This work addresses the lot-sizing and production scheduling problem of multi-stage multi-product food industrial facilities. More specifically, the production scheduling problem of the semi-continuous yogurt production process, for two large-scale Greek dairy industries, is considered. Production scheduling decisions are taken using two approaches: i) an optimization and ii) a rule-based approach, followed by a comparative study. A MILP model is applied for the optimization of short-term production scheduling of the two industries. Then, the same problems are solved using the commercial scheduling tool ScheduleProTM, which derives scheduling decisions, using simulation-based techniques and empirical rules. It is concluded that both methods, despite having their advantages and disadvantages, are suitable for addressing complex food industrial scheduling problems. The optimization-based approach leads to better results in terms of operating cost reduction. On the other hand, the complexity of the problem and the experience of production engineers and plant operators can significantly impact the quality of the obtained solutions for the rule-based approach.

The study considers building a dynamic model of profit maximization for the car-sharing system and its verification on the example of implementing such a system in Astana (Republic of Kazakhstan). The region, bounded by the administrative boundaries of Astana, was divided into subregions by covering the region with regular hexagons placed side by side. A dataset was built with information on 1168 trips to Astana from January to March 2023. The Kepler visualization service constructed maps of the beginning and end of trips in the region and a map of trips binding to the hexagonal grid cells. Each cell of the grid corresponds to a specific sub-region, for which the quantitative parameters necessary for solving the profit maximization problem in the car-sharing system are calculated. Stations with cars will be placed in the cells of the grid, which will be available to car-sharing service customers. Based on the collected data, a dynamic (four periods per day) and static profit maximization model in the car-sharing system was built. Modeling was carried out based on the built models in the example of Astana. It was established that using a dynamic model of profit maximization in the car-sharing system increases the profit by 3.7%.

Limonene is a valuable monoterpenoid that with diverse applications. Microbial biosynthesis offers a sustainable alternative to plant-based extraction, which is prone to hinderance by climate change and acreage. In the present study, the effects on limonene production of carbon source, inoculum, working volume, temperature, pH, dodecane coverage, and media were investigated with engineered strains of Rhodosporidium toruloides. Through single-factor and orthogonal experiments, the limonene titer was improved from 52.2 to 358.1 mg/L on 250-mL flask, a 586% increase. The optimized medium was MM, with a working volume of 50 mL, inoculum OD600=0.6, 22 °C, pH 6, and dodecane coverage (v/v) of 20%. The results here demonstrated that the R. toruloides could be explored as an efficient limonene producer and facilitate other monoterpenoids biosynthesis with R. toruloides.

In traditional oriental medicine, carrots (Daucus carota L.) are considered effective medicinal herbs; however, the use of D. carota leaves (DGL) as therapeutic agents has not been explored in depth. Therefore, we aimed to demonstrate the value of DGL, generally treated as waste while developing plants for wide industrial availability. Six flavone glycosides were isolated and identified from DGL, and their constituents were identified and quantitated using an NMR and HPLC/UV method, which was optimized and validated. The structure of chrysoeriol-7-rutinoside from DGL was elucidated for the first time. The method exhibited adequate relative standard deviation (<1.89%) and recovery (94.89–105.97%). The deglycosylation of DGL flavone glycosides by Viscozyme L and Pectinex was assessed. Upon converting the reaction contents to percentages, the luteolin, apigenin, and chrysoeriol groups showed values of 85.8, 33.1, and 88.7%, respectively. The enzyme-treated DGL had a higher inhibitory effect on TNF-α and IL-2 expression than that of the carrot roots or carrot leaves without enzyme treatments. These results highlight the importance of carrot leaves and could be used as baseline standardization data for commercial development.

In this study, a multiobjective, multiperiod, global optimization for design, sizing and dispatch of an islanded, hybrid microgrid was performed using a model built in MATLAB. The system was simulated over one year for sizing and over one day for dispatch, both using hourly time steps. The model minimized lifecycle levelized costs, emissions, lost load and dumped power while maximizing penetration of clean, renewable sources in the microgrid. This found optimal capacities of the renewable, energy storage and backup generation components which provide the best combination of affordability, sustainability, reliability and efficiency. After experimenting with several global solvers, it was determined that particle swarm optimization is most well-suited to solving the sizing optimization problem. The PV-wind microgrid using Li-ion batteries along with diesel engines was found to perform best among all the combinations considered. It was found that in spite of including additional objectives, monetary costs are the primary driver while allocating generation capacity between different renewable sources like wind versus solar PV. Furthermore, the sizing of PV, wind and battery storage depends strongly on the rating of the standby distributed generator, mainly due to reliability consideration. Generating Pareto-optimal sets revealed interesting relationships between different input variables (i.e. PV, wind and battery capacities) as well as trade-offs that arise while pursuing different objectives. Pursuing cost-minimization alone may lead to sub-optimal outcomes in terms of environmental impact, reliability and excess energy production. A sensitivity analysis was also conducted to understand the effects of various parameters like fuel price and energy storage costs on the optimal system's design and operation. Such accurate sizing programs help reduce the extent of oversizing of sub-systems during the design and planning stage, which is usually needed to achieve high reliability with distributed and decentralized energy systems like off-grid microgrids. This reduces the upfront capital investment needed to build the system, making clean electricity access affordable in the short term. The economic-environmental dispatch produced day-ahead scheduling strategies to meet the above mentioned objectives. The system was found to be relatively robust to short-term uncertainties and disturbances in renewable generation and load, although this does cause sub-optimal performance due to increased reliance on fossil fuels. It was found that dispatching of the batteries and backup generators is most critical in minimizing impacts of such events. However, the response to longer-term disturbances still remains to be assessed. The study also includes a comprehensive literature review of tools available for microgrid design as well as different optimization algorithms that have been used to solve microgrid sizing, dispatch and scheduling problems. Additionally, an overview is provided of various control strategies that can be used to improve robustness and resiliency of microgrids.

Fuel consumption, subsequent emissions and safe operation of class 8 vehicles are of prime importance in recent days. It is imperative that the vehicle operates in its true optimal operating region given a variety of constraints such as road grade, load, gear shifts, Battery State of charge (for hybrid vehicles), etc. In this paper a research study is conducted to evaluate the fuel economy and subsequent emission benefits when applying predictive control to a mild hybrid line haul truck. The problem is solved using a combination of dynamic programming with back tracking and model predictive control. The specific fuel saving features that are studied in this work are dynamic cruise control, gear shifts, vehicle coasting and torque management. These features are evaluated predictively as compared to a reactive behavior. The predictive behavior of these features are a function of road grade. The result and analysis shows significant improvement in fuel savings along with NOx benefits. Out of the control features dynamic cruise (predictive) control and dynamic coasting showed the most benefits while predictive gear shifts and torque management (by power splitting between battery and engine) for this architecture did not show fuel benefits but provided other benefits in terms of powertrain efficiency.

The biomimetic design of engineering structures is based on biological structures with excellent mechanical properties, which are the result of billions of years of evolution. However, current biomimetic structures, such as ordered lattice materials, are still inferior to many biological materials in terms of structural complexity and mechanical properties. For example, the structure of \textit{Euplectella aspergillum}, a type of deep-sea glass sponge, is an eye-catching source of inspiration for biomimetic design; however, guided by scientific theory, how to engineer structures surpassing the mechanical properties of \textit{E. aspergillum} remains an unsolved problem. The lattice structure of the skeleton of \textit{E. aspergillum} consists of vertically, horizontally, and diagonally oriented struts, which provide superior strength and flexural resistance compared with the conventional square lattice structure. Herein, the structure of \textit{E. aspergillum} was investigated in detail, and by using the theory of elasticity, a lattice structure inspired by the bionic structure was proposed. The mechanical properties of the sponge-inspired lattice structure surpassed the sponge structure under a variety of loading conditions, and the excellent performance of this configuration was verified experimentally. The proposed lattice structure can greatly improve the mechanical properties of engineering structures, and it improves strength without much redundancy of material. This study achieved the first surpassing of the mechanical properties of an existing sponge-mimicking design. This design can be applied to lattice structures, truss systems, and metamaterial cells.

One of the most dangerous diseases that threaten people is Cancer. Cancer if diagnosed in earlier stages can be eradicated with its life threatening consequences. In addition, accuracy in prediction plays a major role. Hence, developing a reliable model that contributes much towards the medical community in early diagnosis of Biopsy images with perfect accuracy come to the scenario. The article aims towards development of better predictive models using multi-variate data and high-resolution diagnostic tools in clinical cancer research. This paper proposes the social spider optimization (SSO) algorithm tuned neural network to classify microscopic biopsy images of cancer. The significance of the proposed model relies on the effective tuning of the weights of the NN classifier by the SSO algorithm. The performance of the proposed strategy is analysed with the performance metrics, such as accuracy, sensitivity, specificity, and MCC measures, and are attained to be 95.9181%, 94.2515%, 97.125%, and 97.68% respectively, which shows the effectiveness of the proposed method in effective cancer disease diagnosis.

An approach to estimating the objective function value of minimization maximum lateness problem is proposed. It is shown how to use transformed instances to define a new continuous objective function. After that, using this new objective function, the approach itself is formulated. We calculate the objective function value for some polynomially solvable transformed instances and use them as interpolation nodes to estimate the objective function of the initial instance. What is more, two new polynomial cases, that are easy to use in the approach, are proposed. In the end of the paper numeric experiments are described and their results are provided.

A single farmed fish species assimilates about 20% of the nutrients in the supplied diet. This study evaluated if the culture of complementary ecological-function species can recover nutrients dispersed into the water and transform them into high-valued biomass. A completely randomized experiment was designed with three treatments and four replications of each production system: monoculture of lambari (Astyanax lacustris); integrated aquaculture of lambari and Amazon river prawn (Macrobrachium amazonicum); and integrated aquaculture of lambari, Amazon river prawn, and curimbatá (Prochilodus lineatus). Fingerlings of lambari (0.8 ± 0.8 g) were stocked in twelve earthen-ponds (0.015 ha) at the density of 50 fish m^-2. Eight ponds, were stocked with juveniles of Amazon river prawn (1.1 ± 0.2 g) at the density of 25 prawn m⁻². Four of these eight ponds were stocked with curimbatá fingerlings (0.2 ± 0.1 g) at a density of 13 fish m^-². Only lambari was fed twice a day with an extruded commercial diet. The experiment lasted 60 days when lambari attained commercial size. The inclusion of prawn increased the total species yield from 1.8 to 2.4 t ha^-1 cycle^-1 and reduced the feed conversion ratio (FCR) from 2.5 to 1.8. The inclusion of prawn and curimbatá increased the total yield to 3.2 t ha^-1 cycle^-1 and reduced the FCR to 1.4. Therefore, the integrated culture of lambari, prawn, and curimbatá improves the use of space, water, feed, and benthic species can recover the large quantity of nutrients accumulated in the bottom of lambari pond production, converting them into high-nutritional and monetary-valued biomass.

Fires are complex multi-physics problems that span wide spatial scale ranges. Capturing this complexity in computationally affordable numerical simulations for process studies and “outer-loop” techniques (e.g., optimization and uncertainty quantification) is a fundamental challenge in reacting flow research. Further complications arise for propagating fires where a priori knowledge of the fire spread rate and direction is typically not available. In such cases, static mesh refinement at all possible fire locations is a computationally inefficient approach to bridging the wide range of spatial scales relevant to fire behavior. In the present study, we address this challenge by incorporating adaptive mesh refinement (AMR) in fireFoam, an OpenFOAM solver for simulations of complex fire phenomena involving pyrolyzing solid surfaces. The AMR functionality in the extended solver, called fireDyMFoam, is load balanced, models gas, solid, and liquid phases, and allows us to dynamically track regions of interest, thus avoiding inefficient over-resolution of areas far from a propagating flame. We demonstrate the AMR capability and computational efficiency for fire spread on vertical panels, showing that the AMR solver reproduces results obtained using much larger statically refined meshes, but at a substantially reduced computational cost. We then leverage the computational efficiency of the AMR solver to demonstrate an optimization framework for fire suppression based on the open-source Dakota toolkit.

Wireless sensor networks are attractive largely because they need no wired infrastructure. But precisely this feature makes them energy constrained. Recent studies find that sensing behaviors that are otherwise deemed efficient consume comparable energy with communication. The duty cycle scheduling is perceived as contributing to achieving energy efficiency of sensing. Because of different research assumptions and objectives, various scheduling schemes have various emphases. This paper designed an adaptive sensing scheduling strategy. The objective function of the scheduling strategy includes minimizing average energy expenditure and maximizing sensing coverage (reducing event miss-rate), and it requires relatively loose assumptions. We determine the functional relationship between the variables of the objective function and the step-size parameters of the proposed strategy through the numerical fitting. We found that the objective function aggregated by the fitting functions is a bivariate multi-peak function that favors the Fibonacci tree optimization algorithm. Once the optimization of parameters is done, the strategy can be easily deployed and behaves consistently in the coming hours. We name the proposed strategy as “FTOS”. The experimental results show that the Fibonacci tree optimization algorithm gets a better optimistic effect than the comprehensive learning particle swarm optimization (CLPSO) algorithm and differential evolution (DE) algorithm. The FTOS strategy is superior to the fixed time scheduling strategy in achieving the scheduling objectives. It also outperforms other strategies with the same scheduling objectives such as LDAS, BS, DSS and PECAS.

