Molecular simulation study of the microstructures and properties of pyridinium ionic liquid[HPy][BF_(4)]mixed with acetonitrile

The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.

Application of the Computer Simulation Technique to Developing EFI Engine

The application of computer simulation technique to electronic controlled fuel injection(EFI) engine was studied to increase the development speed and improve the overall performance of the engine and car. On the basis of an EFI system developed by ourselves, the simulation model of the initial control data and engine operation points during a driving cycle and the car performance pridiction model were established. This method was applied to a mini car. The experiment showed that the simulated control data has good accuracy; and the engine test points and car performances obtained by simulation are useful for the matching of EFI system with gasoline engine and the development speed is increased.

COMPUTER SIMULATION OF GRAIN BOUNDARY SEGREGATION BEHAVIOR AND MECHANISMS OF STRENGTHENING OF Mg IN Ni-BASED SUPERALLOYS

This paper used EAM and static relaxation method to simulate the grain boundary segregation behavior of Mg in Ni-based superalloys. The results offer a better understanding in the strengthening mechanism of Mg addition in superalloys. The segregation of Mg increases the grain boundary cohesive bond and the vacancy formation energy, and decreases the mobility of grain boundary dislocation. It results in the retardation of creep voids initiation and growth.

Computer Simulation of Compensation Method for Infrared Focal Plane Array

A major motivation for this work is to investigate a method of computer simulation for compensating fixed pattern noise of the infrared focal plane arrays. A mathematical model of the output signal of focal plane array was established; a compensating algorithm utilizing reference source was derived and simulating programs were designed. The images of compensating process verify the influence of nonuniformity of responsibility and offset on fixed pattern noise. The result show that simulating method of investigating compensation technology for focal plane arrays is feasible, the generated images and methods can be used to the study of image recognition.

Global hybrid simulations of soft X-ray emissions in the Earth’s magnetosheath

Earth’s magnetopause is a thin boundary separating the shocked solar wind plasma from the magnetospheric plasmas,and it is also the boundary of the solar wind energy transport to the magnetosphere.Soft X-ray imaging allows investigation of the large-scale magnetopause by providing a two-dimensional(2-D)global view from a satellite.By performing 3-D global hybrid-particle-in-cell(hybrid-PIC)simulations,we obtain soft X-ray images of Earth’s magnetopause under different solar wind conditions,such as different plasma densities and directions of the southward interplanetary magnetic field.In all cases,magnetic reconnection occurs at low latitude magnetopause.The soft X-ray images observed by a hypothetical satellite are shown,with all of the following identified:the boundary of the magnetopause,the cusps,and the magnetosheath.Local X-ray emissivity in the magnetosheath is characterized by large amplitude fluctuations(up to 160%);however,the maximum line-of-sight-integrated X-ray intensity matches the tangent directions of the magnetopause well,indicating that these fluctuations have limited impact on identifying the magnetopause boundary in the X-ray images.Moreover,the magnetopause boundary can be identified using multiple viewing geometries.We also find that solar wind conditions have little effect on the magnetopause identification.The Solar wind Magnetosphere Ionosphere Link Explorer(SMILE)mission will provide X-ray images of the magnetopause for the first time,and our global hybrid-PIC simulation results can help better understand the 2-D X-ray images of the magnetopause from a 3-D perspective,with particle kinetic effects considered.

Hybrid-Vlasov simulation of soft X-ray emissions at the Earth’s dayside magnetospheric boundaries

Solar wind charge exchange produces emissions in the soft X-ray energy range which can enable the study of near-Earth space regions such as the magnetopause,the magnetosheath and the polar cusps by remote sensing techniques.The Solar wind Magnetosphere Ionosphere Link Explorer(SMILE)and Lunar Environment heliospheric X-ray Imager(LEXI)missions aim to obtain soft Xray images of near-Earth space thanks to their Soft X-ray Imager(SXI)instruments.While earlier modeling works have already simulated soft X-ray images as might be obtained by SMILE SXI during its mission,the numerical models used so far are all based on the magnetohydrodynamics description of the space plasma.To investigate the possible signatures of ion-kinetic-scale processes in soft Xray images,we use for the first time a global hybrid-Vlasov simulation of the geospace from the Vlasiator model.The simulation is driven by fast and tenuous solar wind conditions and purely southward interplanetary magnetic field.We first produce global X-ray images of the dayside near-Earth space by placing a virtual imaging satellite at two different locations,providing meridional and equatorial views.We then analyze regional features present in the images and show that they correspond to signatures in soft X-ray emissions of mirrormode wave structures in the magnetosheath and flux transfer events(FTEs)at the magnetopause.Our results suggest that,although the time scales associated with the motion of those transient phenomena will likely be significantly smaller than the integration time of the SMILE and LEXI imagers,mirror-mode structures and FTEs can cumulatively produce detectable signatures in the soft X-ray images.For instance,a local increase by 30%in the proton density at the dayside magnetopause resulting from the transit of multiple FTEs leads to a 12%enhancement in the line-of-sight-and time-integrated soft X-ray emissivity originating from this region.Likewise,a proton density increase by 14%in the magnetosheath associated with mirror-mode structures can result in an enhancement in the soft X-ray signal by 4%.These are likely conservative estimates,given that the solar wind conditions used in the Vlasiator run can be expected to generate weaker soft X-ray emissions than the more common denser solar wind.These results will contribute to the preparatory work for the SMILE and LEXI missions by providing the community with quantitative estimates of the effects of small-scale,transient phenomena occurring on the dayside.

