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This paper aims to comprehensively explore the pivotal role of simulation and modeling in the field of Artificial Intelligence (AI). It focuses on elucidating the diverse applications of simulation and modeling in training AI systems, optimizing algorithms, and enhancing decision-making processes. To achieve this objective, we conducted an extensive review of the literature from the Scopus database, employing a well-defined selection process. We utilized keywords such as "simulation," "modeling," "Artificial Intelligence," and related terms to identify relevant papers published within the last 10 years. The selection criteria included assessing the relevance, quality, contribution, and recent citations of the papers. After a rigorous screening process, we selected 40 papers with the highest overall scores for inclusion in our review. The selected papers encompass a wide range of domains where simulation and modeling play a vital role in advancing AI applications. These domains include manufacturing, healthcare, energy consumption prediction, public sector decision-making, education, environmental modeling, and more. Our review highlights how AI leverages simulation and modeling to improve predictive accuracy, optimize resource allocation, and enhance decision-making processes across diverse sectors. We also discuss the potential future directions in the integration of simulation and modeling with AI, emphasizing its significance in various fields. [ABSTRACT FROM AUTHOR]

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Response surface methodology (RSM) is employed to reduce air trap in the thin small outline package (TSOP) manufactured via plastic transfer molding by adjusting the process parameter. The study aims to evaluate the key factors and interactions in transfer molding process parameters of integrated chip (IC) encapsulation. A three-level central composite design (CCD) approach–based response surface methodology analysis was applied to statistically specify the effect of important numerical and categorical process variables (i.e., melt and mold surface temperature, curing time, and runner layout) on the key response process output variables of air trap and curing level. By using this rotatable design, a total of 60 simulation data was fitted. The significance of the factors and their interactions were verified by using the analysis of variance (ANOVA) with a 95% confidence level (p < 0.05). The empirical models were computed and thoroughly validated against the simulation results. The optimum process parameters of the TSOP IC package were characterized as follows: melt temperature of 88.09℃, 181.99℃ of mold surface temperature, the 60 s of curing time, and Herringbone type of cavity layout. The results herein could contribute significantly as a reference and further understanding of the optimization process to advancing microelectronic industries. [ABSTRACT FROM AUTHOR]

Since electric power steering has replaced hydraulic power steering in passenger cars, steering feedback has become a challenging task in steering system development. Test benches represent a valid approach for improving steering feedback since they allow investigations without the real vehicle. To improve the applicability of feedback evaluations on a steering test bench, this paper aims to identify improvements in the current evaluation technique to obtain objective parameters that correlate with a subjective evaluation of safety-relevant steering feedback. Therefore, a previously reported approach of a chirp rack force excitation, using the magnitude of the transfer function from the rack force to steering wheel torque to describe steering feedback, is compared to a similar identification approach in which a pseudo-random-binary-sequence signal is utilized. To reflect realistic applications, driving maneuvers are transferred to the test bench to identify relevant objective data. For a valid representation of the steering wheel operation, a human grip model is implemented and compared to a fixed steering wheel angle control. It is shown that the random signal represents a valid and, on average, improved approach to objectively evaluating the steering feedback. Furthermore, a recommendation can be made to include the human grip model in the feedback evaluation tests, as the identified correlation results are improved by its inclusion. The identified parameters and methods represent an improvement for future steering feedback development. [ABSTRACT FROM AUTHOR]

In the past two decades, various research works have been conducted in the field of flexible electronic devices (FEDs). Researchers have focused their efforts on solving the existing challenges in the electronic, electrochemical, and mechanical behaviors of FEDs. The importance of flexible lithium-ion batteries (FLIBs) in the area of FEDs is evident; however, less attention has been paid to the mechanical behavior of FLIBs in comparison with the material and electrochemical characteristics. The present paper reviewed the research works in the FLIBs, focusing on their mechanical integrity and electrochemical performances. First, an introduction to FLIBs was presented, and the previous review papers published in this field were briefly introduced. Then, a detailed review of the available electrochemical and mechanical research works on FLIBs was presented. Moreover, the mechanical testing methods (tensile, compressive, indentation, fatigue, and adhesion) for the characterization of FLIBs' components, the research works on the simulation and modeling of the mechanical behavior of FLIBs, and a summary of the present situation and the future trend of research in this field were reviewed and presented. [ABSTRACT FROM AUTHOR]

Since electric power steering has replaced hydraulic power steering in passenger cars, steering feedback has become a challenging task in steering system development. Test benches represent a valid approach for improving steering feedback since they allow investigations without the real vehicle. To improve the applicability of feedback evaluations on a steering test bench, this paper aims to identify improvements in the current evaluation technique to obtain objective parameters that correlate with a subjective evaluation of safety-relevant steering feedback. Therefore, a previously reported approach of a chirp rack force excitation, using the magnitude of the transfer function from the rack force to steering wheel torque to describe steering feedback, is compared to a similar identification approach in which a pseudo-random-binary-sequence signal is utilized. To reflect realistic applications, driving maneuvers are transferred to the test bench to identify relevant objective data. For a valid representation of the steering wheel operation, a human grip model is implemented and compared to a fixed steering wheel angle control. It is shown that the random signal represents a valid and, on average, improved approach to objectively evaluating the steering feedback. Furthermore, a recommendation can be made to include the human grip model in the feedback evaluation tests, as the identified correlation results are improved by its inclusion. The identified parameters and methods represent an improvement for future steering feedback development.

