The maintenance of safety and dependability in rail and road embankments is of utmost importance in order to facilitate the smooth operation of transportation networks.This study introduces a comprehensive methodology...The maintenance of safety and dependability in rail and road embankments is of utmost importance in order to facilitate the smooth operation of transportation networks.This study introduces a comprehensive methodology for soil slope stability evaluation,employing Monte Carlo Simulation(MCS)and Subset Simulation(SS)with the"UPSS 3.0 Add-in"in MS-Excel.Focused on an 11.693-meter embankment with a soil slope(inclination ratio of 2H:1V),the investigation considers earthquake coefficients(kh)and pore water pressure ratios(ru)following Indian zoning requirements.The chance of slope failure showed a considerable increase as the Coefficient of Variation(COV),seismic coefficients(kh),and pore water pressure ratios(ru)experienced an escalation.The SS approach showed exceptional efficacy in calculating odds of failure that are notably low.Within computational modeling,the study optimized the worst-case scenario using ANFIS-GA,ANFIS-GWO,ANFIS-PSO,and ANFIS-BBO models.The ANFIS-PSO model exhibits exceptional accuracy(training R2=0.9011,RMSE=0.0549;testing R2=0.8968,RMSE=0.0615),emerging as the most promising.This study highlights the significance of conducting thorough risk assessments and offers practical insights into evaluating and improving the stability of soil slopes in transportation infrastructure.These findings contribute to the enhancement of safety and reliability in real-world situations.展开更多
This study aimed to investigate the pollution characteristics, source apportionment, and health risks associated with trace metal(loid)s(TMs) in the major agricultural producing areas in Chongqing, China. We analyzed ...This study aimed to investigate the pollution characteristics, source apportionment, and health risks associated with trace metal(loid)s(TMs) in the major agricultural producing areas in Chongqing, China. We analyzed the source apportionment and assessed the health risk of TMs in agricultural soils by using positive matrix factorization(PMF) model and health risk assessment(HRA) model based on Monte Carlo simulation. Meanwhile, we combined PMF and HRA models to explore the health risks of TMs in agricultural soils by different pollution sources to determine the priority control factors. Results showed that the average contents of cadmium(Cd), arsenic (As), lead(Pb), chromium(Cr), copper(Cu), nickel(Ni), and zinc(Zn) in the soil were found to be 0.26, 5.93, 27.14, 61.32, 23.81, 32.45, and 78.65 mg/kg, respectively. Spatial analysis and source apportionment analysis revealed that urban and industrial sources, agricultural sources, and natural sources accounted for 33.0%, 27.7%, and 39.3% of TM accumulation in the soil, respectively. In the HRA model based on Monte Carlo simulation, noncarcinogenic risks were deemed negligible(hazard index <1), the carcinogenic risks were at acceptable level(10^(-6)<total carcinogenic risk ≤ 10^(-4)), with higher risks observed for children compared to adults. The relationship between TMs, their sources, and health risks indicated that urban and industrial sources were primarily associated with As, contributing to 75.1% of carcinogenic risks and 55.7% of non-carcinogenic risks, making them the primary control factors. Meanwhile, agricultural sources were primarily linked to Cd and Pb, contributing to 13.1% of carcinogenic risks and 21.8% of non-carcinogenic risks, designating them as secondary control factors.展开更多
尾矿及其周边土壤中的铀及重金属污染对生态系统安全产生严重威胁,并对人类健康造成潜在风险。本研究以美国环境保护署提出的健康风险评估模型为基础,借助蒙特卡洛模拟(Monte Carlo Simulation)的确定性和概率性模型及敏感性分析的综合...尾矿及其周边土壤中的铀及重金属污染对生态系统安全产生严重威胁,并对人类健康造成潜在风险。本研究以美国环境保护署提出的健康风险评估模型为基础,借助蒙特卡洛模拟(Monte Carlo Simulation)的确定性和概率性模型及敏感性分析的综合模拟方法,通过对多种暴露途径的综合估算,评估了中国南部某铀尾矿及周边区域土壤对成年男性、成年女性及儿童的致癌和非致癌风险。结果表明,研究区域内存在儿童及成年女性的累积非致癌健康风险和致癌健康风险。敏感性分析结果表明,优先控制砷、铅、铀、锑、钒可有效降低非致癌风险;优先控制砷、铬和镉可有效降低致癌风险。展开更多