Exhaustive review of acceleration strategies for Monte Carlo simulations in photon transit

Monte Carlo simulation techniques have become the quintessence and a pivotal nexus of inquiry in the realm of simulating photon movement within biological fabrics.Through the stochastic sampling of tissue archetypes delineated by explicit optical characteristics,Monte Carlo simulations possess the theoretical capacity to render unparalleled accuracy in the depiction of exceedingly intricate phenomena.Nonetheless,the quintessential challenge associated with Monte Carlo simulation methodologies resides in their extended computational duration,which significantly impedes the refinement of their precision.Consequently,this discourse is specifically dedicated to exploring innovations in strategies and technologies aimed at expediting Monte Carlo simulations.It delves into the foundational concepts of various acceleration tactics,evaluates these strategies concerning their speed,accuracy,and practicality,and amalgamates a comprehensive overview and critique of acceleration methodologies for Monte Carlo simulations.Ultimately,the discourse envisages prospective trajectories for the employment of Monte Carlo techniques within the domain of tissue optics.

Frontogenesis and Frontolysis of a Cold Filament Driven by the Cross-Filament Wind and Wave Fields Simulated by a Large Eddy Simulation

The variations of the frontogenetic trend of a cold filament induced by the cross-filament wind and wave fields are studied by a non-hydrostatic large eddy simulation. Five cases with different strengths of wind and wave fields are studied.The results show that the intense wind and wave fields further break the symmetries of submesoscale flow fields and suppress the levels of filament frontogenesis. The changes of secondary circulation directions—that is, the conversion between the convergence and divergence of the surface cross-filament currents with the downwelling and upwelling jets in the filament center—are associated with the inertial oscillation. The filament frontogenesis and frontolysis caused by the changes of secondary circulation directions may periodically sharpen and smooth the gradient of submesoscale flow fields.The lifecycle of the cold filament may include multiple stages of filament frontogenesis and frontolysis.

Propagation Properties of Shock Waves in Polyurethane Foam based on Atomistic Simulations

Porous materials are widely used in the field of protection because of their excellent energy absorption characteristics.In this work,a series of polyurethane microscopic models are established and the effect of porosity on the shock waves is studied with classical molecular dynamics simulations.Firstly,shock Hugoniot relations for different porosities are obtained,which compare well with the experimental data.The pores collapse and form local stress wave,which results in the complex multi-wave structure of the shock wave.The microstructure analysis shows that the local stress increases and the local velocity decreases gradually during the process of pore collapse to complete compaction.Finally,it leads to stress relaxation and velocity homogenization.The shock stress peaks can be fitted with two exponential functions,and the amplitude of attenuation coefficient decreases with the increase of density.Besides,the pore collapse under shock or non-shock are discussed by the entropy increase rate of the system.The energy is dissipated mainly through the multiple interactions of the waves under shock.The energy is dissipated mainly by the friction between atoms under non-shock.

