power control method is studied under the different wind speed which is lower or higher than rated wind speed with using the relational expression of utilization rate of wind energy Cp, pitch angle β and the tip speed ratio λ. The SIMULINK software is used to build the 1500 kW wind turbine model with differential speed regulation. Some different wind speed is made as input. The feasibility of power control method for grid-connected wind turbine with differential speed regulation is verified by the comparison between the simulation results and the theoretical value of the key parameters.

Nanoparticles -- regularly patterned or randomly dispersed -- are a key ingredient for emerging technologies in photonics. Of particular interest are scattering and field enhancement effects of metal nanoparticles for energy harvesting and converting systems. An often neglected aspect in the modeling of nanoparticles are light interaction effects beyond classical electrodynamics stemming from electron dynamics in confined and accelerated systems. We give a detailed account on free electron phenomena in metal nanoparticles and discuss analytic expressions, stemming from microscopic and semi-classical theories. These can improve standard computational schemes to produce more reliable results on the optical properties of metal nanoparticles. We combine these solutions into a single framework and study their joint impact on isolated Au, Ag, and Al nanoparticles as well as dimer structures.

The effect of configuration of an asymmetric bulky initiator 2,2’-[1,1’-binaphtyl-2,2’-diyl- bis-(nitrylomethilidyne)]diphenoxy aluminum isopropoxide (Ini) on structure of copolymer of asymmetric monomer L,L-lactide (Lac) with symmetric comonomer trimethylene carbonate (Tmc) was studied using polarimetry, dilatometry, SEC and ¹³C NMR. When the S-enantiomer of Ini was used the distribution in copolymer chains at the beginning of polymerization is statistical, with alternacy tendency, changing next through a gradient region to homoblocks of Tmc. When, however, R-Ini was used, the product formed was a gradient oligoblock one, with Tmc blocks prevailing at the beginning, changing to Lac blocks dominating at end part of chains. Initiation of copolymerization with the mixture of both initiator enantiomers (S:R = 6:94) gave multiblock copolymer, of similar features but shorter blocks. Analysis of copolymerization progress required complex analysis of dilatometric data, assuming different molar volume contraction coefficients for units located in different triads. Comonomer reactivity ratios of studied copolymerizations were determined.

Most of the structures in flowing water are a challenge to their stability and sustainable with different flow conditions. Recent, renewable energy research and development covers ocean and river energy platform in which flow of water drag considered in various conversion devices towards the offshore and onshore establishment. Various energy platforms have been suggested for offshore development. However, the stability of these platforms in water is a serious concern. To study the water interaction over circular and square cross-section cascade system under the water has been carried out. Water flow around the pillars or column of the energy platform are analyzed through simulation software. Very low velocity 0.5 m/s has been considered to analyze the system. Total fifteen numbers of cascade pillars having circular and square cross-section area were considered. K-ε turbulence model is adopted to calculate the flow interaction to the column. A velocity, pressure, and energy fields are found around the column.

Process simulation represents an important tool for plant design and optimisation, either applied to well established or to newly developed processes. Suitable thermodynamic packages should be selected in order to properly describe the behaviour of reactors and unit operations and to precisely define phase equilibria. Moreover, a detailed and representative kinetic scheme should be available to predict correctly the dependence of the process on its main variables. This review points out some models and methods for kinetic analysis specifically applied to the simulation of catalytic processes, as a basis for process design and optimisation. Attention is paid also to microkinetic modelling and to the methods based on first principles, to elucidate mechanisms and calculate thermodynamic and kinetic parameters. Different case histories support the discussion. At first, we have selected two basic examples from the industrial chemistry practice, e.g. ammonia and methanol synthesis, which may be described through a relatively simple reaction pathway. Then, a more complex reaction network is deeply discussed to define the conversion of bioethanol into syngas/hydrogen or into building blocks, such as ethylene.