Stable precipitate takes the essential role for material strengthening in Al–Mg–Si alloys. To reveal how the stable precipitate works in material strengthening, a molecular dynamics model is carried out to show the interaction between the edge dislocations and the plate‐shaped β phase of Mg2Si. The critical resolved shear stress (CRSS) is related to the precipitate characteristics including sizes and thickness directions. The CRSS increases with the increase of the precipitate size. When the thickness direction of precipitate changes from [001] to [100], the CRSS increases from 326.76 to 368.7 MPa. This phenomenon is mainly affected by the interaction length between dislocation and β phase. With the increase of interaction length, the interaction time for dislocation to overcome pinning increases. The critical bending angle of dislocation can be affected by the interaction time and shear strain rate. The relationship between the critical bending angle and the CRSS in Al–Mg–Si alloy is then established. [ABSTRACT FROM AUTHOR]

To scale up Indium phosphide (InP) crystal growth to industrial scale, there is a need to increase the growth rate and crystal length while maintaining high quality. Here, melt-conditioned vertical gradient freeze (MCVGF) is investigated. In this method, a pyrolytic boron nitride (PBN) rotor with special shape rotates inside the melt at a slow speed. It consequently enhances the melt movement and latent heat removal from the crystal front. In this study, a full 3-dimensional model is presented for both original and proposed VGF process including an energy equation, Navier–Stokes equations, moving mesh theory, and thermal stress equations. The growth speed is set to about 7 mm/h. Melt flow, temperature gradient, crystal front, and thermal stress were calculated and compared between these two cases. Crystal growth with acceptable quality is impossible during the original VGF process, but the MCVGF shows very good potential to overcome the limitations. The crystal front is found to be flat with small concavity at high growth rates, which is perfect for crystal growth. The thermal stress was checked for MCVGF: It reduces by 50% in comparison with original process under critical value. The simulation proved that MCVGF is feasible for the crystal growth process and is a perfect method for industrial crystal growers to increase production speed and crystal structural perfection. [ABSTRACT FROM AUTHOR]

A sequentially coupled multi-phase thermo-mechanical model for laser powder bed fusion (LPBF) of Al-based composites reinforced by 1 wt.% random TiB2 micron particles was established. Due to the remarkable difference in thermophysical properties, the maximum thermal stress was predicted at the TiB2/Al matrix interface and formed at the liquid–solid transition stage. Meanwhile, complicated evolution curves of temperature, strain, and strain rate were predicted with the laser moving time during the solidification stage. To evaluate the interface cracking susceptibilities of micron-TiB2/AlSi10Mg composites, the flow stress of the matrix was calculated, instead of ultimate tensile strength, based on the physical constitutive relationship. From the comparison between the calculated flow stress and the simulated Von Mise equivalent stress, it was found that an increase in TiB2 particle size was inclined to induce a larger interfacial stress than the calculated flow stress, therefore increasing the interfacial crack tendency, which was also effectively verified by the experimental results. [ABSTRACT FROM AUTHOR]

As data sets grow to exascale, automated data analysis and visualization are increasingly important, to intermediate human understanding and to reduce demands on disk storage via in situ analysis. Trends in architecture of high performance computing systems necessitate analysis algorithms to make effective use of combinations of massively multicore and distributed systems. One of the principal analytic tools is the contour tree, which analyses relationships between contours to identify features of more than local importance. Unfortunately, the predominant algorithms for computing the contour tree are explicitly serial, and founded on serial metaphors, which has limited the scalability of this form of analysis. While there is some work on distributed contour tree computation, and separately on hybrid GPU-CPU computation, there is no efficient algorithm with strong formal guarantees on performance allied with fast practical performance. We report the first shared SMP algorithm for fully parallel contour tree computation, with formal guarantees of O(lg V lg t) parallel steps and O(V lg V) work for data with V samples and t contour tree supernodes, and implementations with more than 30× parallel speed up on both CPU using TBB and GPU using Thrust and up 70× speed up compared to the serial sweep and merge algorithm.