Hybrid Classical-Quantum computing has already arrived at several commercial quantum computers, offered to researchers and businesses. Here, applications are made to a model of financial options, Statistical Mechanics of Financial Markets (SMFM). These applications were published in many papers since the 1980's. This project only uses Classical (super-)computers to include quantum features of these models. Since 1989, an optimization code, Adaptive Simulated Annealing (ASA), has been to fit parameters in such models. Since 2015, a path-integral algorithm, PATHINT, used previously to accurately describe several systems in several disciplines, has been generalized from 1 dimension to N dimensions, and from classical to quantum systems, qPATHINT. Published papers have described the use of qPATHINT to neocortical interactions and financial options. The classical space by SMFM applies nonlinear nonequilibrium multivariate statistical mechanics to fit parameters in conditional short-time probability distributions, while the quantum space described by qPATHINT deals specifically with quantum systems, e.g., quantum money. This project thereby demonstrates how some hybrid classical-quantum systems may be calculated quite well using only classical (super-)computers.

Liver radioembolization is a treatment option for unresectable liver cancers, performed by infusion of 90Y or 166Ho loaded spheres in the hepatic artery. As tumoral cells are mainly perfused via the liver artery unlike hepatic lobules, a twofold tumor to normal liver dose ratio is commonly obtained. To improve tumoral cells killing while preserving lobules, co-infusion of arterial vasoconstrictor has been proposed but with limited success: the hepatic arterial buffer response (HABR) and hepatic vascular escape mechanism hamper the arterioles vasoconstriction. The proposed project aims to take benefit of the HABR by co-infusing a mesenteric arterial vasodilator: the portal flow enhancement inducing the vasoconstriction of the intra sinusoids arterioles barely impacting liver tumors that are mainly fed by novel and anarchic external arterioles. Animal studies were reviewed and dopexamine was identified as a promising safe candidate reducing by 4 the hepatic lobules arterial flow. A clinical trial design is proposed. A four to sixfold improvement of the tumoral to normal tissue dose ratio is expected, pushing the therapy towards a real curative intention, especially in HCC where ultra-selective spheres delivery is often not possible.

During the most recent years, a lot of research has been done in creating robots with more self-governance so that they can overcome the challenges that real world environments present. The robot's limited versatility in real world applications can be overcome by the development of Legged robots. Also, as they permit movement in unavailable territory to robots with wheels, Legged Robots are more advantageous. But the potency of the legged robots explicitly its energy usage among alternate points of view really fall behind robots that use wheels. So, the present status of development, there are as yet a few perspectives that need to be analysed, optimized and enhanced. This paper presents review of literature of various biologically inspired legged robots, various techniques adopted for their analysis and optimization and the analysis and optimization of the ones that are not biologically inspired

Full-waveform seismic data inversion has given rise to hope for the simultaneous and automated execution of tomography and imaging by solving a nonlinear least-squares optimization problem. As previously recognized, brute force minimization by classical methods is hopeless if the data lacks low temporal frequencies. The article developed a reliable numerical method for recovering smooth velocity using model space decomposition. We present realistic synthetic examples to test the presented algorithm.

Energy system optimization models (ESOM) are widely used to inform about energy transition strategies. The heterogeneity of consumers, especially in the heat sector, is rarely considered in these model types. Integrating consumer heterogeneity and behavioral factors into ESOMs may generate new insights for energy policy. In this study a literature review was conducted, identifying empirical data on consumer behavior for adopting residential heating systems. This data was integrated into an ESOM for the German heat sector, combining established methods for integrating consumer heterogeneity and a novel approach for calculating indirect costs, representing behavioral factors. The incorporation of consumer choice leads to a higher diversity in technology market shares in a business as usual and an ambitious measures scenario. Especially, the future role of log wood technologies in the private household sector may have been underestimated in previous studies and should be discussed, when designing policies. Still, these findings need to be handled with care, since the empirical data basis and the methodological basis is limited.

Cheating prevention in online exams is often hard and costly to tackle with proctoring, and it even sometimes involves privacy issues, especially in social distancing due to the pandemic of COVID-19. Here we propose a low-cost and privacy-preserving anti-cheating scheme by programmatically minimizing the cheating gain. A novel anti-cheating scheme we developed theoretically ensures that the cheating gain of all students can be controlled below a desired level aided by the prior knowledge of students’ abilities and a proper assignment of question sequences. Furthermore, a heuristic greedy algorithm we developed can refine an assignment of questions from a cyclic pool of question sequences to efficiently reduce the cheating gain. Compared to the integer linear programming and min-max matching methods in a small-scale simulation, our heuristic algorithm provides results close to the optimal solutions offered by the two standard discrete optimization methods. Hence, our anti-cheating approach could potentially be a cost-effective solution to the well-known cheating problem even without proctoring.

The paper presents models of path and control planning for parking, docking, and movement of autonomous vehicles at low speeds considering space constraints. Given the low speed of motion, and in order to test and approve the proposed algorithms, vehicle kinematic models are used. Recent works on the development of parking algorithms for autonomous vehicles are reviewed. Bicycle kinematic models for vehicle motion are considered for three basic types of vehicles: passenger car, long wheelbase truck, and articulated vehicles with and without steered semitrailer axes. Mathematical descriptions of systems of differential equations in matrix form and expressions for determining the linearization elements of nonlinear motion equations that increase the speed of finding the optimal solution are presented. Options are proposed for describing the interaction of vehicle overall dimensions with the space boundaries, within which a maneuver should be performed. An original algorithm that considers numerous constraints is developed for determining vehicle permissible positions within the closed boundaries of the parking area, which are directly used in the iterative process of searching for the optimal plan solution using nonlinear model predictive control (NMPC). The process of using NMPC to find the best trajectories and control laws while moving in a semi-limited space of constant curvature (turnabouts, roundabouts) are described. Simulation tests were used to validate the proposed models for both constrained and unconstrained conditions and the output (state-space) and control parameters' dependencies are shown. The proposed models represent an initial effort to model the movement of autonomous vehicles for parking and has the potential for other highway applications.

With the dramatic increase in world population, continued advances in modern greenhouse agriculture and plant growth practices are expected to help overcome the global problem of future food shortages. Next generation greenhouse design practices will need to address a range of issues, ranging from energy and land use efficiency to providing plant-optimised growth techniques. In this paper, we focus on investigating the optimum irradiation spectra matched to the lettuce species (Lactuca sativa, L.), which is commonly grown in greenhouse environments, in order to develop low-emissivity glass panes that maximize the biomass productivity of glass greenhouses. This low-emissivity glass passes the solar spectral components needed for crop growth, while rejecting other unwanted radiations, leading to significant energy savings and other beneficial effects related to greenhouse climate control, in a range of climates. This is due to reducing both the solar heat gain and photosaturation, which can raise the temperature of the crops to harmful levels. Experimental results show that substantial biomass productivity improvements in lettuce (up to ~14.7%) can be attained using spectrally optimized illumination, compared with white light irradiation. We also report on the development of advanced metal-dielectric thin-film filters that produce the optimum illumination spectrum when exposed to sunlight.

The aim of this study is to evaluate the optimal conditions of membrane filtration process. Both laboratory test and pilot-scale test were conducted to examine a treated water on blending water. The water sample were prepared by blending a raw water and the effluent water filtered through an organic membrane. The optimal efficiency in the treatment of water quality at the lab-scale test was generated under conditions of flux at 2.0 m³/m²∙day, the blending ratio of 4:1, and the optimal dosage of coagulant at 20 ppm. The pilot-scale test resulted in that the optimal efficiency was obtained under conditions of flux at 2.0 m³/m²∙day and the blending ratio of 6.0:1. However, the different results between lab-scale and pilot-scale tests on the optimal dosage of coagulant implied that it is difficult to achieve the stable condition of process operation at the low level of coagulant. In summary, the results indicated that, in the combination process of organic membrane and ceramic membrane, the recovery efficiency was achieved above the level of 98.4 %. Compared to 92.1 % in a single organic membrane process, the combination process is 6.3 % more efficient than the single one. This combination process of water treatment lead to stable recovery rates by the optimal input of dosage, less pollution load to water, and a stabilized filtration system.

Boiler efficiency is called to some extent of total thermal energy which can be recovered from the fuel. Boiler efficiency losses are due to four major factors: the dry gas flux, the latent heat of steam in the flue gas, the combustion loss or the loss of unburned fuel, radiation and convection losses. In this research, the thermal behavior of boilers in gas refinery facilities is studied and their efficiency and their losses are calculated. The main part of this research is comprised of analyzing the effect of various parameters on efficiency such as excess air, fuel moisture, air humidity, fuel and air temperature, the temperature of combustion gases, and thermal value of the fuel. Based on the obtained results, it is possible to analyze and make recommendations for optimizing boilers in the gas refinery complex using response-surface method (RSM).

Visual inertial odometry (VIO) has recently received much attention for efficient and accurate ego-motion estimation of unmanned aerial vehicle systems (UAVs). Recent studies have shown that optimization-based algorithms achieve typically high accuracy when given enough amount of information, but occasionally suffer from divergence when solving highly non-linear problems. Further, their performance significantly depends on the accuracy of the initialization of inertial measurement unit (IMU) parameters. In this paper, we propose a novel VIO algorithm of estimating the motional state of UAVs with high accuracy. The main technical contributions are the fusion of visual information and pre-integrated inertial measurements in a joint optimization framework, and the stable initialization of scale and gravity using relative pose constraints. To count for ambiguity and uncertainty of VIO initialization, a local scale parameter is adopted in the online optimization. Quantitative comparisons with the state-of-the-art algorithms on the EuRoC dataset verify the efficacy and accuracy of the proposed method.

Water is essential for living organisms. The increase in world population, global climate change and rapid growth in industrialization and urbanization have brought with them water issues around the world in recent years. Not only should existing water resources be used reasonably and efficiently but alternative water resources should also be explored and secured. Rainwater harvesting, which is one of the alternative water resources, can provide economic and environmental solutions. For rainwater harvesting, the size of reservoirs in which rainwater captured from roof catchments is stored should be determined. Determining the optimum tank capacity depending on precipitation and consumption rates allows us to make maximum use of rainwater tanks. The aim of this study is to determine the optimum tank capacity for the storage of rainwater captured from roof catchments in order to meet the water demand for agricultural production. Precipitation data were collected from the city of Isparta and its districts. Rainwater tank capacity was determined using the Rippl, residual mass curve, minimum flow and particle swarm optimization methods. Storage capacities varying according to roof areas and consumption rates are shown in a graph. Results show that particle swarm optimization is the best method.

The notion of enhancement of the image is to ameliorate the perceptibility of information contained in an image. In the present research, a novel technique for the enhancement of image quality is propounded using fuzzy logic technique with a cuckoo optimization algorithm. Generally, the image is transformed from RGB domain to HSV domain keeping the color information intact within the image. The image has been categorized into three regions: underexposed, overexposed and mixed region on the basis of two threshold values. For the fuzzification of under and overexposed area the degree of membership is defined by the Gaussian membership, while the mixed area is fuzzified by parametric sigmoid function. The key parameters like visual factors and fuzzy contrast provide the quantitative analysis of an image. An objective function is framed which involves entropy and visual factor has been optimized by a new evolutionary cuckoo optimization algorithm. The results procured after simulation by the cuckoo optimization algorithm are compared with Bacterial foraging algorithm and ant colony optimization based image enhancement and this approach is found to be improved.

The unpredictable increase in electrical demand affects the quality of theenergy throughout the network. A solution to the problem is the increase of distributedgeneration units which burn fossil fuels.While this is an immediate solution to theproblem the ecosystem gets affected by the emission of CO2.A promising solutionis the integration of Distributed Renewable Energy Sources (DRES) to the conventionalelectrical system, thus, introducing the concept of smart microgrids (SMG) that requirea safe, reliable and technically planned two-way communication system. This documentpresents a heuristic based on planning capable of providing a bidirectional communicationnear optimal route map, following the structure of an hybrid Fiber-Wireless (FiWi) with thepurpose of obtaining information of electrical parameters that help us to manage the useof energy by integrating conventional electrical system to SMG. A FiWi network is basedon the integration of wireless access and optical networks. This integration increases thecoverage and reliability at a lower cost. The optimization model is based on clusteringtechniques, through the construction of balanced conglomerates. The method is used forthe development of the clusters along with the Nearest-Neighbor Spanning Tree Algorithm(N-NST). Additionally, Optimal Delay Balancing (ODB) model will be used to minimizethe end to end delay of each grouping. In addition, the heuristic observes real designparameters such as: capacity and coverage. Using the Dijkstra algorithm, the routes arebuilt following the minimum shorter path. Therefore, this paper presents a heuristic able to plan the deployment of smart meters (SMs) through a tree-like hierarchical topology for theintegration of SMG at the lowest cost.