Industries, which are mainly responsible for high energy consumptions, need to invest in research projects in order to develop new managing systems for rational energy use and to tackle the devastating effects of climate change caused by human behavior. The study reported in this paper concerns the forging industry, where the production processes generally start with the heating of the steel in furnaces and continue with other processes, such as heat treatments and mechanical machining. One of the most critical operations, in terms of energy loss, is the opening of the furnace doors for the insertion and extraction operations. During this time, the temperature of the furnaces decreases by hundreds of degrees in a few minutes. Because the dispersed heat needs to be supplied again through the combustion of fuel, increasing the consumption of energy and the pollutant emissions, the evaluation of the amount of the lost energy is crucial for the development of operating or mechanical systems able to contain this dispersion. To perform this study, CFD simulation software was used. Results show that at the door opening, because of temperature and pressure differences between the furnace and the ambient, turbulences are generated. Results also show that the amount of energy lost for an opening of 10 minutes for radiation, convection and conduction is equal to 5606 MJ where convection is the main contributor with 5020 MJ. The model created, after being validated, has been applied to perform other simulations in order to improve the energy performance of the furnace. Results show that a reduction of the opening time of the door allows energy savings and limits pollutant emissions.

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.

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

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

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

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

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

Polydimethylsiloxane (PDMS) is one of the most popular elastomers and has been used in different fields, especially in biomechanics research. Among the many interesting features of this material, its hyperelastic behaviour stands out, which allows the use of PDMS in various applications, like the ones that mimic soft tissues. However, the hyperelastic behaviour is not linear and needs detailed analysis, especially the characterization of shear strain. In this work, two approaches, numerical and experimental, were proposed to characterize the effect of shear strain on PDMS. The experimental method was implemented as a simple shear testing associated with 3D digital image correlation and was made using two specimens with two thicknesses of PDMS (2 and 4 mm). A finite element software was used to implement the numerical simulations, in which four different simulations using the Mooney-Rivlin, Yeoh, Gent, and Polynomial hyperelastic constitutive models were performed. These approaches showed that the maximum value of shear strain occurred in the central region of the PDMS, and higher values emerged for the 2 mm PDMS thickness. Qualitatively, in the central area of the specimen, the numerical and experimental results have similar behaviours and the values of shear strain are close. For higher values of displacement and thicknesses, the numerical simulation results move further away from experimental values.

Polo-like kinase 1 (PLK1) plays a pivotal role in cell division regulation and emerges as a promising therapeutic target for cancer treatment. Consequently, the development of small-molecule inhibitors targeting PLK1 has become a focal point in contemporary research. The adenosine triphosphate (ATP)-binding site and the polo-box domain in PLK1 present crucial interaction sites for these inhibitors, aiming to disrupt the protein's function. However, designing potent and selective small-molecule inhibitors can be challenging, requiring a deep understanding of protein-ligand interaction mechanisms at these binding sites. In this context, our study leverages the fragment molecular orbital (FMO) method to explore these site-specific interactions in-depth. Through the FMO approach, we used the FMO method to elucidate the molecular mechanisms of small-molecule drug binding to these sites to design PLK1 inhibitors that are both potent and selective. Our investigation further entailed a comparative analysis of various PLK1 inhibitors, each characterized by distinct structural attributes. This comparison enhanced our understanding of the structure-activity relationships of these inhibitors, underscoring the efficacy of the FMO method in identifying critical binding features and predicting binding modes for small-molecule ligands. Furthermore, Our research spotlighted "hot spot" residues instrumental for selective and robust PLK1 binding. Our findings offer profound insights, priming the rational design of innovative potential PLK1 inhibitors with significant implications for developing anticancer therapeutics.

Pyrochlore oxides (A2B2O7) are potential nuclear waste substrate material due to their superior radiation resistance properties. We performed molecular dynamics simulations to study the structural properties and displacement cascades in ytterbium titanate pyrochlore (Yb2Ti2O7). We computed threshold displacement energy ( Ed ) and lattice constant ( ao) of Yb2Ti2O7. The effect of displacement cascades in Yb2Ti2O7 of recoils of energies 1 keV, 2 keV, 5 keV, 10 keV in different crystallographic directions ([100], [110], [111]) were studied. The number of defects is found to be proportional to the energy of incident PKA. Additionally, the Ed of pyrochlore is computed and it exhibits anisotropy. Furthermore, radiation damage in high-entropy pyrochlore (HEPy) i.e., YbYTiZrO7, YbGdTiZrO7 , Yb0.5Y0.5Eu0.5Gd0.5TiZrO7 were investigated and compared with Yb2Ti2O7. It was found that HEPy have a larger Ed as compared with Yb2Ti2O7 which exhibits characteristic of lower radiation damage resistance than HEPy. Our simulation proposed that HEPy alloys are more radiation resistant than individual pyrochlore constituents . This work will provide atomic insights in developing substrate materials for nuclear waste applications.