By three-dimensional kinetic Monte Carlo simulations, the effects of the temperature, the flux rate, the total coverage and the interruption time on the distribution and the number of self-assembled InAs/GaAs （001） ...By three-dimensional kinetic Monte Carlo simulations, the effects of the temperature, the flux rate, the total coverage and the interruption time on the distribution and the number of self-assembled InAs/GaAs （001） quantum dot （QD） islands are studied, which shows that a higher temperature, a lower flux rate and a longer growth time correspond to a better island distribution. The relations between the number of islands and the temperature and the flux rate are also successfully simulated. It is observed that for the total coverage lower than 0.5 ML, the number of islands decreases with the temperature increasing and other growth parameters fixed and the number of islands increases with the flux rate increasing when the deposition is lower than 0.6 ML and the other parameters are fixed.展开更多
We present a theoretical study of the magnetic properties of the lanthanum copper manganate double perovskite La2CuMnO6 ceramic,using Monte Carlo simulations.We analyze and discuss the ground state phase diagrams in d...We present a theoretical study of the magnetic properties of the lanthanum copper manganate double perovskite La2CuMnO6 ceramic,using Monte Carlo simulations.We analyze and discuss the ground state phase diagrams in different planes to show the effect of every physical parameter.Based on the Monte Carlo simulations,which combine Metropolis algorithm and Ising model,we explore the thermal behavior of the total magnetization and susceptibility.We also present and discuss the influence of physical parameters such as the external magnetic field,the exchange coupling interactions between magnetic atoms,and the exchange magnetic field on the magnetization of the system.Moreover,the critical temperature of the system is about Tc=70 K,in agreement with the experimental value.Finally,the hysteresis loops of La2CuMnO6 are discussed.展开更多
Monte Carlo simulation was applied to Assembly Success Rate (ASR) analyses.ASR of two peg-in-hole robot assemblies was used as an example by taking component parts' sizes,manufacturing tolerances and robot repeata...Monte Carlo simulation was applied to Assembly Success Rate (ASR) analyses.ASR of two peg-in-hole robot assemblies was used as an example by taking component parts' sizes,manufacturing tolerances and robot repeatability into account.A statistic arithmetic expression was proposed and deduced in this paper,which offers an alternative method of estimating the accuracy of ASR,without having to repeat the simulations.This statistic method also helps to choose a suitable sample size,if error reduction is desired.Monte Carlo simulation results demonstrated the feasibility of the method.展开更多
In this study,novel rhenium–boron neutronshielding high-temperature-resistant materials were designed.The considered samples,Re60–B40,Re58–B42,Re50–B50,and Re40–B60,with different concentrations of rhenium and bo...In this study,novel rhenium–boron neutronshielding high-temperature-resistant materials were designed.The considered samples,Re60–B40,Re58–B42,Re50–B50,and Re40–B60,with different concentrations of rhenium and boron were investigated to elucidate their neutron-shielding performances,and compare them with well-known neutron-shielding materials such as the 316 LN quality nuclear steel.In addition to the experimental studies,Monte Carlo simulations were performed using the FLUKA and GEANT4 codes,where 4.5-MeV neutrons emitted by a ^(241)Am–Be source were employed.Experimental equivalent dose rates,simulated track lengths,energy balances,and neutron mass absorption cross sections were discussed in detail.展开更多
The molecular dynamics(MD) method was used to investigate the displacement cascades with primary knock-on atom(PKA) energies of 2-40 keV at 100 and600 K.The migration energy of defects and their clusters was calculate...The molecular dynamics(MD) method was used to investigate the displacement cascades with primary knock-on atom(PKA) energies of 2-40 keV at 100 and600 K.The migration energy of defects and their clusters was calculated by nudged elastic band(NEB) method.Object kinetic Monte Carlo(OKMC) was used to simulate the evolution of defects in Ni under annealing.In each annealing stage,the recombination mechanism was discussed and evolution of the defects under different cascade conditions was compared.It was found that the defects generated in high-temperature cascades are more stable than those in the low-temperature cascades.In addition,almost all the defects are annihilated during annealing process at low PKA energy.At PKA energy of 20-40 keV,however,a large number of defects would remain after annealing.展开更多