In this study, the coating order of two monomers in the shell polymerization process of core–shell nanoparticles was altered to facilitate easy coating and optimize the properties of the coated surface to simplify the additional coating formulation process. To obtain a glass transition temperature suitable for coating, a core was synthesized by the copolymerization of an acryl monomer. A perfluoro monomer and silane monomer were additionally added to synthesize nanoparticles exhibiting both water–oil repellency and anchoring properties. In order to realize various surface properties, the nanoparticles underwent surface modification and cellulose fiber was introduced. Through the various data described in this text, the surface properties improved with the order of introduction of the two monomers.

To date, several independent methods and algorithms exist exploiting constraint-based stoichiometric models to find metabolic engineering strategies that optimize microbial production performance. Optimization procedures based on metaheuristics facilitate a straightforward adaption and expansion of engineering objectives as well as fitness functions, while being particularly suited for solving problems of high complexity. With the increasing interest in multi-scale models and a need for solving advanced engineering problems, we strive to advance genetic algorithms, which stand out due to their intuitive optimization principles and proven usefulness in this field of research. A drawback of genetic algorithms is that premature convergence to sub-optimal solutions easily occurs if the optimization parameters are not adapted to the specific problem. Here, we conducted comprehensive parameter sensitivity analyses to study their impact on finding optimal strain designs. We further demonstrate the capability of genetic algorithms to simultaneously handle (i) multiple, non-linear engineering objectives, (ii) the identification of gene target-sets according to logical gene-protein-reaction associations, (iii) minimization of the number of network perturbations, and (iv) the insertion of non-native reactions, while employing genome-scale metabolic models. This framework adds a level of sophistication in terms of strain design robustness, which is exemplarily tested on succinate overproduction in Escherichia coli.

In the present study, a hybrid optimizing algorithm has been proposed using Genetic Algorithm (GA)and Particle Swarm Optimization (PSO) for Artificial Neural Network (ANN) to improve the estimation of electricity demand of the state of Tamil Nadu in India. The GA-PSO model optimizes the coefficients of factors of gross state domestic product (GSDP) , electricity consumption per capita, income growth rate and consumer price index (CPI) that affect the electricity demand. Based on historical data of 25 years from 1991 till 2015 , the simulation results of GA-PSO models are having greater accuracy and reliability than single optimization methods based on either PSO or GA. The forecasting results of ANN-GA-PSO are better than models based on single optimization such as ANN-BP, ANN-GA, ANN-PSO models. Further the paper also forecasts the electricity demand of Tamil Nadu based on two scenarios. First scenario is the "as-it-is" scenario , the second scenario is based on milestones set for achieving goals of "Vision 2023" document for the state. The present research also explores the causality between the economic growth and electricity demand in case of Tamil Nadu. The research indicates that a direct causality exists between GSDP and the electricity demand of the state.

In the present study, a hybrid optimizing algorithm has been proposed using Genetic Algorithm (GA)and Particle Swarm Optimization (PSO) for Artificial Neural Network (ANN) to improve the estimation of electricity demand of the state of Tamil Nadu in India. The GA-PSO model optimizes the coefficients of factors of gross state domestic product (GSDP) , electricity consumption per capita, income growth rate and consumer price index (CPI) that affect the electricity demand. Based on historical data of 25 years from 1991 till 2015, the simulation results of GA-PSO models are having greater accuracy and reliability than single optimization methods based on either PSO or GA. The forecasting results of ANN-GA-PSO are better than models based on single optimization such as ANN-BP, ANN-GA, ANN-PSO models. Further the paper also forecasts the electricity demand of Tamil Nadu based on two scenarios. First scenario is the “as-it-is” scenario, the second scenario is based on milestones set for achieving goals of “Vision 2023” document for the state. The present research also explores the causality between the economic growth and electricity demand in case of Tamil Nadu. The research indicates that a direct causality exists between GSDP and the electricity demand of the state.

Kelly's Criterion is well known among gamblers and investors as a method for maximizing the returns one would expect to observe over long periods of betting or investing. These ideas are conspicuously absent from portfolio optimization problems in the financial and automation literature. This paper will show how Kelly's Criterion can be incorporated into standard portfolio optimization models. The model developed here combines risk and return into a single objective function by incorporating a risk parameter. This model is then solved for a portfolio of 10 stocks from a major stock exchange using a differential evolution algorithm. Monte Carlo calculations are used to verify the accuracy of the results obtained from differential evolution. The results show that evolutionary algorithms can be successfully applied to solve a portfolio optimization problem where returns are calculated by applying Kelly's Criterion to each of the assets in the portfolio.

The process of modelling energy systems is accompanied by challenges inherently connected with mathematical modelling. However, due to modern realities in the 21st century, existing challenges are gaining in magnitude and are supplemented with new ones. Modellers are confronted with a rising complexity of energy systems and high uncertainties on different levels. In addition, interdisciplinary modelling is necessary for getting insight in mechanisms of an integrated world. At the same time models need to meet scientific standards as public acceptance becomes increasingly important. In this intricate environment model application as well as result communication and interpretation is also getting more difficult. In this paper we present the open energy modelling framework (oemof) as a novel approach for energy system modelling and derive its contribution to existing challenges. Therefore, based on literature review, we outline challenges for energy system modelling as well as existing and emerging approaches. Based on a description of the philosophy and elementary structural elements of oemof, a qualitative analysis of the framework with regard to the challenges is undertaken. Inherent features of oemof such as the open source, open data, non-proprietary and collaborative modelling approach are preconditions to meet modern realities of energy modelling. Additionally, a generic basis with an object-oriented implementation allows to tackle challenges related to complexity of highly integrated future energy systems and sets the foundation to address uncertainty in the future. Experiences from the collaborative modelling approach can enrich interdisciplinary modelling activities. Our analysis concludes that there are remaining challenges that can neither be tackled by a model nor a modelling framework. Among these are problems connected to result communication and interpretation.

The weight coefficients of the diaphragm spring depend on experiences in the traditional optimization. However, this method not only cannot guarantee the optimal solution but it is also not universal. Therefore, a new optimization target function is proposed. The new function takes the minimum of average compress force changing of the spring and the minimum force of the separation as total objectives. Based on the optimization function, the result of the clutch diaphragm spring in a car is analyzed by the non-dominated sorting genetic algorithm (NSGA-II) and the solution set of Pareto is obtained. The results show that the pressing force of the diaphragm spring is improved by 4.09%by the new algorithmand the steering separation force is improved by 6.55%, which has better stability and steering portability. The problem of the weight coefficient in the traditional empirical design is solved. The pressing force of the optimized diaphragm spring varied slightly during the abrasion range of the friction film, and the manipulation became remarkably light.

The development of virtual models has recently been generalized in the field of complex mechatronic product design. Virtual models have various advantages such as: the systemic design approach, most often parametric, the implementation of extreme, expensive, and perhaps risky scenarios for the operation of the designed product, the testing of a large number of variants, etc. The main contribution of the paper consists of the development of an interface family called DeSeRoI (Dedicated Serial Robot Interface). Each member of the interface family integrates Simulink libraries and is created by the programmer in accordance with user requests. It follows that the interfaces composing the DeSeRoI family can have different levels of complexity depending on user needs and constraints. We are implementing a MATLAB-based application with user-provided configuration for serial robots in order to automatically visualize the kinematics data and simulation. Within MATLAB, two scripts are created responsible for generating Simulink models that compute the kinematics problem. One of the scripts (Main) saves information about the configuration of the robot and the other one (Generates_Simulink_Models) computes the kinematics problem. Different types of functions (software module) have been developed. Using these functions, the Simulink models result as modular entities. The automated approach eases user’s interaction and understanding of serial robots’ kinematics by performing the simulation procedure in a shorter amount of time and with higher efficiency, assuring a precise outcome despite the chosen parameters.

Potential permanent magnet (Fe0.7Co0.3)2B has large saturation magnetization and high Curie temperature but a moderate magnetocrystalline anisotropy (MCA) and displays relatively low coercivity. One way to improve coercivity is to combine the contribution from magnetocrystalline- and magnetic shape anisotropy by preparing (Fe0.7Co0.3)2B nanowires. We study the effect of size, morphology, and surface defect on the hard magnetic properties of nanowires using micromagnetic simulation. The hard magnetic properties of (Fe0.7Co0.3)2B nanowire bonded magnet have been estimated, including the role of inter-wire magnetostatic interaction. By considering the existence of local reduction of MCA energy up to 30% on the surface layer of nanowires, the anisotropic bonded magnet with 65% vol. of (Fe0.7Co0.3)2B nanowires displays typical magnetic properties of remanence Br=8.4 kG, coercivity Hci=9.9 kOe, and maximum energy product (BH)m=17.8 MGOe. Developing effective technology for synthesizing nanowires and fabricating corresponding bonded magnets is promising for manufacturing practical magnets based on magnetic phase with relatively low or moderate MCA, such as (Fe0.7Co0.3)2B.

The studied solar pot is a recent invention, which gained a utility model protection in 2021 from the Hungarian Intellectual Property Office under patent number 5489. The device is made for environmentally friendly cooking or heating (by utilizing solar energy) of foods and liquids. Its structure is similar to a double pipe heat exchanger, it has an outer mantle and an inner cooking tank. The goals of the paper are proposing a new physically-based mathematical model describing the solar pot and carrying out computer experiments with it, assembling an experimental system of the pot connected with a solar collector and performing measurements on it. Based on the results, the solar pot can successfully be used for cooking or sterilizing foods or liquids during the studied time period, in Hungary.

COVID-19 infection is extremely dangerous for persons with comorbidities such as kidney disease and diabetes. Although many people of all ages and socioeconomic backgrounds have suffered due to this pandemic, those with underlying medical conditions like kidney disease and diabetes are more vulnerable to becoming infected with COVID-19 related to weak immunity. However, the role of vaccination in the co-infection of COVID-19 with diabetics is not available in the literature. Therefore, we examine the unique challenges presented by the co-infection of COVID-19 in individuals with diabetes, focusing on its disease transmission dynamics. A mathematical modelling technique is to be employed in this work to analyse the dynamics of COVID-19 outbreaks with seven compartments, including vaccination with comorbidities such as diabetes. We also investigated analytically by displaying the solutions' existence, boundedness, positivity and sensitivity. After calculating the basic reproduction numbers, the stability analysis of model equilibrium points is also covered. If the reproduction numbers are less than unity, the disease-free equilibrium points of the model appear to be both locally and globally stable. The findings of this study are that as the vaccination rate rises, the incidence of COVID-19 and its co-infections with diabetes decreases. Effective disease treatment strategies may be based partly on the possible impact of vaccination on the co-infection of COVID-19 related to diabetic disease insights.

Existing methods for simulating missile dynamics and training often rely on three degrees of freedom (3DOF) motions, limiting their ability to represent the complex maneuvers and targeting strategies of modern missiles. This paper proposes integrating virtual reality (VR) technology with six degrees of freedom (6DOF) dynamics to enhance the accuracy and efficiency of missile simulation and training. By incorporating 6DOF dynamics, simulations can capture the full range of missile motion, providing a comprehensive understanding of their capabilities and limitations. Through VR, users can immerse themselves in realistic missile scenarios, interact with dynamic behaviors in real-time, and refine their targeting and interception skills. The integration of VR with 6DOF dynamics also facilitates real-time feedback and evaluation, enhancing training efficiency and proficiency in missile operations. This approach aims to revolutionize missile training by bridging the gap between traditional simulation methods and real-world dynamics.

It is well-known that simulation tools are essential for the design and optimization of wireless communication systems. In this paper proposes a python script that can be used for planning and predicting a connection link budget by analyzing its basic parameters. Our proposal consists of an application that calculates the connection budget for point-to-point links operating at 5 GHz, taking into account all the necessary microwave parameters. For validating the efficiency of the proposed tool, the paper presents comprehensive simulation results derived from comparing our tool to a couple of other simulation tools by means of calculating the same parameters.

Dielectric barrier discharge (DBD) plasma has several applications in different fields. One of these fundamental applications is medical usages, where various methods are employed to improve the plasma treatment process. The combination of different gases is one of the important strategies to improve the performance of plasma in treatment. In this paper, the optimized plasma parameters for one-dimensional radiofrequency discharge produced at low pressures in a helium gas combination is studied. In this research, the optimal combination of H₂O and He is identified to attain the highest amount of reactive oxygen species (ROS). Considered mixture are 5,10,15 and 20 precent of H₂O for one dimensional helium gas discharge. The results show that the parameters of the output plasma are highly dependent on the composition of the input gases. It is found that the greatest concentrations of H+, He+, Hes (excited helium), and OH/ densities are observed when the H₂O percentage is 10%. Moreover, the density distributions of various species and the temperatures of electrons are numerically calculated during the electrical discharge process. These findings provide useful knowledge on how to optimize plasma parameters for biomedical applications, which may lead to improved treatment results in several therapeutic areas.