The aim of this work is to introduce new ways to model the I-V characteristic of a PV cell or PV module using straight lines and Bézier curves. This is a complete novel approach, Bézier curves being previously used mainly for computer graphics. The I-V characteristic is divided in three sections, modeled with lines and a quadratic Bézier curve in the first case and with three cubic Bézier curves in the second case. The result proves to be accurate and relies on the fundamental points usually present in the PV cell datasheets: Voc (the open circuit voltage), Isc (the short circuit current), Vmp (the maximum power corresponding voltage) and Imp (the maximum power corresponding current) and the parasitic resistances Rsh0 (shunt resistance at Isc) and Rs0 (series resistance at Voc). The proposed algorithm completely defines all the implied control points and the error is analyzed. The temperature and irradiance influence is also analyzed. The model is also compared using the least squares fitting method. The final validation shows how to use Bézier cubic curves to accurately represent the I-V curves of an extensive range of PV cells and arrays.

To understand functions of biomolecules such as proteins, not only structures but their conformational change and kinetics are important to be characterized but its atomistic details are hard to obtain both experimentally and computationally. We review our recent computational studies using novel enhanced sampling techniques for conformational sampling of biomolecules and calculations of their kinetics. For efficiently characterizing the free energy landscape of a biomolecule, we introduce the multiscale enhanced sampling method, which uses a combined system of atomistic and coarse-grained models. Based on the idea of Hamiltonian replica exchange, we can recover the statistical properties of the atomistic model without any biases. We next introduce the string method as a path search method to calculate the minimum free energy pathways along a multidimensional curve in high dimensional space. Finally we introduce novel methods to calculate kinetics of biomolecules based on the ideas of path sampling: One is the Onsager-Machlup action method, and the other is the weighted ensemble method. Some applications of above methods to biomolecular systems are also discussed and illustrated.

The study of co-fusion was one of the essential topics in the history of metallurgy in China. Simulation experiments had been an essential concept in the study of the co-fusion steelmaking process. This paper mainly studied the simulation experiments of co-fusion from two aspects: the replication of co-fusion swords by three different methods, and the micro-analysis of the co-fusion samples. The experimental results indicated that several co-fusion swords could be made by different processes, but the carbon content and surface hardness were quite different. During repeated forging welded, the microstructure of the samples transformed from laminated to homogenized, finally the steel with a uniform carbon content was obtained. It was challenging to find the characteristics of co-fusion from the homogenized samples. The results prompted people to rethink the microstructure characteristics of ancient co-fusion artifacts.

Finite element (FE) modeling is commonly used as a method to investigate the influence of medical devices, such as implants and screws and their effects on the biomechanical behavior of the spine. Another simulation method is a multi-body simulation (MBS), where the model is composed of several non-deformable bodies. MBS solvers generally require a very short computing time for dynamic tasks compared to an FE analysis. Considering this computational advantage, in this study, we examine whether parameters whose values are not known a priory can be determined with sufficient accuracy using MBS model. Therefore, we propose a Many-at-a-time sensitivity analysis method that allows approximating these a priory unknown parameters without requiring long simulation times. This method enables a high degree of MBS model optimization to be achieved in an iterative process. The sensitivity analysis method is applied to a simplified screw-vertebra model, consisting of an anterior anchor implant screw and vertebral body of C4. An experiment described in the literature is used as a basis for developing and assessing the potential of the method for sensitivity analysis and to validate the models action. The optimal model parameters for the MBS model were determined to be c=823224N/m for stiffness and d=488Ns/m for damping. The presented method of parameter identification can be used in studies including more complex MBS spine models or to set initial parameter values that are not available as initial values for FE models.