Microscopic traffic flow simulations as tools for enabling detailed insights on traffic efficiency and safety gained numerous popularity among transportation researchers, planners and engineers in the first to decades of the 21st century. By implementing a test bed for simulation scenarios of complex urban transportation infrastructure it is possible to inspect specific effects of introducing small infrastructural changes related to the built environment and to the introduction of advanced traffic control strategies. The possibility of reproducing present problems or the transportation services, such as the ones of public bus services is a key motivation of this work. In this research, we reproduce the road network of the city of Kyoto for observing specific travel patterns of public buses such as the bus bunching phenomena. Therefore, a selection of currently available data sets is used for calibrating a cutout of the Kyoto road network of a relatively large extent. After introducing a method for geodata extraction and conversion, we approach the calibration by introducing virtual detectors representing present inductive loops and make use of historical traffic count records. Additionally, we introduce bus routes partially contributed by volunteer mappers (OSM project). First simulation outcomes show numerous familiar (local knowledge) flow patterns.

Horizontal direct chill (HDC) casting is one of the important manufacturing processes for producing aluminum billets. Because of its horizontal nature and gravity effects, controlling HDC casting still remains a challenge. In this study, we tried to simulate and optimize HDC casting to overcome these challenges. This process was investigated with a three-dimensional finite element model (FE) including energy, turbulent Navier–Stokes, and phase change equations applied to industrial HDC casting. The melt flow, sump profile, and mushy zone width were clearly identified under various conditions. The mushy zone width was strongly found to be a function of casting speed, and it was observed that increasing the casting speed increases the sump depth. The asymmetric sump shape has been found to be independent of the casting speed. The effect of water-cooling temperature on the sump depth and shape was not pronounced. The shape of the sump was strongly dependent on the melt inlet's vertical position. The results revealed that gravity's effect on the cooling water causes an asymmetrical sump shape that may affect the billet quality. It was found that the asymmetric sump profile problem can be solved by shifting the melt inlet's vertical position downward. The findings from the simulation were correlated to actual industrial HCD casting, and a symmetric and uniform sump profile was successfully obtained. [ABSTRACT FROM AUTHOR]

In the present work, the anthropogenic mercury content in the soil of a benefit Ex Hacienda (Club Nepomuceno) in the city of Guanajuato, Mexico is analyzed. The patio process used in colonial times spill out 25,000 tons of mercury into rivers and into the air. In the first stage, an exploratory sampling was carried out through 9 vertical holes where 5 samples were selected, these were analyzed by atomic absorption spectroscopy. The mercury concentrations of 600 ppm exceed up to 20 times the concentrations allowed according to the NOM-147-SEMARNAP / SSA1-2004 standard. The second stage of the work was the computational fluid dynamics (CFD) simulation of the diffusion of mercury in the field to find the mathematical model of mercury transfer. The digital elevation model was generated. With the mesh, the study was carried out in Fluent, obtaining the mercury concentration profile, Mercury concentrations pose a risk to human health. [ABSTRACT FROM AUTHOR]

With the in-depth research on high-entropy alloys (HEAs), most of the current research uses experimental methods to verify the effects of the main elements of HEAs on the mechanical properties of the alloys. However, this is limited by the long experimental period and the influence of many external factors. The computer simulation method can not only effectively save costs and shorten the test cycle, but also help to discover new materials and broaden the field of materials. Therefore, in this paper, the physical properties (such as lattice constant, density and elastic constant) of AlCoxCrFeNi (x = 0, 0.25, 0.5, 0.75, 1) HEAs were calculated based on the first-principles calculation method and virtual crystal approximate modeling method. It is found that AlCoxCrFeNi HEAs have the best hardness and toughness properties, with a Co content of 0.5~0.7. The research results can provide theoretical guidance for the preparation of HEAs with optimal mechanical properties. [ABSTRACT FROM AUTHOR]

Inferential reasoning is an integral part of science and civic society, but research shows that it is a problematic domain for many people. One possibility for a more accessible approach to inferential reasoning is to use randomization tests via computer simulations. A case study was conducted with primary preservice teachers after they had passed a course module that introduced inferential reasoning with randomization tests. The study examines how three pairs of primary preservice teachers construct models in a randomization test task with both hands-on and computer-supported components. Our findings suggest that there is a common sequence in the model building process: planning, modeling the random assignment, setting sample size and replacement, and running the simulation. Our findings show in depth how TinkerPlots can be a supportive and constraining medium in the modeling process, building on experiences with physical simulations of a randomization test. These insights can be used for redesigning technology-supported learning trajectories for randomization tests. Together with other case studies our findings provide a good sense of university students' modeling processes. [ABSTRACT FROM AUTHOR]