This study presents a computational simulation to explore the distinctive patterns of neural connectivity in Autism Spectrum Disorder (ASD), focusing on the concepts of spatial and topological proximities. ASD is characterized by unique cognitive and behavioral profiles, often attributed to atypical neural development and connectivity. Our simulation employs a two-pronged approach: first, by modeling spatial proximity through the generation of clustered 3D node positions, we mimic the observed over-connectivity in localized brain regions in ASD. Second, we construct a topological network to represent the complex interplay of under-connectivity and over-connectivity in functional brain networks, a hallmark of ASD's neural landscape. The spatial model demonstrates pronounced clustering, reflecting the structural brain differences and atypical growth patterns reported in neuroimaging studies of individuals with ASD. In contrast, the topological model reveals a network with a mix of sparse and dense connections, simulating the diverse and often contradictory findings of functional connectivity in ASD, such as reduced long-range connections and increased local connections. Our simulation provides a visual and conceptual framework for understanding the altered neural connectivity in ASD. It underscores the importance of considering both physical (spatial) and functional (topological) aspects of brain connectivity to grasp the full extent of neurodevelopmental deviations in ASD. This approach not only aids in elucidating the neural underpinnings of ASD's core symptoms but also offers a foundation for developing targeted interventions. Future research, integrating more complex and individual-specific data, could further refine this model, enhancing our understanding of ASD's neural dynamics and contributing to personalized therapeutic strategies.

Our study essentially concerns the dynamic behavior of an SIRS epidemic model in discrete time. Two equilibrium points are obtained; one is disease-free while the other is endemic. We are interested in the endemic fixed point as well as its asymptotic stability. Depending on the parameters which are estimated using the data from US Department of health and SIRS modelling with optimization, two Flip and Transcritical bifurcations appear. We illustrate their diagrams, as well as their bifurcation curves using the method of Carcasses \cite{carcasses1993determination,carcasses1995singularities} for the Flip bifurcation and by an implicit function deduced from such an equation for the Transcritical bifurcation. We use the scanning of the parametric plane to have a global view of the behavior of the model and to highlight the zones of stability of the existing singularities. A superposition of the bifurcation curves with the parametric plane can show the overlap of the curves with the boundaries of the stability domains, which confirms the smooth running of the simulation and its correspondence with the theory, we finish this article with constrained optimal control applied to infection rate and recruitment rate for an SIRS discrete epidemic model. Pontryagin's maximum principle is used to determine these optimal controls. Finally using COVID-19 data in the USA, we obtain results that demonstrate the effectiveness of the proposed control strategy to mitigate the spread of the pandemic.

Wood is poised to become a material of choice for future construction. When appropriately managed, it is a renewable material with unique mechanical properties. Beyond its inherent sustainability, the use of wood has a crucial role in addressing climate change concerns due a significantly lower energy consumption and emissions during manufacturing and transportation, while simultaneously acting as a carbon sink. Thus, there has been a growing demand for hardwoods for structural applications, including Castanea sativa Mill., the focal point of this investigation. Albeit in a limited capacity, Eurocode 5-2 offers friction coefficients for softwoods, but it falls short for hardwoods which it is a gap to bridge with this research. These coefficients play a critical role in numerical simulations involving friction, enabling the optimization of joints and, by extension, the overall structural integrity. Test samples were evaluated at 18% moisture content, which is typical of Service Class 2, for various orientations of timber-to-timber and timber-to-steel friction. Considering previous friction coefficients at 12% moisture content, the linear variation was evaluated at an intermediate value of 15%. The results provide an experimental database for numerical simulations and highlight the influence of moisture content on the coefficients, which increase linearly along moisture percentages.

The analysis and simulation of water quality in distribution networks is a complex issue of great concern today. The analysis of the evolution of water age, as a simple indicator of water quality in the network, is of great interest in both design and operation phases. Understanding the factors that have the strongest influence on water quality is key to developing adequate strategies aimed at preserving it. This paper firstly analyses the factors with biggest influence in the tanks water age, to support the selection of the most appropriate configuration from the point of view of water quality during design phases. Then, the main considerations when modelling tanks following the different mixing models considered in Epanet have been presented. Also, a real tank behaviour has been characterised through field measurements and Epanet simulations in order to determine the best fitted mixing model.

This paper concentrates on computing the efficiency of heliostat field systems. By conducting a comprehensive analysis of the mathematical model for optical efficiency, we have effectively simplified the complex three-dimensional illumination problem of heliostat fields into a two-dimensional issue. Our work primarily investigates the calculation methods for the average optical efficiency and output power of heliostat. Traditionally, calculating shadow and blocking efficiency, key factors affecting the optical performance of mirror fields, has posed a significant technical challenge. Through innovative improvements to the Monte Carlo simulation technique, this study has successfully reduced the spatial dimensionality of the problem. We employed a series of novel coordinate transformations to simulate light tracing on a two-dimensional plane, thereby efficiently calculating the efficiency of shadows and obstructions. Not only have we solved the computational challenges of shadow and obstruction efficiency, but our unique algorithm design also allows us to precisely obtain the overall average optical efficiency of the heliostat field while enhancing computational efficiency.

This study investigates the impact of specimen size on the mechanical properties of wood, specifically focusing on compression strength, elastic modulus, and Poisson's ratio. Compression tests were conducted using three different specimen sizes (20mm×20mm×30mm, 40mm×40mm×60mm, 60mm×90mm×90mm) in the longitudinal, radial, and tangential directions. Mechanical parameters, failure mechanisms, load-displacement curves, and stress-strain relationships were systematically analyzed for each size. The study also evaluated the influence of specimen size on the accuracy of finite element numerical simulations by utilizing the obtained mechanical parameters. The results reveal a significant correlation between compressive strength and specimen size, indicating a decrease in compressive strength with increasing specimen size. Conversely, elastic modulus and Poisson's ratio exhibit less sensitivity to variations in specimen size. Notably, parameters derived from small-sized specimens (20mm×20mm×30mm) exhibited substantial errors, while those obtained from medium-sized (40mm×40mm×60mm) and large-sized specimens (60mm×90mm×90mm) demonstrated greater reliability, providing precise results in finite element numerical simulations.

Frontal Polymerization (FP) is recognized as a polymer synthesis method capable of generating a highly localized and self-propagating exothermic front, considered a more rapid and energy-efficient manufacturing scheme for polymer-based fiber-reinforced composite materials. This study conducts a numerical investigation based on the Finite Element Method into the initiation and propagation of frontal polymerization of acrylamide. Utilizing Differential Scanning Calorimetry (DSC) experiments, the study phenomenologically tests the curing kinetics reactions of acrylamide (AM) in deep eutectic solvent (DES)-based polymerizable systems, thereby establishing a curing kinetics model for the autocatalytic reaction of polyacrylamide. By coupling the heat conduction diffusion equation of the frontal polymerization reaction, the Finite Element Method is employed to solve the reaction-diffusion model, aiming to explore the evolution of temperature and degree of curing during the manufacturing process. The results demonstrate the reliability and accuracy of the nth-order autocatalytic model in the study of curing kinetics for DES-based synthesis, indicating that the front propagation speed of the AM-based FP reaction is influenced by the activation temperature, duration of activation temperature, and initial temperature of the solution. Experimental validation of the polyacrylamide manufacturing through frontal polymerization corroborates the accuracy and reliability of the model predictions, providing a reference for the numerical model study and temperature control in the synthesis of acrylamide composite hydrogels via FP.

The production of high-quality castings without foundry defects at minimal production costs is a constant priority for foundries. Innovation and optimization of production processes are key to achieving this goal. Computer simulation of foundry processes offers a modern alternative to expensive and time-consuming experiments in real foundries and provides a reliable representation and analysis of casting and solidification processes. A detailed analysis of the casting and solidification simulation results allows the prediction of various risks that can cause defects in cast castings, thereby reducing their quality and, last but not least, the cost of their production. The paper deals with the analysis of a computer simulation of the casting of a brake disc in the Slovak foundry. This brake disc has had shrinkages and micro shrinkages that reduce the internal quality of the casting. These defects occurred in the ribs in the upper part of the casting under the feeders. A computer simulation of the casting and solidification of this casting was made according to real conditions. It turned out that the designed ingate system with a system of feeders was not sufficient to eliminate emerging defects. A new layout of the feeders was proposed, which ultimately eliminated the occurrence of defects based on the results of computer simulation. The input parameters were set to be as close as possible to the actual needs of the foundry. 3D models of the assemblies were designed in SolidWorks CAD software, and filling and solidification simulations were performed using the NovaFlow & Solid CV 4.6r42 simulation program.

A review of the published quantitative risk assessment (QRA) models of L. monocytogenes in seafood was performed, with the objective of appraising the effectiveness of the control strategies placed along the food chain. Whereas all the 13 QRA models retrieved were of short scope, covering at most from end of processing to consumption; the majority (85%) focused on smoked or gravad fish. Since the modelled pathways commenced with the packaged product, none of the QRA models addressed cross-contamination events. Many models agreed on the fact that keeping the product’s temperature at 4.0-4.5 ºC leads to greater reductions in the final risk of listeriosis than reducing the shelf life by one week; and that the effectiveness of both measures can be surpassed by reducing the initial occurrence of L. monocytogenes in the product (at the end of processing). It is therefore necessary that future QRA models for RTE seafood contains a processing module that can provide insight into intervention strategies that can retard L. monocytogenes growth, such as the use of bacteriocins, ad-hoc starter cultures and/or organic acids, and other strategies seeking to reduce cross-contamination at the facilities, such as stringent controls for sanitation procedures. Since risk estimates were shown to be moderately driven by growth kinetic parameters, namely, the exponential growth rate, the minimum temperature for growth, and the maximum population density, further work is needed to reduce uncertainties about them.

: Suicide is a serious public health problem, with a global mortality rate of 1.4% of all deaths worldwide, and the leading cause of unnatural death in Spain. The use of clinical simulation has proven to be a beneficial tool in the training of nursing students. Such experiences allow them to develop cognitive and affective skills that are fundamental for the detection of warning signs and use of interventions in cases of people who want to take their own lives. Working in a mental health environment can be difficult for nursing students; therefore, the purpose of this study was to explore the perceptions of nursing students on the approach, management and intervention of suicidal crisis through clinical mental health simulation. Methods: qualitative descriptive phenomenological study through focus groups and reflective narratives in a sample of 45 students. A thematic analysis was performed using ATLAS-ti. Results: After the analysis, three themes were obtained: (a) management and handling of emotions (b) identification of suicide motives (c) intervention in suicidal crisis. Discussion: Clinical simulation in mental health allows students to exercise clinical judgment reasoning, detect warning signs for a better treatment approach, and provide tools for effective intervention and management of patient care. The results of this study indicate that nursing students face challenges in approaching mental health clinical simulation due to lack of prior exposure.

The World Health Organization (WHO) documents malaria as one of the leading causes of high morbidity and mortality worldwide. The disease affects millions and kills thousands of people annually. Efforts to reduce the global burden of malaria have prompted WHO to recommend prevention strategies like using anti-malarial drugs. However, these strategies have been ineffective because of anti-malarial drug resistance. The only efficacious malaria treatment is Artemisinin-based Combination Therapy (ACT). However, the extended ACTs clearance times, linked to the emergence of artemisinin monotherapy resistance recorded most recently in Africa and the Great Mekong region, pose a danger to its efficacy. Therefore, better efficacious malaria drugs are required. Since P. falciparum heat shock protein 90 (PfHsp90) is a well-characterized malaria drugs target, this study uses it to discover more efficacious malaria drugs. An in-silico approach was used to discover PfHsp90 inhibitors with pharmacological properties against Plasmodium malaria using molecular dynamics simulation (MDS) and hierarchical virtual screening. Geldanamycin (GDM), a well-known anti-PfHsp90 compound, was used to identify PfHsp90 inhibitors with pharmacological properties against Plasmodium malaria by screening it against the ZINC database via the ZINCPHARMER web server. This virtual screening process resulted in 17 hits. These ZINCPHARMER hits were subjected to drug-likeness and pharmacokinetics properties analysis in the SwissADME web server, and 9 of them satisfied the requirements. The 9 ZINC compounds were docked with PfHsp90 using the PyRx software to understand their interactions. From the molecular docking results, ZINC09060002 (-8.2 kcal/mol), ZINC72133064 (-7.8 kcal/mol), ZINC72163401 (-7.7 kcal/mol), ZINC72358537 (-8.1 kcal/mol), and ZINC72358557 (-7.6 kcal/mol) had better binding affinities to PfHsp90 than GDM (-7.5 kcal/mol). The stability of these molecularly docked protein-inhibitor complexes was assessed through MDS using GROMACS 2022. ZINC72163401, ZINC72358537, and ZINC72358557 formed stable complexes with PfHsp90. The lead compounds were subjected to in vitro validation for their inhibitory capability. They showed promising inhibition of parasite growth with IC50 values ranging between 200 – 400 ng/ml. In this regard, the three PfHsp90 inhibitors can be used as anti-malarial drugs. However, further structural optimization studies and clinical (in vivo) tests are necessary to ascertain the antimalarial activity of these compounds in humans.

A problem of efficacy of crystal growth methods for crystallization from solution or melt has been investigated. Axial vibrational control (AVC) technique was considered as a perspective method to manage both heat-mass transfer and chemical component composition of the melts in the case of crystallization of complex chemical compounds. Numerical modeling and the search for generalized dependencies made it possible to predict the AVC parameters that provide optimal heat and mass transfer modes for creating flat liquid-solid interfaces, as well as the component composition of dissociated melts of various chemical compounds – Ge, NaNO3, CdTe.