The variational and diffusion Monte Carlo approaches are used to study the ground-state properties of a hydrogen molecular ion in a spheroidal box. In this work, we successfully treat the zero-point motion of protons ...The variational and diffusion Monte Carlo approaches are used to study the ground-state properties of a hydrogen molecular ion in a spheroidal box. In this work, we successfully treat the zero-point motion of protons in the same formalism with as of electrons and avoid the Born–Oppenheimer approximation in density function theory. The study shows that the total energy increases with the decrease in volume, and that the distance between protons decreases as the pressure increases.Considering the motion of protons, the kinetic energy of the electron is higher than that of the fixed model under the same conditions and increases by 5%. The kinetic energy of the proton is found to be small under high pressure, which is only a fraction of the kinetic energy of the electron.展开更多
When multiphysics coupling calculations contain time-dependent Monte Carlo particle transport simulations, these simulations often account for the largest part of the calculation time, which is insufferable in certain...When multiphysics coupling calculations contain time-dependent Monte Carlo particle transport simulations, these simulations often account for the largest part of the calculation time, which is insufferable in certain important cases. This study proposes an adaptive strategy for automatically adjusting the sample size to fulfil more reasonable simulations. This is realized based on an extension of the Shannon entropy concept and is essentially different from the popular methods in timeindependent Monte Carlo particle transport simulations, such as controlling the sample size according to the relative error of a target tally or by experience. The results of the two models show that this strategy can yield almost similar results while significantly reducing the calculation time. Considering the efficiency, the sample size should not be increased blindly if the efficiency cannot be enhanced further. The strategy proposed herein satisfies this requirement.展开更多
The first-principles calculations based on density functional theory combined with cluster expansion techniques and Monte Carlo （MC） simulations were used to study the phase diagrams of both wurtzite （WZ） and zinc...The first-principles calculations based on density functional theory combined with cluster expansion techniques and Monte Carlo （MC） simulations were used to study the phase diagrams of both wurtzite （WZ） and zinc-blende （ZB） Cdl_xZnxS alloys. All formation energies are positive for WZ and ZB Cdl-xZnxS alloys, which means that the Cdl-xZnxS alloys are unstable and have a tendency to phase separation. For WZ and ZB Cdl_xZnxS alloys, the consolute temperatures are 655 K and 604 K, respectively, and they both have an asymmetric miscibility gap. We obtained the spatial distributions of Cd and Zn atoms in WZ and ZB Cd0.sZn0.sS alloys at different temperatures by MC simulations. We found that both WZ and ZB phases of Cdo.sZn0.sS alloy exhibit phase segregation of Cd and Zn atoms at low temperature, which is consistent with the phase diagrams.展开更多
文摘The maintenance of safety and dependability in rail and road embankments is of utmost importance in order to facilitate the smooth operation of transportation networks.This study introduces a comprehensive methodology for soil slope stability evaluation,employing Monte Carlo Simulation(MCS)and Subset Simulation(SS)with the"UPSS 3.0 Add-in"in MS-Excel.Focused on an 11.693-meter embankment with a soil slope(inclination ratio of 2H:1V),the investigation considers earthquake coefficients(kh)and pore water pressure ratios(ru)following Indian zoning requirements.The chance of slope failure showed a considerable increase as the Coefficient of Variation(COV),seismic coefficients(kh),and pore water pressure ratios(ru)experienced an escalation.The SS approach showed exceptional efficacy in calculating odds of failure that are notably low.Within computational modeling,the study optimized the worst-case scenario using ANFIS-GA,ANFIS-GWO,ANFIS-PSO,and ANFIS-BBO models.The ANFIS-PSO model exhibits exceptional accuracy(training R2=0.9011,RMSE=0.0549;testing R2=0.8968,RMSE=0.0615),emerging as the most promising.This study highlights the significance of conducting thorough risk assessments and offers practical insights into evaluating and improving the stability of soil slopes in transportation infrastructure.These findings contribute to the enhancement of safety and reliability in real-world situations.