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

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

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

The safety of lithium-ion batteries is critical to the safety of battery electric vehicles (BEVs). The purpose of this work is to develop a method to predict battery thermal runaway in full electric vehicle crash simulation. The thermal-electrical-mechanical coupled finite element analysis is used to model an individual lithium-ion battery cell, a battery module, a battery pack, and a battery electric vehicle with 24 battery modules in a live circuit connection. The lithium-ion battery is modeled using a representative approach, with each battery internal component individually modeled to represent its geometric shape and realistic thermal, mechanical, and electrical properties. A resistance heating solver and Randles circuit model built with generalized voltage source are used to simulate the battery electrical behavior. The thermal simulation of the battery accounts for the heat capacity and thermal conductivity of various cell component materials, as well as heat conduction, radiation, and convection at their interfaces. The mechanical property of battery cell and battery module models is validated using spherical punch tests. The electrical property of the battery cell and battery module models is verified against CircuitLab simulation in an external short circuit test. The simulation result of battery module’s internal resistance agrees with the experimental data and the literature value. The multi-physics coupling phenomenon is demonstrated with a cylindrical compression simulation on the battery module. The multi-physics BEV model with 24 live battery modules is used to simulate the external short-circuit test and the side pole impact test. The simulations run time is less than 24 hours. The results demonstrated the feasibility of using representative battery model and multi-physics analysis to predict battery thermal runaway in full electric vehicle crash analysis.

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

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

3D-printed models with high anatomic fidelity are an increasingly viable tool in simulation-based medical education. One advantage of 3D models is they provide enhanced tactile and spatial understanding of complex anatomy to develop technical skills used in minimally invasive procedures. We propose that 3D anatomical models can improve the development of Interventional Radiology vascular access skills – first described in the 1950s as the Seldinger Technique – for pre-clerkship medical students. Early adoption of 3D-printed technology in pre-clinical medical education can lead to improved student engagement and satisfaction when learning procedural techniques. This study involved creating a 3D model of the upper extremity vasculature from an anonymized CT angiogram, using it as a medical education tool for 31 pre-clinical medical students practicing the Seldinger Technique on a prefabricated venipuncture arm, and assessing student satisfaction with this form of learning. Overall, attendees responded positively to the incorporation of the 3D model in medical education to improve their anatomic understanding and application to the Seldinger Technique. These results indicate that the use of 3D models in simulation-based medical education can provide benefits to acquiring technical skills and the potential to decrease training costs without harming a patient.

Intelligent ship technology is currently an international research hotspot, and model predictive control is widely used in the path-tracking control of intelligent vehicles. To construct an intelligent ship anti-disturbance path-tracking control method, firstly, an environmental disturbance model was constructed with the actual meteorological data of the target sea area. Secondly, the Fossen ship equation of motion is linearized and discretized as the ship motion model. Thirdly, the expression of the prediction equation is derived from the ship motion model. Fourthly, the cost function is constructed by using the polar diameter and polar angle values of the ship. Fifth, the power function in the cost function is replaced with an exponential function to obtain an improved cost function. Sixthly, according to the Lyapunov theory and the MPC terminal constraint theory, the stability of the improved cost function is verified. Seventh, different test paths are set up, the environmental disturbance model is taken as the external disturbance, the ship motion model, the prediction equation, and the improved cost function are used to design the anti-disturbance path-tracking control algorithm according to the model prediction control idea for simulation experiments. Finally, different MATLAB simulation results show that the improved cost function can resist disturbance of the external wave, current, and wind, and effectively track the target path. Therefore, this study provides a reference for improving the navigation safety of ship path-tracking.