The aim of this study is to present a method for developing fragility curves for soil liquefaction that are consistent with the seismic hazard using Monte Carlo simulation. This method can account for all the uncertainties and variabilities of the input parameters. The seismic parameters of earthquake magnitude (M) and the associated peak ground acceleration (PGA) are considered together for the liquefaction assessment. The liquefaction potential and damages obtained by this method are more realistic. A case study is performed using data from a sand-boil site in Yuanlin, Changhua county, where liquefaction occurred during the Chi-Chi earthquake in Taiwan in 1999. The results show that the liquefaction potential index, IL, the post-liquefaction settlement, St, and the liquefaction probability index, PW, are all suitable parameters for evaluating the liquefaction damages. The fragility curves for soil liquefaction developed by this method can support the performance-based earthquake engineering (PBEE) approach, provide guidance for liquefaction evaluation to the ‘Taiwan Earthquake Loss Estimation System’-TELES, and serve as a basis for scenario simulation and an earthquake early warning system for liquefaction damages.

The problem of intensification of melt crystal growth process has been analyzed using CdTe as an actual material. Numerical simulation of 100 mm diameter CdTe crystal growth by VGF technique has been carried out. The heat-mass transfer was controlled by introducing of low-frequency oscillating baffle into the melt, so called axial vibrational control (AVC) technique. The baffle configuration has been optimized to destroy solid «tails», which were formed near the crucible walls at high cooling rates due to the low thermoconductivity and the corresponding latent heat. Analysis of CdTe homogeneity range showed that during fast crystal cooling Te micro precipitations were formed resulting from decay of oversaturated Cd-riched nonstoichiometric solid solution at Bridgman crystal growth technique. A VGF grown CdTe crystal after full crystallization stays inside the phase field of the high temperature wurtzite polymorph. This makes it possible to go through the polymorph transition without Te micro-precipitating using the advantages of VGF specific feature of very slow cooling.

The accuracy of star position simulation is the key factor affecting the accuracy of ground calibration test of spacecraft attitude measurement system. To solve the impact of nonimaging polarized stray light on the simulation accuracy of star position in the optical engine of the system, the generation mechanism of non-imaging polarized stray light has been investigated, and an optimization method for polarization balance of the optical engine is proposed. The mathematical model of the incident light aperture angle and the ideal polarization parameter of the optical engine thin film is established, and the optimization evaluation function of polarization balance of the optical engine is constructed. An optical engine polarization balance film with the corresponding full-band binomial attenuation is <0.001 and the phase delay is <1°. Experimental results show that the simulation accuracy of the weak starlight simulation system is improved by 1.64 times using polarization balanced optical engine.

It is a critical issue to allocate redundancy to critical smart grid infrastructure for disaster recovery planning. In this study, we present a framework to combine statistical prediction methods and optimization models for the optimal redundancy allocation problem. First, we develop statistical simulation methods to identify critical nodes of very large-scale smart grid infrastructure based on the topological features of embedding networks, and then present a linear integer programming model based on generalized assignment problem (GAP) for redundancy allocation of critical nodes in smart grid infrastructure. The model is specifically implemented in the context of smart grid infrastructure. The findings demonstrate that the combined approach of statistical simulation and optimization effectively addresses the size limitations inherent in a sole optimization approach. Notably, the optimal solutions for redundancy allocation in very large grid systems highlight that the cost of redundancy is only a fraction of the economic losses incurred due to weather-related outages.

In this paper, four lithological parameters, i.e. thermal conductivity, particle size, porosity and saturation, are investigated by combining experimental observations with numerical simulations to study the influence laws and mechanisms of action on the combustion process of methane hydrate sediments. The variation of combustion characteristics parameters such as flame height, effective combustion ratio and dimensionless discharge water mass with the lithological parameters are studied. In addition, the combustion mechanism of lithologic parameters on methane hydrate deposits is revealed. Combining the experimental results and simulation calculations, to optimize the combustion of methane hydrate sediments, it is recommended to use methane hydrate sediment samples with high saturation and low thermal conductivity, while the oxidant concentration and porosity of methane hydrate sediment samples should be increased.

The pneumatic muscle is an actuator well known for its inherited compliance. In the last years, there have been a lot of applications of these actuators, mainly oriented toward medical devices. However, there are few papers that use muscle as a model associated with mechanical structures. These actuators are difficult to control because their stiffness depends on the applied pressure, determining a non-linear behavior. This article presents a model, created in Matlab, considering the muscle as a kinematic structure. The model is simulated as an individual structure and a PID controller is applied to test the response. Then, these results are validated by experimental tests done in the laboratory on different types of muscles. Comparison results validate the accuracy of the model.

Road collisions are among the world’s critical issues causing many casualties, deaths, and economic losses. To deal with this scenario, precise analysis is required. In this paper, we use Machine Learning (ML) techniques to assess and predict road traffic collisions. An ensemble machine learning model with two layers was developed to analyze simulation data from the driving simulator. The first (base) layer integrates supervised learning techniques namely, k- Nearest Neighbors (k-NN) AdaBoost, Naive Bayes (NB), and Decision Trees (DT). The second layer predicts road collisions by combining the base layer outputs by employing the stacking ensemble method using logistic regression as a meta-classifier. The data for this study were imbalanced; therefore, we performed a SMOTE resampling strategy to handle the dataset imbalance. To simplify the model, the PSO algorithm was used to select the most important features in our dataset. The two-layer ensemble model proposed had the best outcomes with an accuracy of 88%, F1 score of 83%, and an AUC of 86% as compared with k-NN, DT, NB, and AdaBoost.

In this study, we present different methods of estimating fuzzy reliability of a two-parameter Rayleigh distribution via the maximum likelihood estimator, median first-order statistics estimator, quartile estimator, L-moment estimator, and mixed Thompson-type estimator. The mean-square error MSE as a measurement for comparing the considered methods using simulation through different values for the parameters and unalike sample sizes is used. The results of simulation show that the fuzziness values are better than the real values for all sample sizes, as well as the fuzzy reliability at the estimation of the Maximum

Commonly, professors, students and researchers from universities around the world use software distributed under a license agreement for computer simulation purposes, which requires a computer with considerable hardware capabilities. Consequently, this implies a high cost to conduct simulations that require implementing numerical methods in all areas of engineering, particularly in the field of robotics and nonlinear control. This paper presents the design and results analysis of a low-cost and open-source frugal computer simulation tool with applications to robotic nonlinear control, for instance, for numerical simulations of manipulator robot control based on dynamic models. Using a single board minicomputer with with reduced computing power, Raspberry Pi, together with free software, GNU-Octave, trajectory tracking control simulations in the joint space of a Selective Conformal Assembly Robot Arm (SCARA) are achieved by solving a system of nonlinear differential equations, represented in matrix form, which includes the control law and the system model. The results of the proposed alternative are compared by running the same simulation code on a laptop computer using MATLAB and GNU Octave, which show minimal deviations and reasonable time complexity. Moreover, considering the frugality curve calculated for this approach, in addition to the low acquisition cost of the simulation software tool, it would allow the creation of a simulation laboratory in some universities with budgetary constraints for educational and research purposes.

Estimating peak flow for a catchment is commonly undertaken using the design event method, however this method does not allow for the understanding of uncertainty in the result. This research first presents a simplified method of fragments approach to rainfall disaggregation that ignores the need to consider seasonality, offering a greater diversity in storm patterns within the resulting sub-daily rainfall. By simulating 20 iterations of the disaggregated sub-daily rainfall within a calibrated continuous simulation hydrologic model, we were able to produce multiple long series of stream flow at the outlet of the catchment. With this data, we investigated the use of both the annual maximum and peaks over threshold approaches to flood frequency analysis and found that for a one in 100 year annual exceedance probability peak flow, the peaks over threshold method (333m3/s ±50m3/s) was significantly less uncertain than the annual maximum method (427m3/s ±100m3/s). For the one in 100 year annual exceedance probability, the median peak flow from the peaks over threshold method (333m3/s) produced an outcome comparable to the design event method peak flow (328m3/s), indicating that this research offers an alternative approach to estimating peak flow, with the additional benefit of understanding the uncertainty in the estimation. Finally, the paper highlighted the impact that length and period of streamflow has on peak flow estimation and noted that previous assumptions around the minimum length of gauged streamflow required for flood frequency analysis may not be appropriate in particular catchments.

Acoustic emission (AE) is caused by the sudden release of energy by a material as a result of material degradation related to deformation, crack, or fault within a solid. The same situation also occurs in leaks caused by turbulence in the fluid around the leak. In this study, analytical modeling for AE due to leakage through a circular pinhole in a gas storage cylinder was performed. The displacement fields responsible for AE, excited by the concentrated force (CF) associated with the turbulent flow though the pinhole, were derived by solving the Navier-Lamé equation. The CF as an excitation source was formulated in terms of a fluctuating Reynolds stress (FRS) and spatial Green’s function. In particular, a series of experiments were conducted under different operating conditions to explore the characteristics of the AE signals due to leak in a gas cylinder. Finally, the simulation and experimental results were compared to verify the accuracy of the simulation results.

For deep-penetrating geochemistry, there is a frontier issue as to how to explore ore-bearing information deep in covered areas, while it is, too, important to investigate the geochemical migration of ore-forming elements for the development of exploration geochemistry. In this study, a 380-day migration column experiment was conducted with surface soil and pure Cu powder collected from the Yujiashan study area in Wuhan City, Hubei Province taken as the object of research to simulate the migration process of ore-forming elements under natural conditions. The results showed obvious vertical migration of the ore-forming elements and conversion of mobile metal forms in the process; further, according to 6 groups of simulation experiments that took 45 days to conduct on migration column samples and the surface oil and Cu powder collected from the Pulang mining area in Yunnan Province, the vertical migration of the ore-forming element was still visible, and the exogenous substance (pure Cu powder) could enhance the anomaly without changing the basic migration mechanism. This indicates that Cu might migrate in a stable manner in soil cover in the Pulang mining area, and its migration was mostly driven by the transformation of Fe-Mn oxide bound state and organic bound state; finally, a multifractal analysis was conducted, revealing that the ore-forming elements presented a nonlinear and complex structure during their upward migration, which caused anomalies in the covered area, and multiple parameters exerted a certain indicative effect on different source intensities and properties of soil. In this study, laboratory simulations were performed to summarize the active-state evolution pattern and migration mechanism of ore-forming elements with a view to providing technical support and theoretical guidance for geochemical prospecting in the covered region.

To solve the problem of deformation and stress in segments when a full-face hard rock tunnel boring machine (TBM) tunnel for an urban subway passes through existing buildings, a three-dimensional mechanical calculation model of TBM tunneling under existing buildings was established based on numerical analysis to comprehensively study the spatial attributes of tunnel segments during TBM tunneling. The Qingdao Metro Line 1 TBM tunnel in the hard rock stratum of Xiaobei District passes through existing buildings. The results indicated that (1) the stress and deformation of the segments were different at different positions. The horizontal and vertical stress and displacement of the segments in front of the building were significantly affected by the building. When the segment was not in the area below the horizontal plane of the building, the vertical stress of the segment was significantly greater than the two stresses in the horizontal direction. (2) The vertical displacements of the vault and the arch bottom were the largest, and the influence of vertical accessories was stronger when the segment was closer to the building.(3) When the tunnel was excavated to approximately one tunnel diameter in front of the building, the building was affected. If the surrounding rock is unstable, the excavation face may collapse and the ground surface may sink, possibly leading to inclination, cracking, and uneven settlement of the building.

Wind energy is a rapidly expanding renewable energy technique. Wind farm developers need to understand the interaction between wind farms and the atmospheric flow over complex terrain. Large-eddy simulations provide valuable data for gaining further insight into the impact of rough topography on wind-farm performance. In this research, we investigate the influence of spatial heterogeneity on wind turbine performance. We conducted numerical simulations of a 12×5 wind-turbine array on various rough topographies. First, we evaluated our LES method through mesh convergence analysis, using mean vertical profiles, vertical friction velocity, and resolved and subgrid-scale kinetic energy. Next, we analyze the effects of surface roughness and dispersive stresses on the performance of fully developed large wind farms. Our results demonstrate that the ground roughness element’s flow resistance boosts large wind-farm power production by almost 68% in fully aerodynamic rough surface compared to flat terrain. Dispersive stress analysis revealed that the primary degree of spatial heterogeneity in the wind farm is in the streamwise direction, which is the “wake-occupied” region, and the relative contribution of dispersive shear stress is almost 45% to the overall drag. We also observed that the power performance of the wind farm in complex terrain outperforms the drag. Our study has implications for improving the design of wind turbines and wind farms in complex terrain to increase their efficiency and energy output.