基金supported by Project of Chongqing Science and Technology Bureau (cstc2022jxjl0005)。
文摘This study aimed to investigate the pollution characteristics, source apportionment, and health risks associated with trace metal(loid)s(TMs) in the major agricultural producing areas in Chongqing, China. We analyzed the source apportionment and assessed the health risk of TMs in agricultural soils by using positive matrix factorization(PMF) model and health risk assessment(HRA) model based on Monte Carlo simulation. Meanwhile, we combined PMF and HRA models to explore the health risks of TMs in agricultural soils by different pollution sources to determine the priority control factors. Results showed that the average contents of cadmium(Cd), arsenic (As), lead(Pb), chromium(Cr), copper(Cu), nickel(Ni), and zinc(Zn) in the soil were found to be 0.26, 5.93, 27.14, 61.32, 23.81, 32.45, and 78.65 mg/kg, respectively. Spatial analysis and source apportionment analysis revealed that urban and industrial sources, agricultural sources, and natural sources accounted for 33.0%, 27.7%, and 39.3% of TM accumulation in the soil, respectively. In the HRA model based on Monte Carlo simulation, noncarcinogenic risks were deemed negligible(hazard index <1), the carcinogenic risks were at acceptable level(10^(-6)<total carcinogenic risk ≤ 10^(-4)), with higher risks observed for children compared to adults. The relationship between TMs, their sources, and health risks indicated that urban and industrial sources were primarily associated with As, contributing to 75.1% of carcinogenic risks and 55.7% of non-carcinogenic risks, making them the primary control factors. Meanwhile, agricultural sources were primarily linked to Cd and Pb, contributing to 13.1% of carcinogenic risks and 21.8% of non-carcinogenic risks, designating them as secondary control factors.
文摘尾矿及其周边土壤中的铀及重金属污染对生态系统安全产生严重威胁,并对人类健康造成潜在风险。本研究以美国环境保护署提出的健康风险评估模型为基础,借助蒙特卡洛模拟(Monte Carlo Simulation)的确定性和概率性模型及敏感性分析的综合模拟方法,通过对多种暴露途径的综合估算,评估了中国南部某铀尾矿及周边区域土壤对成年男性、成年女性及儿童的致癌和非致癌风险。结果表明,研究区域内存在儿童及成年女性的累积非致癌健康风险和致癌健康风险。敏感性分析结果表明,优先控制砷、铅、铀、锑、钒可有效降低非致癌风险;优先控制砷、铬和镉可有效降低致癌风险。
基金Project supported by the National Natural Science Foundation of China(Grant Nos.60908028,60971068,and 10979065)the Fundamental Research Funds for the Central Universities,China(Grant No.2011RC0402)the Program for New Century Excellent Talents in University,China(Grant No.NCET-10-0261)
文摘By three-dimensional kinetic Monte Carlo simulations, the effects of the temperature, the flux rate, the total coverage and the interruption time on the distribution and the number of self-assembled InAs/GaAs （001） quantum dot （QD） islands are studied, which shows that a higher temperature, a lower flux rate and a longer growth time correspond to a better island distribution. The relations between the number of islands and the temperature and the flux rate are also successfully simulated. It is observed that for the total coverage lower than 0.5 ML, the number of islands decreases with the temperature increasing and other growth parameters fixed and the number of islands increases with the flux rate increasing when the deposition is lower than 0.6 ML and the other parameters are fixed.
文摘We present a theoretical study of the magnetic properties of the lanthanum copper manganate double perovskite La2CuMnO6 ceramic,using Monte Carlo simulations.We analyze and discuss the ground state phase diagrams in different planes to show the effect of every physical parameter.Based on the Monte Carlo simulations,which combine Metropolis algorithm and Ising model,we explore the thermal behavior of the total magnetization and susceptibility.We also present and discuss the influence of physical parameters such as the external magnetic field,the exchange coupling interactions between magnetic atoms,and the exchange magnetic field on the magnetization of the system.Moreover,the critical temperature of the system is about Tc=70 K,in agreement with the experimental value.Finally,the hysteresis loops of La2CuMnO6 are discussed.
文摘Monte Carlo simulation was applied to Assembly Success Rate (ASR) analyses.ASR of two peg-in-hole robot assemblies was used as an example by taking component parts' sizes,manufacturing tolerances and robot repeatability into account.A statistic arithmetic expression was proposed and deduced in this paper,which offers an alternative method of estimating the accuracy of ASR,without having to repeat the simulations.This statistic method also helps to choose a suitable sample size,if error reduction is desired.Monte Carlo simulation results demonstrated the feasibility of the method.