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

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

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

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

The details of antigen-antibody interactions and the identification of epitopes are critical for the development of monoclonal antibody drugs. Ab42 is a native human-derived anti-CFH monoclonal antibody. In this study, the interaction between antigen pCFH and antibody (Ab42) was theoretically demonstrated by molecular docking and MD simulation, combined with free energy calculation and computational alanine scanning (CAS), and key amino acids and epitopes were identified. Experimental alanine scanning (EAS) was then carried out to verify the results of the calculation, and our results indicated that Ab42 antibody forms hydrogen bonds and interacts hydrophobically with pCFH through the Tyr315, Ser100, Gly33, and Tyr53 residues on its CDR, while the main pCFH epitopes are located at the six sites of Pro441, Ile442, Asp443, Asn444, Ile447, and Thr448. In conclusion, this study has explored the mechanism of antigen-antibody interaction from both theoretical and experimental aspects, and our results have important theoretical significance for the design and development of relevant antibody drugs.

Amorphous Indomethacin has enhanced bioavailability over its’ crystalline forms, yet amorphous forms can still possess a wide variety of structures. Here, Empirical Potential Structure Refinement (EPSR) has been used to provide accurate molecular models on the structure of five different amorphous Indomethacin samples, that are consistent with their high energy x-ray diffraction patterns. It is found that the majority of molecules in amorphous Indomethacin are non-bonded or bonded to one neighboring molecule via a single hydrogen bond, in contrast the doubly bonded dimers found in the crystalline state. The EPSR models further indicate a substantial variation in hydrogen bonding between different amorphous forms, leading to a diversity of chain structures not found in any known crystal structures. The majority of hydrogen bonds are associated with the carboxylic acid group, although a significant number of amide hydrogen bonding interactions are also found in the models. Evidence of some dipole-dipole interactions are also observed in the more structurally ordered models. The results are consistent a distribution of Z-isomer intra-molecular type conformations in the more disordered structures, that dis-tort when stronger inter-molecular hydrogen bonding occurs. The findings are supported by 1H and 2H NMR studies of the hydrogen bond dynamics in amorphous Indomethacin.

Environmental preservation presents numerous challenges, particularly in capturing carbon di-oxide. Despite multiple studies on this topic, there remains a need for additional capture plants, particularly in the energy sector. The power industry emits flue gas during its post-combustion process, and capturing carbon dioxide from this gas would make power plants more environ-mentally friendly while aiding the preservation of the planet. The work conducted in This study aimed to investigate the gap in knowledge to contribute to the development of a better world without harming it. The identified research gap reveals no established optimal monoethanola-mine (MEA) solvent concentration for the process. A simulation was performed using Aspen Hysys to analyze the absorption efficiency at higher solvent concentrations and address this is-sue. The input data was obtained from a flue gas capture plant in the UK. The results obtained from discrete increments indicate an optimal solid result for an MEA concentration of 36 wt.%. Further analysis of temperature and pressure revealed that other solvents, such as diethanola-mine (DEA) and triethanolamine (TEA), are more stable at higher concentrations and that DEA and TEA at the same concentration as MEA consumed significantly less energy to capture carbon dioxide.

The years 2021 and 2022 showed that maritime logistics are prone to interruptions. Especially the ports turned out to be bottlenecks with long queues of waiting vessels. This leads to the question of whether this can be (at least partly) mitigated by means of better and more flexible terminal operations. Digital Twins have been in use in production and logistics to increase flexibility in operations and are considered a reasonable fit. They are suitable for real-time data integration to support decision-making. However, the true potential of Digital Twins to enhance terminal operations still needs to be further investigated. A Delphi study is conducted to explore operational pain points, best practices to counter them, and how these best practices can be supported by Digital Twins. A questionnaire with 16 propositions is developed, and a panel of 17 experts is asked for their degrees of confirmation for each. The results indicate that today’s terminal operations are far from ideal and leave space for optimisation. The experts see great potential in analysing past working shifts data to identify reasons for poor terminal performance. Moreover, they agree on the proposed best practices and support the use of aiding IT solutions.

Point defects induced by doping rare earth elements RE (Nd, Er) into the magnesium oxide host were investigated by classical atomistic simulations utilising the General Utility Lattice Program (GULP). Formation and association energies were calculated for the potential defect structures. Both isolated defects and defect complexes were considered. The most energetically favourable structures of defect complexes were found for rare earth doped and Li co-doped systems. The correlation between the association energy and the structure of the defect complex was investigated. The influences of Li were revealed with respect to energy and structure. The simulation results contribute to the understanding of the point defects of doped MgO and how Li influences the doping of rare earth elements in the MgO host.