The conceptualization of biomolecule sensing accomplished by field effect transistor (FET) devices have been attracting substantial contemplation for over twenty years owing to the prospectus for ultra-high sensitivity sensing, labeling free operation, cost efficacious and possibility of miniaturization. To promote deeper backgrounds and future outlooks of biologically sensitive-FETs (BioFETs), we systematically present the extensive review of the related basic principles and technicalities from design, simulation , modeling and fabrication perspectives. The primal significance of sensing ions and molecules for point of care (POC) diagnostics has impelled the seek for ultra sensitive, specific, and robust sensors. Electronic detection exhibits the potential for miniaturized on-chip applications applications that have the possibility of being integrated into classical electronic manufacturing processes and technology. An in depth exploration of major sensing mechanisms and types of BioFETs such as ion sensitive field-effect transistor (ISFET), silicon nanowire (SiNW), organic FET (OFET), graphene FET, and compound semiconductor material based FET are discussed in this review article. BioFETs deliver sensing system that are miniaturized intrinsically suited for multiplexed and parallel detections applications. Herein we also provide the effect on figure of merits of biosensing systems from architectural perspectives of BioFETs. The underlying detection rationale governing every potentiometric sensor is also discussed in detail. Despite of the commercial application of BioFETs in pH sensing has been realized, yet their application for bio-molecular sensing at a commercial scale is obstructed by poor comprehension of how to optimize device design for enhanced figure of merits. In part, these hindrances root from the superior inter-disciplinary nature of the problem experienced in this field, where knowledge of bio-molecular binding kinetics, surface chemistry and electrical engineering is required at large. This article is an attempt to contemplate different aspects of BioFET design from various perspectives. [ABSTRACT FROM AUTHOR]

Sorting is studied in this paper as an archetypal example to explore the optimizing power of consensus. In conceptualizing the consensus sort, the classical hill-climbing method of optimization is paired with the modern notion that value and fitness can be judged by data mining. Consensus sorting is a randomized sorting algorithm which is based on randomly selecting pairs of elements within an unsorted list (expressed in this paper as a permutation), and deciding whether to swap them based on appeals to a database of other permutations. The permutations in the database are all scored via some adaptive sorting metric, and the decision to swap depends on whether the database consensus suggests a better score as a result of swapping. This uninformed search process does not require the definition of the concept of sorting, but rather depends on selecting a metric which does a good job of distinguishing a good path to the goal, a sorted list. A previous paper has shown that the ability of the algorithm to converge on the goal depends strongly on the metric which is used, and analyzed the performance of the algorithm when number of inversions was used as a metric. This paper continues by analyzing the performance of a much more efficient metric, the number of cycles in the permutation. [ABSTRACT FROM AUTHOR]

Louvered building-integrated photovoltaic (BIPV) shade systems have shown multiple benefits in terms of power generation, control of solar heat gain, as well as optimization of ideal daylighting conditions. In this work, the multi-objective optimization and design of both static and dynamically re-configurable BIPV systems are explored, both in horizontal and vertical orientations, and for a range of diverse geographical locations. The full configuration of the designs are optimized, including number and length of shades, as well as the optimal angle at multiple dynamic frequencies. The results demonstrate that when considering the increased cost and complexity of movable shades, the relative improvements in their overall value are unlikely to be worthwhile. Emerging technology of thin-film BIPV window covers are further compared, showing that the relative value of thin-film systems can be significantly lower than louvered systems, and that the optimal absorptance of thin-films is generally > 75 %, with low values (less than 30%) often showing no net value. A generalized overall efficient compromise solution with angles of 65 ∘ , 0.5 m length and area equal to the window area is found to work well in the four diverse environment studied. Finally, it is shown that even with temperature increases under extreme climate change projections, optimal solutions remain stable. • Multi-objective configuration of static and dynamic shades are optimized. • Four locations — Berlin, Tehran, Toronto, and Singapore, are explored. • Horizontal static configurations generally show best cost–benefit performance. • Louvered BIPV shades show significant benefits over thin film coatings. • Generalizable design provides good compromise of performance for all locations. [ABSTRACT FROM AUTHOR]

• Hearth gas injection tackles two shortcomings of OBF simultaneously. • Hearth gas injection significantly reduces OBF solid fuel rate. • Hearth and shaft co-injection further diminishes OBF solid fuel rate. • Application in industrial OBF confirms the model validity. Oxygen blast furnace (OBF) has two well-recognized shortcomings, i.e. , thermal shortage in the upper BF and overheating in the lower BF. Reducing gas injection is an effective method to overcome them. Based on an industrial 380 m3 OBF, the effect of hearth gas injection, and the effect of hearth and shaft co-injection on the global performance indicators and in-furnace states are numerically investigated over a wide range of blast oxygen contents. This is based on the recently developed 3D multi-fluid BF process model, which considers 3D layered burden structure, layered cohesive zone (CZ), deadman profile prediction, trickling liquid flow, productivity prediction, and particle size degradation. Results show that, for different blast oxygen contents, by injecting reducing gas through hearth tuyeres to sustain the bosh gas volume and theoretical flame temperature, the two inherent problems of OBF can be solved simultaneously. Meanwhile, the solid fuel rate significantly reduces. On the basis of hearth gas injection, shaft gas injection can further reduce the solid fuel rate through accelerating the indirect reduction in the upper BF. Moreover, the model applicability is tested against the industrial OBF operated in Baowu, under the "Base Case" and "HyCROF" periods. Compared with the "Base Case", the CZ location and in-furnace thermal state do not change significantly in "HyCROF". The reason for the 30 % solid fuel rate reduction lies in the sufficient physical heat and strong reducing atmosphere brought by the hearth injected reducing gas. Some guidelines for OBF design and control are proposed for general practice. [ABSTRACT FROM AUTHOR]