基金supported by the Scientific and Technological Research Council of Turkey(TUBITAK)(No:111T764)
文摘In this study,novel rhenium–boron neutronshielding high-temperature-resistant materials were designed.The considered samples,Re60–B40,Re58–B42,Re50–B50,and Re40–B60,with different concentrations of rhenium and boron were investigated to elucidate their neutron-shielding performances,and compare them with well-known neutron-shielding materials such as the 316 LN quality nuclear steel.In addition to the experimental studies,Monte Carlo simulations were performed using the FLUKA and GEANT4 codes,where 4.5-MeV neutrons emitted by a ^(241)Am–Be source were employed.Experimental equivalent dose rates,simulated track lengths,energy balances,and neutron mass absorption cross sections were discussed in detail.
基金supported by the CAS Strategically Leading Program of the Chinese Academy of Sciences(XD02004140)the National Natural Science Foundation of China(Nos.51371080,11076012)
文摘The molecular dynamics(MD) method was used to investigate the displacement cascades with primary knock-on atom(PKA) energies of 2-40 keV at 100 and600 K.The migration energy of defects and their clusters was calculated by nudged elastic band(NEB) method.Object kinetic Monte Carlo(OKMC) was used to simulate the evolution of defects in Ni under annealing.In each annealing stage,the recombination mechanism was discussed and evolution of the defects under different cascade conditions was compared.It was found that the defects generated in high-temperature cascades are more stable than those in the low-temperature cascades.In addition,almost all the defects are annihilated during annealing process at low PKA energy.At PKA energy of 20-40 keV,however,a large number of defects would remain after annealing.
基金Project supported by the National Key R&D Program of China(Grant No.2018YFA0305900)the National Natural Science Foundation of China(Grant Nos.51632002,51572108,91745203,11634004,11174102,and 1174121)+2 种基金the National Key Research and Development Program of China(Grant No.2016YFB0201204)the Program for Changjiang Scholars and Innovative Research Team in University,China(Grant No.IRT 15R23)the National Fund for Fostering Talents of Basic Science,China(Grant No.J1103202)
文摘The variational and diffusion Monte Carlo approaches are used to study the ground-state properties of a hydrogen molecular ion in a spheroidal box. In this work, we successfully treat the zero-point motion of protons in the same formalism with as of electrons and avoid the Born–Oppenheimer approximation in density function theory. The study shows that the total energy increases with the decrease in volume, and that the distance between protons decreases as the pressure increases.Considering the motion of protons, the kinetic energy of the electron is higher than that of the fixed model under the same conditions and increases by 5%. The kinetic energy of the proton is found to be small under high pressure, which is only a fraction of the kinetic energy of the electron.
基金supported by the CAEP Found (No.CX20200028)Youth Program of National Natural Science Foundation of China (No.11705011).
文摘When multiphysics coupling calculations contain time-dependent Monte Carlo particle transport simulations, these simulations often account for the largest part of the calculation time, which is insufferable in certain important cases. This study proposes an adaptive strategy for automatically adjusting the sample size to fulfil more reasonable simulations. This is realized based on an extension of the Shannon entropy concept and is essentially different from the popular methods in timeindependent Monte Carlo particle transport simulations, such as controlling the sample size according to the relative error of a target tally or by experience. The results of the two models show that this strategy can yield almost similar results while significantly reducing the calculation time. Considering the efficiency, the sample size should not be increased blindly if the efficiency cannot be enhanced further. The strategy proposed herein satisfies this requirement.
基金supported by the National Natural Science Foundation of China(Grant Nos.11164014 and 11364025)Gansu Science and Technology Pillar Program,China(Grant No.1204GKCA057)
文摘The first-principles calculations based on density functional theory combined with cluster expansion techniques and Monte Carlo （MC） simulations were used to study the phase diagrams of both wurtzite （WZ） and zinc-blende （ZB） Cdl_xZnxS alloys. All formation energies are positive for WZ and ZB Cdl-xZnxS alloys, which means that the Cdl-xZnxS alloys are unstable and have a tendency to phase separation. For WZ and ZB Cdl_xZnxS alloys, the consolute temperatures are 655 K and 604 K, respectively, and they both have an asymmetric miscibility gap. We obtained the spatial distributions of Cd and Zn atoms in WZ and ZB Cd0.sZn0.sS alloys at different temperatures by MC simulations. We found that both WZ and ZB phases of Cdo.sZn0.sS alloy exhibit phase segregation of Cd and Zn atoms at low temperature, which is consistent with the phase diagrams.