In recent years, the economics of emotions (EoE) field, which aims to create models of the human mind, has grown quickly. EoE models work well with simulation theory (ST), which is one of the main theories of mind. EoE models show how people's behavior and emotions change based on their knowledge and perception of others. It is hoped that by developing this model, it will be possible to quantitatively analyze not only the mental states of real others, but also the subtleties of the minds of characters in novels in the future. Until now, the decision-making or the factual-reasoning mechanisms have been a black box in ST. This study analyzes how EoE models add to the understanding of ST.

This study aims to analyse the technical viability and economic feasibility of rainwater harvesting systems for single and multifamily residential buildings in the city of Florianópolis, Brazil. Simulations were conducted for representative buildings in the city under different water usage scenarios and system designs, in a total of 36 simulation scenarios. An economic analysis was performed for four scenarios over a twenty-year period. Both initial and operational costs were considered and net present value, internal rate of return and payback used as feasibility indicators. Almost all of the cases simulated were technically viable for the group of houses, and up to 78.9% for flats. As for the economic analysis, for houses, between 60.1% and 74.8% of the cases were economically feasible, achieving a discounted payback period ranging from 6.2 to 8.6 years. For flats, between 57.8% and 64.2% of the cases were economically feasible, achieving a discounted payback period ranging from 4.8 to 5.6 years. As the water tariff in the city underwent changes recently, the former and current tariff formats were compared. The current tariff format provides more economic benefits for saving potable water, and leads to a higher net present value and a shorter discounted payback period.

This paper provides the first-time ever analytic modelling for Pointwise Stationary Fluid Flow Approximation(PSFFA) model of the non-stationary

The energy crisis is currently a major topic in scientific and managerial discussions in the building and construction industry. While employing low-cost strategies for reducing energy usage is beneficial for principals and decision-makers, the primary purpose of this study is to recommend the use of phase change materials (PCM) to improve cooling and heating load management in buildings. In order to accomplish this, the study applies design-builder simulations to a developing country case study. The results indicate that integrating PCM in buildings can reduce energy usage by around 6 percent. Although this value may be lower than other techniques, it is nevertheless important for reaching green building goals in both developed and developing nations. The case study, which takes place in a four-season region, demonstrates the significant potential of the PCM system for both cooling and heating energy management. In addition, the reciprocal performance improvement of PCMs is a remarkable characteristic, especially when contrasted to some conventional systems that focus on a single energy management objective in buildings. Lastly, it should be underlined that the suggested platform is consistent with Sustainable Development Goal 7 (Affordable and Clean Energy Targets).

This paper introduces an innovative framework for the integration of artificial empathy into robot swarms to enhance communication and cooperation. The proposed model relies on fuzzy state vectors to represent the knowledge and environment of individual agents, accommodating uncertainties in the real world. Utilizing similarity measures, the model compares states, enabling empathetic reasoning for synchronized swarm behavior. A practical application example demonstrates the model’s efficacy in a robot swarm striving for a common goal. The evaluation methodology involves the Open Source Physical-based Experimentation Platform (OPEP), emphasizing empirical validation in real-world scenarios. The paper proposes a transitional environment that allows automated and repeatable execution of experiments on a swarm of robots using physical devices.

The CMT (Cold Metal Transfer) arc welding process is a convenient instrument for the assembly of thin sheets [1], [2]. More particularly, it permits the decrease of the amount of heat transferred to the parts to-be assembled, thus reducing their subsequent deformations. The present work aims at simulating the CMT welding of thin stainless-steel sheets in order to develop an approach that allows the prediction of temperature fields, as well as final deformations induced by the welding process. For that purpose, instrumented tests and numerical simulations were set aiming at comparing the experiments with simulations. Butt-welding of stainless-steel sheets was considered, with a thickness ranging from 1 to 1.2 mm. The weld seam samples were observed in order to set an equivalent heat source for each configuration. Moreover, the electric current and voltage were surveyed, and temperature measurements were performed using K-type thermocouples. In addition, displacement measurements were obtained using the DIC (Digital Image Correlation) technique. Thermomechanical simulations were then carried out using an equivalent heat source approach, considering the phase changes of elements, i.e. the transitions from solid to liquid and from liquid to solid. These simulations also consider the actual geometry of seams induced by addition of a filler material.