Relative Impacts of Sea Ice Loss and Atmospheric Internal Variability on the Winter Arctic to East Asian Surface Air Temperature Based on Large-Ensemble Simulations with NorESM2

To quantify the relative contributions of Arctic sea ice and unforced atmospheric internal variability to the “warm Arctic, cold East Asia”(WACE) teleconnection, this study analyses three sets of large-ensemble simulations carried out by the Norwegian Earth System Model with a coupled atmosphere–land surface model, forced by seasonal sea ice conditions from preindustrial, present-day, and future periods. Each ensemble member within the same set uses the same forcing but with small perturbations to the atmospheric initial state. Hence, the difference between the present-day(or future) ensemble mean and the preindustrial ensemble mean provides the ice-loss-induced response, while the difference of the individual members within the present-day(or future) set is the effect of atmospheric internal variability. Results indicate that both present-day and future sea ice loss can force a negative phase of the Arctic Oscillation with a WACE pattern in winter. The magnitude of ice-induced Arctic warming is over four(ten) times larger than the ice-induced East Asian cooling in the present-day(future) experiment;the latter having a magnitude that is about 30% of the observed cooling. Sea ice loss contributes about 60%(80%) to the Arctic winter warming in the present-day(future) experiment. Atmospheric internal variability can also induce a WACE pattern with comparable magnitudes between the Arctic and East Asia. Ice-lossinduced East Asian cooling can easily be masked by atmospheric internal variability effects because random atmospheric internal variability may induce a larger magnitude warming. The observed WACE pattern occurs as a result of both Arctic sea ice loss and atmospheric internal variability, with the former dominating Arctic warming and the latter dominating East Asian cooling.

Simulation study of the performance of the Very Large Area gamma-ray Space Telescope

The Very Large Area gamma-ray Space Telescope(VLAST)is a mission concept proposed to detect gamma-ray photons through both Compton scattering and electron–positron pair production mechanisms,thus enabling the detection of photons with energies ranging from MeV to TeV.This project aims to conduct a comprehensive survey of the gamma-ray sky from a low-Earth orbit using an anti-coincidence detector,a tracker detector that also serves as a low-energy calorimeter,and a high-energy imaging calorimeter.We developed a Monte Carlo simulation application of the detector using the GEANT4 toolkit to evaluate the instrument performance,including the effective area,angular resolution,and energy resolution,and explored specific optimizations of the detector configuration.Our simulation-based analysis indicates that the current design of the VLAST is physically feasible,with an acceptance above 10 m^(2)sr which is four times larger than that of the Fermi-LAT,an energy resolution better than 2%at 10 GeV,and an angular resolution better than 0.2◦at 10 GeV.The VLAST project promises to make significant contributions to the field of gamma-ray astronomy and enhance our understanding of the cosmos.

Analysis of debris flow control effect and hazard assessment in Xinqiao Gully,Wenchuan M_(s)8.0 earthquake area based on numerical simulation

Xinqiao Gully is located in the area of the 2008 Wenchuan M_(s)8.0 earthquake in Sichuan province,China.Based on the investigation of the 2023"6-26"Xinqiao Gully debris flow event,this study assessed the effectiveness of the debris flow control project and evaluated the debris flow hazards.Through field investigation and numerical simulation methods,the indicators of flow intensity reduction rate and storage capacity fullness were proposed to quantify the effectiveness of the engineering measures in the debris flow event.The simulation results show that the debris flow control project reduced the flow intensity by41.05%to 64.61%.The storage capacity of the dam decreases gradually from upstream to the mouth of the gully,thus effectively intercepting and controlling the debris flow.By evaluating the debris flow of different recurrence intervals,further measures are recommended for managing debris flow events.

Mathematical modeling and simulations of stress mitigation by coating polycrystalline particles in lithium-ion batteries

A chemo-mechanical model is developed to investigate the effects on the stress development of the coating of polycrystalline Ni-rich LiNixMnyCo_(z)O_(2)(x≥0.8)(NMC)particles with poly(3,4-ethylenedioxythiophene)(PEDOT).The simulation results show that the coating of primary NMC particles significantly reduces the stress generation by efficiently accommodating the volume change associated with the lithium diffusion,and the coating layer plays roles both as a cushion against the volume change and a channel for the lithium transport,promoting the lithium distribution across the secondary particles more homogeneously.Besides,the lower stiffness,higher ionic conductivity,and larger thickness of the coating layer improve the stress mitigation.This paper provides a mathematical framework for calculating the chemo-mechanical responses of anisotropic electrode materials and fundamental insights into how the coating of NMC active particles mitigates stress levels.

Research and Application Prospect of Computer Simulation on Heat Treatment Process

In this paper, a modified temperature-phase transformation-stress/strain field coupled 3D non-linear mathematical model was used in the computer simulation on heat treatment processes of workpieces including catch jaw, anchor ring, cold roller, large-scale bearing roller, nitriding crank shaft, etc. The simulation on complicated technologies such as pre-cooled quenching, double media quenching, self-tempering, difference temperature heating, nitriding distortion was carried out. The optimum design of heat treatment technology has been realized. The successful application of computer simulation on heat treatment have also been demonstrated.