Shortening lifecycles and increasing complexity make product and production lifecycle processes more challenging than ever for manufacturing enterprises. Virtual Prototyping (VP) technologies promise a viable solution to handle such challenges in reducing time and physical builds as well as increasing quality. In previous studies, the Digital Twin (DT) based Virtual Factory (VF) concept showed significant potential to handle co-evolution by integrating 3D factory and product models with immersive and interactive 3D Virtual Reality (VR) simulation technology as well as real-time bidirectional data synchronisation between virtual and physical production systems. In this article, we present an extension to the paper “Demonstrating and Evaluating the Digital Twin Based Virtual Factory for Virtual Prototyping” presented at CARV2021. The study presents an evaluation by industry experts of the DT based VF concept for VP in the context of New Product Introduction (NPI) processes. The concept is demonstrated in two cases: wind turbine blade manufacturing and nacelle assembly operations at Vestas Wind Systems A/S. The study shows that the VF provides an immersive virtual environment, which allows the users to reduce the time needed for prototyping. The industry experts propose several business cases for the introduced solution and find that the phases that would have the most gain are the later ones (production) where the product design is more mature.

A sequentially coupled multi-phase thermo-mechanical model for laser powder bed fusion (LPBF) of Al-based composites reinforced by 1 wt.% random TiB2 micron particles was established. Due to the remarkable difference in thermophysical properties, the maximum thermal stress was predicted at the TiB2/Al matrix interface and formed at the liquid–solid transition stage. Meanwhile, complicated evolution curves of temperature, strain, and strain rate were predicted with the laser moving time during the solidification stage. To evaluate the interface cracking susceptibilities of micron-TiB2/AlSi10Mg composites, the flow stress of the matrix was calculated, instead of ultimate tensile strength, based on the physical constitutive relationship. From the comparison between the calculated flow stress and the simulated Von Mise equivalent stress, it was found that an increase in TiB2 particle size was inclined to induce a larger interfacial stress than the calculated flow stress, therefore increasing the interfacial crack tendency, which was also effectively verified by the experimental results.

In the post-epidemic era, industrial production has gradually recovered, and the attendant air pollution problem has attracted much attention. In this study, the Zr-doped h-BN monolayer (Zr-BN) is proposed as a new gas sensor for air pollution. Based on density functional theory (DFT), we calculated and compared the adsorption energies (Eads), geometric parameters, the shortest distance between gas and substrate (dsub/gas), density of states (DOS), electron localization function (ELF), charge density difference (CDD), band structure, band gap energy change rate (ΔEg), and sensitivity (S) of Zr-BN adsorption systems (SO2F2, SOF2, SO2, NO, and CO2 adsorption systems). The results show that Zr-BN had strong adsorption and high sensitivity to the above-mentioned polluted gases, and the sensitivity was in the order of SOF2 > SO2F2 > CO2 > SO2 > NO. Therefore, this study provides a theoretical basis for the preparation of Zr-BN gas sensors and provides new ideas and methods for the development of other gas sensors. [ABSTRACT FROM AUTHOR]

To explore the optoelectronic wetting droplet transport mechanism, a transient numerical model of optoelectrowetting (OEW) under the coupling of flow and electric fields is established. The study investigates the impact of externally applied voltage, dielectric constant of the dielectric layer, and interfacial tension between the two phases on the dynamic behavior of droplets during transport. The proposed model employs an improved Young's equation to calculate the instantaneous voltage and contact angle of the droplet on the dielectric layer. Results indicate that, under the influence of OEW, significant variations in the interface contact angle of droplets occur in bright and dark regions, inducing droplet movement. Moreover, the dynamic behavior of droplet transport is closely associated with various parameters, including externally applied voltage, dielectric layer material, and interfacial tension between the two phases, all of which impact the contact angle and, consequently, the transport process. By summarizing the influence patterns of the three key parameters studied, the optimization of droplet transport performance is achieved. The study employs two-dimensional simulation models to emulate the droplet motion under the influence of the electric field, investigating the OEW droplet transport mechanism. The continuous movement of droplets involves three stages: initial wetting, continuous transport, and reaching a steady position. The findings contribute theoretical support for the efficient design of digital microfluidic devices for OEW droplet movement and the selection of key parameters for droplet manipulation., (© 2024 Wiley‐VCH GmbH.)