Chromium poisoning strongly influences the performance of solid oxide fuel cell (SOFC) stacks. A three-dimensional, time-dependent, computational fluid dynamics model of a single channel of a F10 SOFC stack in Forschungszentrum Jülich GmbH is developed to investigate chromium poisoning for different stack designs, temperatures and absolute air humidities. The model takes into account both chemical and electrochemical mechanisms of chromium poisoning and is able to predict the spatial distribution of SrCrO4 and Cr2O3. The voltage degradation over 100 kh can be simulated quantitatively. According to the simulation results, chromium poisoning is almost eliminated by the application of the protective coating fabricated by the atmospheric plasma-spraying (APS) technology. Besides, with the help of the APS protective coating, operating a SOFC stack with less dehumidified air at 650 oC is possible according to the simulation.

Knowledge of water availability in terms of spatial (i.e., depth) and temporal variability of soil water is essential to describe soil water infiltration and storage processes accurately. Therefore, performing simulations of soil water dynamics can be a valuable tool to evaluate different land uses and their impact on water availability. Consequently, this study aimed to model the volumetric soil water content (θ, cm3 cm-3) under agroforestry systems (AFS) with cocoa. For this purpose, the θ was monitored at different depths (0-20, 20-40, 40-60, 60-80, 80-100 cm) in the soil profile of four plots (20 × 50 m) of cocoa under agroforestry systems. Environmental conditions significantly influenced the water balance of the cocoa crop. There were seven moments when evapotranspiration (ET0) was higher than 5 mm d-1. During those moments, the environment exhibited higher PAR values of 1041 µmol m-2 s-1, very low atmospheric relative humidity (RHa) levels (around 45%), higher ambient temperatures of 32.2 ºC and a vapor pressure deficit of 1.6 kPa whose θ levels reached 0.32 cm3 cm-3 and a water balance of -5.7 mm, which presented negative values during most of the study period. The θ obtained from the HYDRUS-1D model presented a slight bias as a high level of coherence between the observed values, based on the model's goodness-of-fit estimators. The above provides accurate simulations of soil water content at various depths, much-needed information for management schemes for cocoa cultivation under agroforestry systems.

The cities of the future are places of sustainable mobility and a continuous reduction in the amount of harmful substances entering the surrounding environment. Current emission models are mainly dedicated to fully combustion vehicles and do not fully reflect the actual emissions of vehicles in the fleet, which is becoming increasingly diverse. The increasing share of hybrid and electric vehicles is generating the need to measure emissions and energy consumption from these vehicles and to develop new emission models that are accurate. This problem mainly concerns low-emission zones in cities, where mobility planning should be based on simulation models that are based on a continuously updated database. This work concerns the proposal of a two-dimensional model of emissions from hybrid vehicles using artificial neural networks for low-emission zones. The results can be used to further develop such emission models.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

This paper evaluates an architectural design using an Energy Consumption consideration of Natural Ventilation in a hot dry climate (Khartoum State), at dwellings design applied. Method was used analysis of Autodesk IEVS software natural ventilation and energy consumption simulation. It resulted that to cooling, by natural ventilation in dwelling design used to get indoor temperature at the comfortable level during the summer. The Best-Case Situation of natural ventilation with consider of energy saving Based on the CFD simulation analysis, the performance of internal air velocity is approximately 0.7m/s. The wind velocity starts to slow down towards the rear of the apartment spaces. Approximately 95% of the internal areas have average air velocity between 0.43 m/s to 0.9 m/s. Internal Air flow pattern single floor house plan at Khartoum (Alazhari City); showing the internal air velocity of 0.7m/s near the window opening positions with the wind directions in the details and pressure of the air as worst-case situation, with velocity and temperature of the air with average 22o as a best-case situation. during a year. Architectural design process in the urban area of Alazhari City for dwelling towards to saving energy was applied and determined into an urban planning neighbourhood at Khartoum.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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