High-fidelity patient simulation (HFPS) is widely used in professional training to enhance students’ competence in clinical management. Problem-solving (PS) and clinical reasoning (CR) skills are essential to developing students in professional competence in safe and effective care. These two skills should be initiated at the early training. However, little is known about the effects of HFPS on developing PS and CR skills in first year undergraduate students. Therefore, this pre- and post-experimental study aimed to investigate the effects of HFPS on development of PS and CR skills in first-year nursing students. The students were required to go through four sessions, preparation, pre-briefing and orientation, simulation role-playing, and debriefing, for the HFPS. The study utilized the Problem-Solving Inventory (PSI) and the Nurses Clinical Reasoning Scale (NCRS) to measure problem-solving and clinical reasoning abilities before and after HFPS. Bivariate analysis, one-sample t-test, and independent t-test were performed to evaluate the performance of the PS and CR skills at the two study periods. One hundred eighty-nine students were recruited, with a mean age of 20.56 years, and 73% were female students. The analytic results showed that the PSI, particularly in domains of Problem-Solving Confidence (PSC) (p&lt;0.001) and overall PS (p&lt;0.001), and the CR (p&lt;0.001) had significant improvement after HFPS. The study concluded that HFPS is an effective innovative method to significantly improve students’ problem-solving and clinical reasoning abilities. Nurse educators play an important role in providing explicit learning instructions in a simulation guideline that directs and guides students to learn at each stage of HFPS. Students should take more initiative and engage in their learning through HFPS to enhance their competence in knowledge and higher intellectual skills for personal and professional developments.

The quantile estimation of extreme wind speed is needed in various environmental fields such as climatology, design of structures, renewable energy sources and agricultural operations. These calculations are crucial for the coding of wind speed. In this study, the required wind speed series of 16 stations in Khyber Pakhtunkhwa, Pakistan, was obtained from the NASA official website and measured in meters per second (m/s) at a 10-meter distance. A Regional Frequency Analysis of 16 AMWS stations was performed using L-moments. The quantile estimates of extreme wind speed are needed for various areas of interest using Regional Frequency Analysis (RFA) and extreme value theory. These calculations are crucial for the coding of wind speed. The data was taken from the NASA official website at a 10-meter distance and measured in meter per second (m/s). A Regional Frequency Analysis of AMWS using L-moments is performed utilizing wind speed data from sixteen sites (16) in Pakistan's Khyber Pakhtunkhwa province. There are no sites that are found to be discordant. The wards method is used to construct a homogenous region and make two homogenous regions from 16 sites. The heterogeneity test justifies that both clusters are homogeneous. The most appropriate probability distribution from the Generalized Normal (GNO), Generalized Logistic (GLO), Pearson Type-3 (P3), Generalized Pareto (GPA), and Generalized Extreme Value (GEV) distributions are chosen to calculate regional quantiles. According to the L-moments diagram and Z statistics, GEV for Cluster- Ι and GLO for Cluster- ΙΙ are the best suggestions from the others. Both clusters’ robustness is measured utilizing Relative Bias (RB) and Relative Root Mean Square Error (RRMSE). Overall, GEV distribution is fit for cluster-Ι, and the GLO distribution is fit for cluster-ΙΙ. Utilizing the site mean and median as index parameters, we can also find at-site quantiles from regional quantiles. The study’s quantile estimates can be employed in codified structural designs with policy consequences.

Ditching-rotary tiller was widely used in tillage and ditching furrow during rapeseed sowing. As its ditching furrow system (consist of four identical ditching plows) would bear great drag resistance from the soil during operation, the ditching plow was optimized based on differential geometry analysis and EDEM simulation. Resistance-velocity simulation indicated the plow with parabolic type guide curve had better reduce-drag characteristics. Differential geometry analysis indicated decay rate of E and growth rate of G could represent the variable regularity of drag resistance with the increase of velocity. The L value could represent the magnitude of drag resistance. The smaller L value, decay rate of E and growth rate of G, the better drag-reduce characteristics. Quadratic rotation orthogonal combination design shown the optimal structural parameter values were: Δθ=15°, θmin=45°, h=250mm, l=100mm. The minimum average drag resistance was 230.1N. The differential geometry analysis of optimal ditching plow shown |dE/dκ| and |dG/dκ| could obtain minimum value, indicating growth rate of drag resistance for optimal plow was the lowest within the experimental level. Field experiment indicated the operation effect of optimized ditching furrow system could met the requirements of rapeseed sowing. The research provided in-depth theoretical guidance for Drag-reduce design of plow.

The study of energy sources has been an awareness of the modern world due to constraints on the current energy worldwide supply chain. The complexity of the theme as well as the consciousness of finite sources also the need of saving energy has become a priority. Although many papers have moved in this direction there is no record of papers studying the variables in a house heating system, which represents the highest energy consumption in many cold countries. This paper explores the energy-saving theme by studying the main variables present in houses’ heating systems in the winter season in cold countries like Canada, Russia, Norway, Iceland, Finland, etc. By using a novel combination of numerical thermal simulation by COMSOLTM and statistical analysis by MiniTabTM , it was possible to design an efficient thermal distribution in a house with the variables of the system by determining their significance and interaction qualitatively.

This article examines the wavelet transforms and the machine learning methods in accelerating large eddy simulations of turbulent flows. An overarching challenge of large eddy simulations is to accurately represent the cascade of kinetic energy across the cut-off length scale. Taylor hypothesis suggests that the energy cascade occurs through the process of vortex stretching. However, Richardson hypothesis assumes the self-amplification of the strain field and a hierarchical break down of large eddies lead the energy cascade. The large eddy simulations typically employs the self-amplification of the strain in formulating subgrid models. However, several studies also proposed subgrid models based on vortex stretching. The wavelet-based coherent vortex simulation of turbulence directly accounts for vortex stretching in overall forward scatter of energy, while allowing local backscatter. The wavelet-based large eddy simulation adapts the grid to capture the creation of small-scale eddies, while adopting subgrid models based on the self-amplification of strain. The advancement of artificial intelligence in turbulence modelling is currently evolving around accelerating the numerical simulations of turbulent flow. However, there is a clear connection between the application of wavelet transfroms and neural networks for directly solving the Navier-Stokes equation, indicating some potential benefits of wavelet methods over the neural networks.

With the popularization of natural gas and the requirements for environmental protection, the development and utilization of natural gas is particularly important. The status of natural gas in China's oil and gas exploration and development is constantly improving, and the country is paying more and more attention to the exploitation and utilization of natural gas. The Upper Paleozoic tight sandstone in the Ordos Basin is characterized by low porosity, low permeability and large area of concealed gas reservoirs. By injecting CO2 into the formation, the recovery of natural gas can be improved, and at the same time, the stable storage of CO2 can be achieved to achieve a win-win situation of CO2 emission reduction and utilization. Injecting greenhouse gas CO2 into gas reservoirs for storage and improving recovery has also become a hot research issue. In order to improve the recovery efficiency of tight sandstone gas reservoir, this paper takes the complex tight sandstone of Upper Paleozoic in Ordos Basin as the research object, through indoor physical simulation experiments, carried out the influence of displacement rate, fracture dip angle, core permeability, core dryness and wetness on CO2 gas displacement efficiency and storage efficiency, and analyzed the influence of different factors on CO2 gas displacement efficiency and storage efficiency to improve the recovery and storage efficiency. The research results show that under different conditions, when the CO2 injection pore volume is less than 1PV, the relationship between the CH4 recovery rate and the CO2 injection pore volume is linear, and the tilt angle is 45 °. When the CO2 injection pore volume exceeds 1PV, the CH4 recovery rate increases slightly with the increase of displacement speed, the recovery rate of CO2 displacement CH4 is between 87% - 97%, and the CO2 breakthrough time is 0.7PV-0.9PV. In low-permeability and low-speed displacement cores, the diffusion of CO2 molecules is more significant. The lower the displacement speed is, the earlier the breakthrough time of CO2 is, and the final recovery of CH4 slightly decreases. Gravity has a great impact on CO2 storage and enhanced recovery. The breakthrough of high injection and low recovery of CO2 is earlier, and the recovery of CH4 is about 3.3% lower than that of low injection and high recovery. The bound water makes the displacement phase CO2 partially dissolved in the formation water, and the CO2 breakthrough lags about 0.1PV. Ultimately, CH4 recovery factor and CO2 storage rate are higher than those of dry core displacement. The research results provide theoretical data support for CO2 injection to improve recovery and storage efficiency in complex tight sandstone gas reservoirs.

The use of carbon nanotubes to improve the mechanical properties of polymers is one of the promising directions in materials science. The addition of single-walled carbon nanotubes (SWCNT) to a polymer results in significant improvement of mechanical, electrical, optical, and structural properties. However, the addition of SWCNTs does not always improve the polymer properties. Also, when a certain content of SWCNTs is exceeded, the mechanical properties of the nanocomposite are getting worse. This article reports the results of computer simulations for predicting the mechanical properties of polymer/single-walled carbon nanotube nanocomposites. The efficiency of reinforcing polymer composites is considered depending on the concentration of carbon nanotubes in the polymer matrix, their size and structure. The elastic moduli of the nanocomposites were predicted using computer simulations for unit cell tension (0.1%). General trends in the mechanical properties of composites with polypropylene, poly (ethyl methacrylate), polystyrene matrices and SWCNTs are shown.

The fluorinated organic compounds have superior physicochemical properties than general organic compounds due to the strong C-F single bond, and widely used in medicine, biology, pesticides, and materials science. In order to gain a deeper understanding of the physicochemical properties of fluorinated organic compounds, fluorinated aromatic compounds have been investigated by various spectroscopic techniques. 2-Fluorobenzonitrile and 3-fluorobenzonitrile are important fine chemical intermediates, and their excited state S1 and cationic ground state D0 vibrational features remain unknown. In this paper, we used two-color resonance two photon ionization (2-color REMPI) and mass analyzed threshold ionization (MATI) spectroscopy to study S1 and D0 states vibrational features of 2-fluorobenzonitrile and 3-fluorobenzonitrile. The precise excitation energy (band origin) and adiabatic ionization energy were determined to be 36028 2 cm-1 and 78650 5 cm-1 for 2-fluorobenzonitrile; and 35989 2 cm-1 and 78873 5 cm-1 for 3-fluorobenzonitrile, respectively. The density functional theory (DFT) at the levels of RB3LYP/aug-cc-pvtz, TD-B3LYP/aug-cc-pvtz, and UB3LYP/aug-cc-pvtz were used to calculate the stable structures and vibrational frequencies for the ground states S0, excited state S1, and cationic ground state D0, respectively. Franck-Condon spectral simulations for transitions of S1 S0 and D0 S1 were performed based on above DFT calculations. The theoretical and experimental results are in good agreement. The observed vibrational features in S1 and D0 states are assigned according to the simulated spectra and the comparison with structurally similar molecules. Several experimental findings and molecular features were discussed in detail.

On the aero-engine combustor liner, a phenomenon of overheating resembling a hot spot exists, accompanied by a preferential peeling of the YSZ thermal barrier coating that will negatively affect the service life of the component. The temperature gradient of the hot spot may affect the YSZ fracture pattern.In this paper, the morphological and property changes of YSZ sintering is investigated experimentally, and a coupled analysis of the YSZ Crack Propagation Mode under the hot spot is performed using ABAQUS. The results show that the pore fractal size D of YSZ increases by 15%. Inside the hot spot region, the coating has a shear stress of 75MPa. By inserting Cohesive units globally in the model to simulate the random crack initiation and propagation, unlike the thinning of YSZ layered peeling caused by uniform superheating, hot spot will cause the crack initiation at the tip of the pores inside the coating and the oblique propagation, eventually forming an oblique crack connection through the pores. When the temperature gradient reaches 30K/mm, the crack propagation is 40% greater than in a uniform temperature field; consequently, the YSZ in the hot spot boundary region with a greater temperature gradient results in more severe bulk peeling.

Wearable thermoelectric generators (w-TEGs) convert thermal energy into electrical energy to realize self-powering of intelligent electronic devices, thus reducing the burden of battery replacement and charging, and improving the usage time and efficiency of electronic devices. Through finite element simulation, this study successfully designed high-performance thermoelectric generator and made it into wearable thermoelectric module by adopting “rigid device - flexible connection” method. It was found that higher convective heat transfer coefficient on cold-end leads to larger effective temperature difference and better power generation performance of device in typical wearable scenario. Meanwhile, at same convective heat transfer coefficient on the cold-end, longer TE leg length leads to larger temperature difference established at both ends of device, larger device output power and open-circuit voltage. However, when the convective heat transfer coefficient increases to a certain level, optimization effect of increasing TE leg length on device power generation performance will gradually diminish. For devices with fixed temperature difference between two ends, longer TE leg length leads to higher resistance of TEG, resulting in lower device output power but slight increase in open-circuit voltage. Finally, sixteen 16×4×2 mm2 TEGs (L=1.38 mm, W=0.6 mm) and two modules were fabricated and tested. At hot end temperature Th=33 ℃ and cold end temperature Tc=30 ℃, the actual maximum output power Pout of TEG is about 0.2 mW, and the actual maximum output power Pout of TEG module is about 1.602 mW, which is highly consistent with the simulated value. This work brings great convenience to research and development of wearable thermoelectric modules and provides new, environmentally friendly and efficient power solution for wearable devices.