Enhancement of the electromagnetic properties of metallic nanostructures constitute an extensive research field related to plasmonics. The latter term is derived from plasmons, which are quanta corresponding to longitudinal waves that are propagating in matter by the collective motion of electrons. Plasmonics are increasingly finding wide application in sensing, microscopy, optical communications, biophotonics, and light trapping enhancement for solar energy conversion. Although the plasmonics field has relatively a short history of development, it has led to substantial advancement in enhancing the absorption of the solar spectrum and charge carrier separation efficiency. Recently, huge developments have been made in understanding the basic parameters and mechanisms governing the application of plasmonics, including the effects of nanoparticles' size, arrangement, and geometry and how all these factors impact the dielectric field in the surrounding medium of the plasmons. This review article emphasizes recent developments, fundamentals, and fabrication techniques for plasmonic nanostructures while investigating their thermal effects and detailing light-trapping enhancement mechanisms. The mismatch effect of the front and back light grating for optimum light trapping is also discussed. Different arrangements of plasmonic nanostructures in photovoltaics for efficiency enhancement, plasmonics' limitations, and modeling performance are also deeply explored. [ABSTRACT FROM AUTHOR]

Osteosarcoma (OS) is the most common primary malignant bone tumor of both children and pet canines. Its characteristic genomic instability and complexity coupled with the dearth of knowledge about its etiology has made improvement in the current treatment difficult. We use the existing literature about the biological pathways active in OS and combine it with the current research involving natural compounds to identify new targets and design more effective drug therapies. The key components of these pathways are modeled as a Boolean network with multiple inputs and multiple outputs. The combinatorial circuit is employed to theoretically predict the efficacies of various drugs in combination with Cryptotanshinone. We show that the action of the herbal drug, Cryptotanshinone on OS cell lines induces apoptosis by increasing sensitivity to TNF-related apoptosis-inducing ligand (TRAIL) through its multi-pronged action on STAT3, DRP1 and DR5. The Boolean framework is used to detect additional drug intervention points in the pathway that could amplify the action of Cryptotanshinone. [ABSTRACT FROM AUTHOR]

There is consensus in industry and academia that Highly Automated Vehicles (HAV) and Connected Automated Vehicles (CAV) will be launched into the market in the near future due to emerging autonomous driving technology. In this paper, a mixed traffic simulation framework that integrates vehicle models with different automated driving systems in the microscopic traffic simulation was proposed. Currently, some of the more mature Automated Driving Systems (ADS) functions (e.g., Adaptive Cruise Control (ACC), Lane Keeping Assistant (LKA), etc.) are already equipped in vehicles, the very next step towards a higher automated driving is represented by Level 3 vehicles and CAV which show great promise in helping to avoid crashes, ease traffic congestion, and improve the environment. Therefore, to better predict and simulate the driving behavior of automated vehicles on the motorway scenario, a virtual test framework is proposed which includes the Highway Chauffeur (HWC) and Vehicle-to-Vehicle (V2V) communication function. These functions are implemented as an external driver model in PTV Vissim. The framework uses a detailed digital twin based on the M86 road network located in southwestern Hungary, which was constructed for autonomous driving tests. With this framework, the effect of the proposed vehicle models is evaluated with the microscopic traffic simulator PTV Vissim. A case study of the different penetration rates of HAV and CAV was performed on the M86 motorway. Preliminary results presented in this paper demonstrated that introducing HAV and CAV to the current network individually will cause negative effects on traffic performance. However, a certain ratio of mixed traffic, 60% CAV and 40% Human Driver Vehicles (HDV), could reduce this negative impact. The simulation results also show that high penetration CAV has fine driving stability and less travel delay. [ABSTRACT FROM AUTHOR]

Investigation of the influence of processing parameters on the microstructure evolution of the melt pool is important for microstructure control in laser-based directed energy deposition (DED-LB) processes. Single-track experiments of DED-LB AlSi10Mg alloy were conducted in this work, processing with two laser powers (900 and 1800 W) at a fixed scanning speed (20 mm/s). The grain morphology was changed from columnar to equiaxed towards the center of each melt pool. Meanwhile, the morphology of the α-Al cells in the grains varied from elongated to equiaxed along the same direction due to the increase of cooling rate. A more equiaxed microstructure can be obtained in the melt pool produced at a larger laser power. The scales of the microstructures and the grain morphologies in the melt pools were in accord with the microstructure selection map and grain morphology selection map in temperature gradient (G)–growth velocity (V) space constructed by solidification models. Since G and V are directly related to laser power and scanning speed, the G – V maps can provide the guidance for processing optimization to tailor microstructures in DED-LB Al–Si alloys based on the temperature field simulations of melt pools. • The morphology of α-Al cell is consistent with the grain morphology at the same melt pool depth. • A larger laser power can lead to a more equiaxed microstructure in the melt pool. • The G – V maps can provide the guidance for processing optimization to tailor microstructures in DED-LB Al–Si alloys. [ABSTRACT FROM AUTHOR]