Computer Aided Simulation on Precision Cold Forging of Universal Joint Cross

The 3D FEM numerical simulation on multi-action precision cold forging technology of universal joint cross and differential spider is done in this article using DEFORM Software, a commercial computer aided engineering software specializing in forming and heat treatment simulation technology, and suitable for cold, warm and hot forging process. The material flow properties, the dynamic variation of stress and strain in the process of deformation and the load-stroke curve have also been achieved. A good consistency is exhibited between simulation results and practical data. Based on the DEFORM simulation results, the optimized procedure has been found for forging a universal joint cross. What should be emphasized here is that a better understanding of practical forging characters and the environmental factors can greatly improve the simulation accuracy thus make the simulation results more reliable.

Effect of rare earth on B-Al permeating and computer kinetic simulation of permeation layer forming

It was found that rare earth influenced per process of permeation layer forming, and that the tooth of layer was thinner, thicker, straighter and longer by observing permeation layers at different holding times.It was so image, lifelike and audio-visual by computer kinetic simulation that the layer forming could be continuously observed. Because it con forms to reality, the computer kinetic simulation can forecast the layer thickness and it will offer a reasonable permeating technology.

COMPUTERIZED SIMULATION AND EXPERIMENTAL RESEARCH ON SOFT-SWITCHING ARC WELDING INVERTER POWER SOURCE

Based on the existing component models in the Pspice software package, a combined model for Insulat- ed the Bipolar Transistor (IGBT) is established, in which a non - linear is introduced to represent the parasitic capacitance. Using this model, computerized simulation is conducted for the FB - ZVZCS - PWM soft - ewitching converter,the switching and energy-transferring characteristics of the components are analyzed.The simulation results are testified by experiments.It is proved that by abopting appropriate models,computerized simulation becomes an effective tool for investigation of arc welding inverter power source.

DEVELOPMENT OF COMPUTER SIMULATION SOFTWAREON PHASE TRANSFORMATION DURING QUENCHING

A computer software to simulate the phase transformation during quenching is designed based on Avrami equation and Scheil additivity principle of incubation period. The isothermal transformation diagrams of supercooled austenite are described by cubic spline functions. This software is possess of a good graphic interface of Windows style, can simulate the whole process in austenite decomposition during continuous cooling. If the cooling rate was given, the fraction of various microstructures transformed of austenite decomposition during continuous cooling at any temperature can be calculated. The simulation results are checked with the quenching experiment of 45 steel. The results indicate that the simulation results are comparatively close to the experimental results.

A New Method with High Confidence for Validation of Computer Simulation Models of Flight Systems

Computer simulation models may by used to gain further information about missile performance variability. Model validation is an important aspect of the test program for a missile system. Validation provides a basis for confidence in the model's results and is a necessary step if the model is to be used to draw inference about the behavior of the real missile. This paper is a review of methods useful for validation of computer simulation models of missile systems and provides a new method with high degree of confidence for validation of computer simulation models of missile systems. Some examples of the use of the new method in validating computer simulation models are given.

Comparison of Snellen and Early Treatment Diabetic Retinopathy Study charts using a computer simulation

AIM：To compare accuracy,reproducibility and test duration for the Snellen and the Early Treatment Diabetic Retinopathy Study（ETDRS）charts,two main tools used to measure visual acuity（VA）.·M ETHODS：A computer simulation was programmed to run multiple virtual patients,each with a unique set of assigned parameters,including VA,false-positive and false-negative error values.For each virtual patient,assigned VA was randomly chosen along a continuous scale spanning the range between 1.0 to 0.0 log MAR units（equivalent to 20/200 to 20/20）.Each of 30 000virtual patients were run ten times on each of the two VA charts.·RESULTS：Average test duration（expressed as the total number of characters presented during the test±SD）was12.6±11.1 and 31.2±14.7 characters,for the Snellen and ETDRS,respectively.Accuracy,defined as the absolute difference（±SD）between the assigned VA and the measured VA,expressed in log MAR units,was superior in the ETDRS charts：0.12±0.14 and 0.08±0.08,for the Snellen and ETDRS charts,respectively.Reproducibility,expressed as test-retest variability,was superior in the ETDRS charts：0.23±0.17 and 0.11±0.09 log MAR units,for the Snellen and ETDRS charts,respectively.·CONCLUSION：A comparison of true（assigned）VA to measured VA,demonstrated,on average,better accuracy and reproducibility of the ETDRS chart,but at the penalty of significantly longer test duration.These differences were most pronounced in the low VA range.The reproducibility using a simulation approach is in line with reproducibility values found in several clinical studies.