Fracture of viscoplastic materials is a complex process due to its time-dependent and plastic responses. Numerical simulation for fracture plays a significant role in crack prediction and failure analysis. In recent years, the phase field model is becoming a competitive approach to predict crack growth and has been extended to inelastic materials such as elasto-plastic, viscoelastic and viscoplastic materials, etc. However, the contribution of inelastic energy to crack growth is seldom studied. For this reason, we implement the phase field model coupled with a viscoplastic constitutive in finite element framework, in which the elastic energy and inelastic energy are used as crack driving energy. The implicit algorithm for a viscoplastic constitutive is presented, this procedure is suitable for other viscoplastic constitutive relations. The strain rate effect, creep effect, stress relaxation effect and cyclic loading responses are tested using a single element model with different inelastic energy contributions; A titanium alloy plate specimen and a stainless-steel plate specimen under tension are studied compared with the experimental observations in existing literature. The results show that the above typical damage phenomenon and fracture process can be well reproduced; The inelastic energy significantly affects the force-displacement responses but has slight effect on the crack paths.

Accurate estimation of vehicle emissions is essential and can be helpful in the decision-making process. Thanks to calculation methods, it is possible to accurately estimate the emissions that result from driving a car and to determine their impact on, for example, the health of pedestrians who are on the pavement near an arterial road. Recent years have seen an increase in the use and importance of emission models, as well as vehicle traffic simulation models. Increasingly, emission models are being combined with traffic simulation models, as it is not practical to actually measure the on-road emissions of an entire fleet of vehicles over a given stretch of road. This paper provides an overview of the selected work on the topic of emission modelling and vehicle traffic simulation models. The models are distinguished according to their respective scales of accuracy, i.e., micro, meso, and macro. Selected work combining emission and traffic simulation models is also presented, as well as development trends in the field. In particular, the paper also highlights the fact of proper calibration of vehicle traffic simulation models in order to obtain the most reliable vehicle emissions results from computational models. The review of the works carried out may be helpful for future projects concerning the use of simulation tools for transport and environmental decision-makers in the area of arterial roads.

In this paper a combined Laplace transform (LT) and boundary element method (BEM) is used to find numerical solutions to problems of anisotropic functionally graded media which are governed by the transient diffusion-convection-reaction equation. First, the variable coefficients governing equation is reduced to a constant coefficients equation. Then, the Laplace-transformed constant coefficients equation is transformed a boundary-only integral equation. Using a BEM, the numerical solutions in the frame of Laplace transform may then be obtained from this integral equation. Then the solutions are inversely transformed numerically using the Stehfest formula. Some problems considered are those of compressible or incompressible flow, and of media which are quadratically, exponentially and trigonometrically graded materials. The results obtained show that the analysis used to transform the variable coefficients equation into the constant coefficients equation is valid, and the mixed LT-BEM is easy to implement for obtaining the numerical solutions. The numerical solutions are verified by showing their accuracy and steady state. For symmetric problems, the symmetry of solutions is also justified. Moreover, the effect of the anisotropy and inhomogeneity of the material on the solutions are also shown, as to suggest that it is important to take the anisotropy and inhomogeneity into account when doing experimental studies.

Breast and Cervical cancer are significant causes of morbidity and mortality among women worldwide. Usually, conventional therapies and early detection has shown success in metastasis and relapse rates and improved overall survival of the patients. The elimination of the efficacy of chemotherapies and target therapies because cancer stem cells create resistance against chemotherapy, metastasis, and relapse. Studies reveal that cancer stem cell markers are important for improving efficiencies of targeted therapies. Our study aims to analyze the stem cell markers and target the most significant stem cell marker by phytochemicals and their derivates. Through the analysis, it was observed that CXCR4 and SOX-2, mir-1, mir-125, and mir-429 may have a crucial role in stemness of breast and cervical cancer respectively, while BPMD & MD simulations revealed Di-valinoyl curcumin as a potential compound for CXCR4 targeting.

Hydrogel microneedles are a promising technology for the delivery of different types of medicines locally and painlessly, as well as ISF extraction. As the hydrogel microneedles are inserted into the tissue, they swell and release drugs. To improve the effectiveness of this technology in delivering medicine at controlled and desirable doses and intervals, a deep understanding of the mechanism of drug delivery inside the microneedles is required. In this work, drug diffusion inside a tapered microneedle is investigated using numerical simulation. The microneedle is divided into many small elements, and the mass transfer equation of meloxicam is solved in each element over time. The skin is simulated as the sink in the microneedle surface for drug absorption. Simulations are performed for different sizes of microneedles. For a microneedle with a height of 500 µm and a base diameter of 250 µm, the drug completely penetrates the skin within 3.2 seconds. The rate of drug diffusion from the tip of the microneedle is higher than diffusion from the side area near the microneedle base. The obtained data demonstrate that in addition to the height and the base diameter, the microneedle’s aspect ratio, h/d, also affects the time of drug diffusion. We present a nonlinear equation to predict the time of complete drug diffusion as a function of the microneedle geometrical parameter, including the height and base diameter. The proposed equation calculates the total drug diffusion time with an error of less than 7% for all studied cases. Predicting drug diffusion patterns inside microneedles can be helpful in the biomedical field, especially in the drug-controlled release system for the optimization of drug delivery.

Dynamic Realistic Failure Process Analysis (DRFPA) is a numerical software based on FEM it is firstly validated by comparing with the experimental test. Such validation is carried out under two consistent concrete specimens under uniaxial compression. After validation, DRFPA is used to study the influence of two parallel pre-existing crack inclination angles on the fracture of concrete under dynamic loads. The evolution of wing cracks and secondary cracks is investigated by observing the initiation, coalescence, and propagation of them. Meanwhile, the relationship between failure mode and inclination angles is discussed via analyzing the acoustic emission events. Finally, it is concluded the relationship between inclination angles of pre-cracks and performance/stability of concrete structure.

Hospital Pulau Pinang is the general hospital in Malaysia which targeting energy savings of 10% within five years from 2015 and other sustainability targets such as 3-star Energy Management Gold Standard and Green Building Certification. The targets are beneficial for the hospital itself to establish the Smart Building Program to improve its energy efficiency concurrent with the green policy of the Ministry of Health Malaysia and Sustainable Development Goals by the United Nations. This paper reviews the background of Hospital Pulau Pinang energy data , energy consumption trending, energy-saving trending, and energy conservation measures taken for the hospital from 2015 to December 2021.The yearly energy consumption baseline taken in 2016 was 27,496,731.00 kWh. It reduced significantly to 21,356,063 kWh in 2021 due to energy conservation measures. As a result, Hospital Pulau Pinang has achieved energy-saving about 16% at approximately RM7.3 million reduction in operational expenditure. The main objective of this paper is to provide further potential energy savings by studying the energy reduction by implementing solar photovoltaics using the simulation method. The simulation method can predict that Hospital Pulau Pinang can achieve another 5,130,000 kWh energy savings annually. This type of simulation has never been done before at a public hospital, and it will give further enhancing strategies to the Smart Building Program itself. Furthermore, the potential of smart building can be maximized to the next level by simulation, which helps the hospital energy committee make the potential decision on the energy-saving investment.

For the numerical simulation of components made of short fiber-reinforced composites the correct prediction of the deformation including the elastic and plastic behavior and its spatial distribution is essential. When using purely deterministic modeling approaches the information of the probabilistic microstructure is not included in the simulation process. One possible approach for the integration of stochastic information is the use of random fields. In this study numerical simulations of tensile test specimens are conducted utilizing a finite deformation elastic-ideal plastic material model. A selection of the material parameters covering the elastic and plastic domain are represented by cross-correlated second-order Gaussian random fields to incorporate the probabilistic nature of the material parameters. To validate the modeling approach tensile tests until failure are carried out experimentally, that confirm the assumption of spatially distributed material behavior in both the elastic and plastic domain. Since the correlation lengths of the random fields cannot be determined by pure analytic treatments, additionally numerical simulations are performed for different values of the correlation length. The numerical simulations endorse the influence of the correlation length on the overall behavior. For a correlation length of 5mm a good conformity with the experimental results is obtained. Therefore, it is concluded, that the presented modeling approach is suitable to predict the elastic and plastic deformation of a set of tensile test specimens made of short fiber-reinforced composite sufficiently.

Emergence of multi drug resistant (MDR) and extensively drug resistant (XDR) Mycobacterium tuberculosis poses a serious threat to TB control as the available treatment options are less effective in these cases. Therefore, new strategies are required for identification of new drugs and drug targets. The M. tuberculosis dihydrodipicolinate synthase is a putative drug target with no potent inhibitor. Here in this study, we have used a comprehensive computational approach to identify small molecule inhibitors and validated them in vitro. As similar structures tend to have similar functions, therefore 3 approaches, namely, (a) known inhibitor-based approach, (b) substrate analogues, (c) product analogues were used for compound screening from various chemical libraries. The fourth approach we have taken is fragment library screening.In vitro studies revealed that β-hydroxypyruvic acid tartronic acid are inhibitors of Mtb-rDapA with maximum inhibition 48% and 51% at 500µM concentrations respectively. We have also observed that β-hydroxypyruvic acid is a time dependent inhibitor of Mtb-rDapA. Further, thermal shift assays showed that β-hydroxypyruvic acid interacts with Mtb-rDapA and the thermal stability of Mtb-rDapA shifted by 3˚C. Among the product analogues of Mtb-DapA, dipicolinic acid showed to bind to Mtb-rDapB shifting thermal stability of Mtb-rDapB by 0.5˚C in binding. Additionally, we have designed a new approach by combining substrate and product analogues to achieve better inhibitions. In vitro assays validated that this combination approach increased maximum inhibition up to 100%. We envision that these compounds would serve as potent leads for tuberculosis drug discovery.

It is well established that the interacting effects of temperature and precipitation will alter agroecological systems on a global scale. These shifts will influence the fitness of specialty crops, specifically strawberries (Fragaria x ananassa), an important crop in the Northeastern United States. In this study, four precipitation scenarios were developed that are representative of current and probable-future growing season precipitation patterns. Using a precipitation simulator, we tested these scenarios on potted day neutral strawberries. This study generated four primary results: (1) though treatments received different amounts of precipitation, little difference was observed in soil volumetric water content or temperature. However, treatments designed to simulate future conditions were more likely those designed to simulate current conditions to have higher nitrate-in-leachate (N-leachate) concentrations; (2) neither total precipitation nor seasonable distribution were associated with foliar or root disease pressure; (3) while there was a slightly higher chance that photosynthetic potential and capacity would be higher in drier conditions, little difference was observed in the effects on chlorophyll concentration, and no water stress was detected in any treatment; and (4) leaf biomass was likely more affected by total rather than seasonal distribution of precipitation, but interaction between changing rainfall distribution and seasonal totals is likely to be an important driver of root biomass development in the future.

As use of composite materials increases, the search for suitable automated processes gains relevance to guarantee production quality by ensuring uniformity of the process, minimizing the amount of generated scrap and reducing time and energy consumption. Limitations on production by traditional means such as hand lay-up, vacuum bagging and in-autoclave methods, tend not to be as efficient when the size and shape complexity of the part being produced increases, motivating the search for alternative processes such as the Automated Tape Laying (ATL). This work aims to describe the process of modelling and simulating a composite ATL with in situ consolidation by characterizing the machine elements, using the finite differences method in conjunction with energy balances, in order to create a digital twin of the process for further control design. The modelling approach implemented is able to follow the process dynamics when changes to the heating element are imposed as well as to predict the composite material temperature response, making it suitable to work as a digital twin of a production process using an ATL machine.

Background Augmented reality (AR) in surgery can offer an enhanced view of reality through the superimposition of computer-generated digital images on the real environment. It allows surgeons to integrate image visualisation, improving operative efficiency, surgical outcomes, surgical training and patient education. This review aims to evaluate the current status of augmented reality in surgery, surgical training and potential future applications. Methods We performed a non-systematic review of available literature from January 2005 to August 2021 by searching PubMed, EMBASE and the Cochrane library using a combination of terms “augmented reality”, “virtual reality”, “surgery”, “simulation” and “training”. Articles considered for this review were identified by relevant search criteria including title, keywords, abstract, and full-text. Conclusions AR technologies present an exciting new trend with multiple potential applications in surgery. Intraoperative AR systems have shown promise in specialties involving fine movement of organs during surgical procedures, including Neurosurgery, Ears, Nose and Throat and Orthopaedic Surgery. AR has also exhibited the potential to enhance surgical training and improve knowledge acquisition; it can foster international collaborations via telesurgery and telepresence. In the near future, AR will likely work in symbiosis with surgeons, serving as a complex computer-human coalition which can improve patient outcomes, patient education and surgical training.

In large eddy simulation (LES) of turbulent flows, the most critical dynamical processes to be considered by dynamic subgrid models to account for an average cascade of kinetic energy from the largest to the smallest scales of the flow is not fully clear. Furthermore, evidence of vortex stretching being the primary mechanism of the cascade is not out of the question. In this article, we study some essential statistical characteristics of vortex stretching and its role in dynamic approaches of modeling subgrid-scale turbulence. We have compared the interaction of subgrid stresses with the filtered quantities among four models using invariants of the velocity gradient tensor. This technique is a single unified approach to studying a wide range of length scales in the turbulent flow. In addition, it also provides a rational basis for the statistical characteristics a subgrid model must serve in physical space to ensure an appropriate cascade of kinetic energy. Results indicate that the stretching mechanism extracts energy from the large-scale straining motion and passes it onto small-scale stretched vortices.