• Tension-compression asymmetry is investigated using atomistic simulations. • Ni-based superalloy (Ni/Ni 3 Al) is selected as the model system. • Distinct plastic deformation mechanisms are revealed for three orientations. • In-plane yield surfaces are generated to highlight the plastic anisotropy. • A generalized flow potential is proposed for use in higher length scale models. Nickel-based superalloys are well known for their excellent mechanical properties under high thermal or mechanical extremes. Reliable predictions of deformation behavior becomes paramount in such cases. Since Ni/Ni 3 Al interface is the prime defect in Ni-based superalloy single crystals, this letter investigates the underlying deformation mechanisms in differently oriented Ni-Ni 3 Al interfaces using atomistic simulations. For in-plane loading along the interface, significant tension-compression asymmetry (TCA) is observed in yielding and the responsible deformation mechanisms at the inception of plasticity are illustrated. Additionally, in-plane yield surface is constructed through biaxial loadings of the material. Finally, a generalized flow equation is proposed to capture the observed asymmetric behavior for its potential use in the realm of higher length scales. [ABSTRACT FROM AUTHOR]

• Explored 3T-APTSC to overcome single-junction solar cell limitations, especially the SQ limit. • Demonstrated the superiority of three-terminal tandems, optimizing current matching and allowing independent adjustments. • Optimized PV parameters for 3T-APTSC: V OC 3.76 V, J SC 10.70 mA/cm2, FF 69.00 %, PCE 26.24 %. Despite numerous publications on two-junction tandems using SCAPS-1D simulation, there is a gap in research regarding three-junction tandems. This paper explores the advantages of three junction all-perovskite tandem solar cells (3J-APTSC) where we introduce a new methodology utilizing two-step filtered spectrum and current matching techniques in SCAPS-1D to design realistic tandem solar cells. Crucial steps involve determining filtered spectrum and current matching points among sub-cells for tandem optimization. Our designed three-terminal tandem solar cell exhibits promising photovoltaic parameters, including V OC : 3.76 V, J SC : 10.70 mA/cm2, FF: 69.00 %, and PCE: 26.24 %, achieved through optimized active layer thicknesses. This thorough examination of 3J-APTSC offers insights that could drive the future development of highly efficient tandem solar cells. [ABSTRACT FROM AUTHOR]

Accurate quantification of the coexistence of adsorbed and free gas content holds the utmost significance for estimating gas-in-place resources and predicting gas production dynamics. In this study, we conducted real-time isothermal adsorption experiments and NMR fluid monitoring on stress-confining core samples, from the Zhengzhuang Block's No.3 coal seam in the southern Qinshui Basin. Our focus was on assessing multi-phase methane gas contents within coal under various pressure and temperature (P/T) conditions. By integrating experimental findings with adsorption potential theory and the SDR adsorption model, we developed comprehensive models for adsorbed, free, and total gas contents as functions of P/T and water/gas volume saturation. Utilizing these models, we predicted vertical variations in adsorbed and free gas contents within the coal seam. Our results revealed that the interplay between positive reservoir pressure effects and adverse reservoir temperature effects influenced both adsorbed and free methane gases. With increasing burial depth, the influence of pressure on adsorbed gas diminished, while temperature effects became more pronounced. Conversely, free gas content responded noticeably to reservoir pressure, with temperature exerting a marginal influence. Additionally, we performed a numerical simulation to reconstruct the thermal history, burial trajectory, and evolution of reservoir pressure for the No.3 coal seam. The simulation results served as foundational data for understanding the evolution of free and adsorbed gas contents across different geological epochs within the in-situ reservoir. Our findings unveiled a four-stage evolutionary progression in both adsorbed and free gas contents, correlating with the uplift and subsidence of the coal seam. In conclusion, our study provides a conceptual model elucidating the intricate, deep-time evolution process and mechanisms governing the occurrence of multiphase gases across distinct geological epochs. The implications of this research are crucial for accurately evaluating gas-in-place resources and guiding the exploration and development of deep coalbed methane resources. [ABSTRACT FROM AUTHOR]

In this article, the power- and spatial-dependent macroscopic electrical transmission and reflection properties of an argon microwave plasma are analyzed. A custom two-port coaxial prototype is built with a variable spatial gap between two electrodes. All measurements are based on the extension of the large-signal scattering parameter (Hot-S) measuring environment and are proof-of-concept for the determination of plasma properties without an external probe. The coaxial topology of the prototype has a fixed reference impedance so that the reference planes can be located at the tip of both electrodes. An equivalent lumped element circuit valid over a wide bandwidth is investigated to simulate the linear macroscopic electromagnetic reflection and transmission properties of the plasma. A series-resonance circuit is chosen since its representation is capable of covering the measurements from 10 to 40 W of input power and gaps from 1 to 3 mm. With this circuit, a continuous relationship between the impedance, power, and the spatial dimensions of the plasma is found. [ABSTRACT FROM AUTHOR]

Partial discharge (PD) activities are the essential contributor of insulation failure, which constitute more than 60% for damaging high voltage equipment. This article presents a critical review on the modelling of partial discharge using different techniques. Monitoring partial discharge activities is essential to enhance the comprehension on the phenomena of partial discharge through modelling process. A lot of tools have been introduced to assist PD measurement in diagnosing and monitoring the condition of high voltage insulation system. This article will evaluate the development of important PD models such as three-capacitance model, Pedersen's model, Finite Element model (FEA), and Niemeyer's model. This review attested that the research studies done on partial discharge are still deficient and there are still countless of study on partial discharge to be carried out. The parameters that have influence on partial discharge occurrence inside cavities in solid dielectric materials are statistical time lag, inception field, effective charge decay time constant, and cavity surface time constant. The initial free electron required for the existence of a PD is provided by the electron surface emission and volume ionization with the cavity while applied voltage's amplitude and frequency are the stress conditions affecting PD behavior in cavities as well as cavity's size, shape, and location. A Comparison regarding modeling time and accuracy of the model between different models of partial discharge have been done in this article. From where it can be concluded that the FEM and Niemeyer's model are suitable for PD due to their average cost and low degree of application, but FEM is commonly used because it is more accurate and easiest model. Moreover, from a comparison of advantages and limitations of different models, it is shown that FEM model has one major limitation that the large amount of data is required during meshing process. Besides, Niemeyer's model is not accurate due to the fundamental assumptions made and these assumptions are not clearly justified with high reliance over immeasurable free parameters.

This article introduces the design and analysis of a small-size coaxial resonant applicator for high-speed microwave heating-assisted additive manufacturing of multiple materials, such as continuous carbon fiber reinforced polymer composites, thermoplastic, and metal parts. The elaborated coaxial resonant applicator reduces the size and has a resonant frequency between 2.4 and 2.5 GHz. A TEM wave is stimulated in the applicator where the electrical field is polarized perpendicular to the filaments and, therefore, allows a maximum penetration depth. The electrical conductive filament is designed as a part of the inner conductor to enhance coupling efficiency. To prevent microwave leakage induced by the conductive material, a compact quarter wavelength filter was developed. The equivalent circuit of the filter was used to analyze the influence of structural parameters on the resonance frequency. The filter has been tested and good agreement between measured and simulated results is obtained. The heating behavior with varying input power has been investigated for polyamide, polylactic acid, and continuous carbon fiber reinforced polyamide filaments. [ABSTRACT FROM AUTHOR]

With the in-depth research on high-entropy alloys (HEAs), most of the current research uses experimental methods to verify the effects of the main elements of HEAs on the mechanical properties of the alloys. However, this is limited by the long experimental period and the influence of many external factors. The computer simulation method can not only effectively save costs and shorten the test cycle, but also help to discover new materials and broaden the field of materials. Therefore, in this paper, the physical properties (such as lattice constant, density and elastic constant) of AlCoxCrFeNi (x = 0, 0.25, 0.5, 0.75, 1) HEAs were calculated based on the first-principles calculation method and virtual crystal approximate modeling method. It is found that AlCoxCrFeNi HEAs have the best hardness and toughness properties, with a Co content of 0.5~0.7. The research results can provide theoretical guidance for the preparation of HEAs with optimal mechanical properties.

The use of bio-based materials (BBM) in buildings is an interesting solution as they are eco-friendly materials and have low embodied energy. This article aims to investigate the hygric performance of two bio-based materials: palm and sunflower concretes. The moisture buffering value (MBV) characterizes the ability of a material or multilayer component to moderate the variation in the indoor relative humidity (RH). In the literature, the moisture buffer values of bio-based concretes were measured at a constant temperature of 23 °C. However, in reality, the indoor temperature of the buildings is variable. The originality of this article is found in studying the influence of the temperature on the moisture buffer performance of BBM. A study at wall scale on its impact on the indoor RH at room level will be carried out. First, the physical models are presented. Second, the numerical models are implemented in the Simulation Problem Analysis and Research Kernel (SPARK) suited to complex problems. Then, the numerical model validated with the experimental results found in the literature is used to investigate the moisture buffering capacity of BBM as a function of the temperature and its application in buildings. The results show that the temperature has a significant impact on the moisture buffering capacity of bio-based building materials and its capacity to dampen indoor RH variation. Using the numerical model presented in this paper can predict and optimize the hygric performance of BBM designed for building application. [ABSTRACT FROM AUTHOR]

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