Background: Simulations have historically aided training programs by providing a realistic and holistic replication of professional scenarios and procedures. Simulations have developed over the past 40 years to include varying fidelities and modalities of simulation. Learning in a simulation-centered environment has benefits, ranging from improved patient care to specific skills acquisition while catering to students’ numerous and varied learning approaches. Simulation is a multifaceted field that benefits all parties, the teachers, the learners, and the patients. The application of simulation to medical education and its amalgamation with other modes and substitutes allows for a more integrated learning and testing curriculum that advances the current trajectory of medical education. Such developments, however, are limited to resource rich areas, leaving behind low-middle income countries to use traditional, less evolved methodologies and practices. This review aimed to explore different aspects of simulation and focus specifically on low-cost task trainers and their accessibility. Method: The purpose of the study was to assess the accessibility of low-cost task trainers in terms of cost-effectiveness, distribution, validation, and frequency within specific specialties. To do so, 84 PubMed publications have been screened, and 39 filtered research studies have collected the necessary data. After analyzing the papers, we classified the following information – process, specialization, validation (y/n), costs, development location, and year of publication. Results: After carefully analyzing the accumulated data from the selected 39 publications, we found that most studies (i.e., 6 out of 39) were published in 2020. Emergency Medicine was the most common specialty for which low-cost trainers were developed (9 out of 39 procedural simulators); Otolaryngology followed this with 8 out of 39 trainers and general surgery with 7/39 of the task-trainers. The price ranges fluctuated and fell within the price bracket of USD 0 to USD 400 collectively. Our review also uncovered the concentration of development of such innovations solely in high income countries (HICs). Conclusion: Simulation is an invaluable tool applicable to a diverse range of phases of medical education. Future conjunction of simulation with low-cost substitutes along with increased encouragement and enthusiasm towards developing cost effective simulation-based learning environments (SBLEs) with the reserves and requirements of these areas in mind may prove to be a reliable option for low and middle resource settings

Steel is one of the essential materials in the world's civilization. It is essential to produce many products such as pipelines, mechanical elements in machines, vehicles, profiles, and beam sections for buildings in many industries. Until the '50s of the 20th century, steel products required a complex process known as ingot casting; for years, steelmakers focused on developing and simplifying this process. The result was the con-tinuous casting process (CCP); it is the most productive method to produce steel. The CCP allows producing significant volumes of steel sections without interruption and is more productive than the formal ingot casting process. The CCP begins by transferring the liquid steel from the steel-ladle to a tundish. This tundish or vessel distributes the liquid steel, by flowing through its volume, to one or more strands having wa-ter-cooled copper molds. The mold is the primary cooling system, PCS, solidifying a steel shell to withstand a liquid core and its friction forces with the mold wall. Further down the mold, the rolls drive the steel section in the SCS. Here the steel section is cooled, solidifying the remaining liquid core, by sprays placed in every cooling segment all around the billet and along the curved section of the machine. Finally, the steel strand goes towards a horizontal-straight free-spray zone, losing heat by radiation mechanism, where the billet cools down further to total solidification. A moving torch cutting-scissor splits the billet to the desired length at the end of this heat-radiant zone.

Overexpression of BRF2, a selective subunit of RNA polymerase III, has been shown to be crucial in the development of several types of cancers, including breast cancer and lung squamous cell carcinoma . Predominately, BRF2 acts as a central redox-sensing transcription factor (TF) and is involved in rescuing oxidative stress (OS) -induced apoptosis. Here, we showed a novel link between BRF2 and DNA damage response. Due to the lack of BRF2 specific inhibitors, through virtual and molecular dynamics screening, we identified potential drug candidates that interfere with BRF2-TATA-binding Protein (TBP)-DNA complex interactions based on binding energy, intermolecular, and torsional energy parameters. We experimentally tested Bexarotene as a potential BRF2 inhibitor. We found that Bexarotene (Bex) treatment resulted in a dramatic decline in oxidative stress (Tert-butylhydroquinone (tBHQ))-induced levels of BRF2 and consequently, lead to a decrease in cellular proliferation of cancer cells which may in part be due to drug pretreatment induced reduction of ROS generated by the oxidizing agent. Our data thus, provide the first experimental evidence that BRF2 is a novel player in DNA damage response pathway and Bexarotene can be used as a potential inhibitor to treat cancers with the specific elevation of oxidative stress.

Methods based on simulation pedagogy are widely used to practice hands on skills in safety environment. The usability of an EEG-simulator on clinical neurophysiology course was evaluated. Second year biomedical laboratory science students (N=35) on this course was included in the study. They were divided into three groups. Two groups used the EEG simulator with different feedback modes and one group without use of the simulator. Results was expected to reveal a correlation between user experience and learning outcomes. This study made used of a mixed method study design. During the study students were asked to keep a learning diary throughout the course on their experience. Diaries were analyzed qualitatively based on content analyses. Quantitative analyses based on an UX questionnaire that measures classical usability aspects (efficiency, perspicuity, dependability) and user experience aspects (novelty, stimulation) and the students’ feelings to use simulator. The quantitative data was analyzed using SPSSTM software. The quantitative and qualitative analyses showed that the use of EEG-simulator which was evaluating teaching-learning process have an extra benefit in clinical neurophysiology education and students felt that simulator is useful in learning. The simulation debriefing session should be followed by a full theoretical and practical session. Students compare their learning from the simulator with that of the actual placement which fosters the reflective practice of learning again deepening the understanding of the EEG electrode placement and different wave patterns.

The conformational state of the activation loop (A-loop) is pivotal for the activation of most protein kinases. Hence, the characterization of the conformational dynamics of the A-loop is important to increase our understanding of the molecular processes related to diseases and to support the discovery of small molecule kinase inhibitors. Here, we carry out a combination of Molecular Dynamics (MD) and Essential Dynamics (ED) analyses to fully map the effects of phosphorylation, ADP, and conformation disrupting (CD) inhibitors (i.e., CD532 and MLN8054) on the dynamics of the A-loop of Aurora-A. MD revealed that the stability of the A-loop in an open conformation is enhanced by single phospho-Thr-288, while paradoxically, the presence of second phosphorylation at Thr-287 decreases such stability and renders the A-loop more fluctuant in time and space. Moreover, we found that such post-translational modification has a significant effect on the direction of A-loop motions. ED analysis suggests that the presence of the phosphate moiety induces the dynamics of Aurora-A to sample two distinct energy minima, instead of a single large minimum, as in unphosphorylated Aurora-A states. This suggests that the conformational distributions of Aurora-A with both single and double phospho-threonine modifications are remarkably different from the unphosphorylated state. In the closed states, binding of CD532 and MLN8054 inhibitors has the effect of increasing the distance of the N- and C-lobes of the kinase domain of Aurora-A, and the angle analysis between those two lobes during MD simulations showed that the N- and C-lobes are kept more open in presence of CD532, compared to MLN8054. As the A-loop is a common feature of Aurora protein kinases, our studies provide a general description of the conformational dynamics of this structure upon phosphorylation and different ligands binding.

Dynamic simulation of district heating and cooling networks has an increased importance in the transition towards renewable energy sources and lower temperature district heating grids, as both temporal and spatial behavior need to be considered. Even though a lot and research and development has been performed in the field, there are several pitfalls and challenges towards dynamic district heating and cooling simulation for everyday use. This article presents the experiences from working with district heating and cooling projects, along with relevant research, corresponding research gaps and proposed research directions.

This research evaluates the inhibitory effect of L-amino acids (AAs) with different side chain lengths on Fe surface implementing Monte Carlo (MC) simulation. A quantitative and qualitative description of the adsorption behavior of AAs on the iron surface has been carried out. Calculations have shown that the absolute values of the adsorption energy of L-amino acids increase with side chain prolongation; they are also determined by the presence of heteroatoms. AAs from nonpolar and basic groups have the best adsorption ability to the iron surface, which indicates their highest inhibitory efficiency according to the results of MC simulation.

This paper examines the influence of physical parameters on the collapse dynamics of a spherical bubble filled with diatomic gas ($\kappa=7/5$). The present numerical investigation shows that each physical parameter affects the bubble collapse dynamics differently. After comparing the contribution of each physical parameter, it appears that, of all the parameters, the surrounding liquid environment affects the bubble collapse dynamics the most. Meanwhile, surface tension has the weakest influence and can be ignored in the bubble collapse dynamics. However, surface tension must be retained in the initial analysis since this, as well as the pressure difference jointly control initial bubble formation. As an essential part of this study, a general Maple code is provided.

In the process of metal cutting, the anti-wear performance of the tool determines the life of the tool and affects the surface quality of the workpiece. The finite element simulation method can directly show the tool wear state and morphology, but due to the limitations of the simulation time and complex boundary conditions, it has not been commonly used in tool life prediction. Based on this, a tool wear model was established on the platform of a finite element simulation software for the cutting process of titanium alloy TC4 by end milling. The key technique is to embed different types of tool wear models into the finite element model in combination with the consequent development technology. The effectiveness of the tool wear model is validated by comparing the experimental results with the simulation results. At the same time, in order to quickly predict the tool life, an empirical prediction formula of tool wear was established, and the change course of tool wear under time change was obtained.

The models used to estimate disease transmission, susceptibility and severity determine what epidemiology can (and cannot tell) us about COVID-19. These include: ‘model organisms’ chosen for their phylogenetic/aetiological similarities; multivariable statistical models to estimate the strength/direction of (potentially causal) relationships between variables (through ‘causal inference’), and the (past/future) value of unmeasured variables (through ‘classification/prediction’); and a range of modelling techniques to predict beyond the available data (through ‘extrapolation’), compare different hypothetical scenarios (through ‘simulation’), and estimate key features of dynamic processes (through ‘projection’). Each of these models: address different questions using different techniques; involve assumptions that require careful assessment; and are vulnerable to generic and specific biases that can undermine the validity and interpretation of their findings. It is therefore necessary that the models used: can actually address the questions posed; and have been competently applied. In this regard, it is important to stress that extrapolation, simulation and projection cannot offer accurate predictions of future events when the underlying mechanisms (and the contexts involved) are poorly understood and subject to change. Given the importance of understanding such mechanisms/contexts, and the limited opportunity for experimentation during outbreaks of novel diseases, the use of multivariable statistical models to estimate the strength/direction of potentially causal relationships between two variables (and the biases incurred through their misapplication/misinterpretation) warrant particular attention. Such models must be carefully designed to address: ‘selection-collider bias’, ‘unadjusted confounding bias’ and ‘inferential mediator adjustment bias’ – all of which can introduce effects capable of enhancing, masking or reversing the estimated (true) causal relationship between the two variables examined. Selection-collider bias occurs when these two variables independently cause a third (the ‘collider’), and when this collider determines/reflects the basis for selection in the analysis. It is likely to affect all incompletely representative samples, although its effects will be most pronounced wherever selection is constrained (e.g. analyses focusing on infected/hospitalised individuals). Unadjusted confounding bias disrupts the estimated (true) causal relationship between two variables when: these share one (or more) common cause(s); and when the effects of these causes have not been adjusted for in the analyses (e.g. whenever confounders are unknown/unmeasured). Inferentially similar biases can occur when: one (or more) variable(s) (or ‘mediators’) fall on the causal path between the two variables examined (i.e. when such mediators are caused by one of the variables and are causes of the other); and when these mediators are adjusted for in the analysis. Such adjustment is commonplace when: mediators are mistaken for confounders; prediction models are mistakenly repurposed for causal inference; or mediator adjustment is used to estimate direct and indirect causal relationships (in a mistaken attempt at ‘mediation analysis’). These three biases are central to ongoing and unresolved epistemological tensions within epidemiology. All have substantive implications for our understanding of COVID-19, and the future application of artificial intelligence to ‘data-driven’ modelling of similar phenomena. Nonetheless, competently applied and carefully interpreted, multivariable statistical models may yet provide sufficient insight into mechanisms and contexts to permit more accurate projections of future disease outbreaks.

There are ~200.000 households living in the detached houses and ger (yurt) with the small-coal stove which burns a raw coal in the Ulaanbaatar city. The proper heating system and improvement on the energy efficiency of residential dwellings is vital important for Ulaanbaatar city to reduce an air pollution as well as for the operation of current central energy system. This study shows the experimental results of two Gers with two different heating system and different thermal insulation. Technical availability of the system consisting of ETS heater with daytime charging schedule and areal PV system is also examined by using a simulation of MATLAB programming. As a result of the experiment, the indoor comfort level and energy efficiency of the Ger with added insulation and ETS heater with nighttime charging was enhanced to compare with the reference Ger. The Ger with added insulation and ETS heater consumed 3169 kWh for electric appliances and 5989 kWh for the heating season. The simulation was resulted that the ETS heater to be installed in the Ger 2 had prospected to increase the PV self-consumption rate by 76% because of the daytime charging schedule of ETS heater. The PV system supplied 31% of the total energy consumption with remained 69% of the main grid.