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
Registrations based on the manual placement of spherical targets are still being employed by many professionals in the industry.However,the placement of those targets usually relies solely on personal experience witho...Registrations based on the manual placement of spherical targets are still being employed by many professionals in the industry.However,the placement of those targets usually relies solely on personal experience without scientific evidence supported by numerical analysis.This paper presents a comprehensive investigation,based on Monte Carlo simulation,into determining the optimal number and positions for efficient target placement in typical scenes consisting of a pair of facades.It demonstrates new check-up statistical rules and geometrical constraints that can effectively extract and analyze massive simulations of unregistered point clouds and their corresponding registrations.More than 6×10^(7) sets of the registrations were simulated,whereas more than IOO registrations with real data were used to verify the results of simulation.The results indicated that using five spherical targets is the best choice for the registration of a large typical registration site consisting of two vertical facades and a ground,when there is only a box set of spherical targets available.As a result,the users can avoid placing extra targets to achieve insignificant improvements in registration accuracy.The results also suggest that the higher registration accuracy can be obtained when the ratio between the facade-to-target distance and target-to-scanner distance is approximately 3:2.Therefore,the targets should be placed closer to the scanner rather than in the middle between the facades and the scanner,contradicting to the traditional thought. Besides,the results reveal that the accuracy can be increased by setting the largest projected triangular area of the targets to be large.展开更多
The effect of spin-1 impurities doping on the magnetic properties of a spin-3/2 Ising nanotube is investigated using Monte Carlo simulations within the Blume-Emery-Griffiths model in the presence of an external magnet...The effect of spin-1 impurities doping on the magnetic properties of a spin-3/2 Ising nanotube is investigated using Monte Carlo simulations within the Blume-Emery-Griffiths model in the presence of an external magnetic field. The thermal behaviors of the order parameters and different macroscopic instabilities as well as the hysteretic behavior of the material are examined in great detail as a function of the dopant density. It is found that the impurities concentration affects all the system magnetic properties generating for some specific values, compensation points and multi-cycle hysteresis. Doping conditions where the saturation/remanent magnetization and coercive field of the investigated material can be modified for permanent or soft magnets synthesis purpose are discussed.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
In public health,simulation modeling stands as an invaluable asset,enabling the evaluation of new systems without their physical implementation,experimentation with existing systems without operational adjustments,and...In public health,simulation modeling stands as an invaluable asset,enabling the evaluation of new systems without their physical implementation,experimentation with existing systems without operational adjustments,and testing system limits without real-world repercussions.In simulation modeling,the Monte Carlo method emerges as a powerful yet underutilized tool.Although the Monte Carlo method has not yet gained widespread prominence in healthcare,its technological capabilities hold promise for substantial cost reduction and risk mitigation.In this review article,we aimed to explore the transformative potential of the Monte Carlo method in healthcare contexts.We underscore the significance of experiential insights derived from simulated experimentation,especially in resource-constrained scenarios where time,financial constraints,and limited resources necessitate innovative and efficient approaches.As public health faces increasing challenges,incorporating the Monte Carlo method presents an opportunity for enhanced system construction,analysis,and evaluation.展开更多
Gamma ray shielding is essential to ensure the safety of personnel and equipment in facilities and environments where radiation exists.The Monte Carlo technique is vital for analyzing the gamma-ray shielding capabilit...Gamma ray shielding is essential to ensure the safety of personnel and equipment in facilities and environments where radiation exists.The Monte Carlo technique is vital for analyzing the gamma-ray shielding capabilities of materials.In this study,a simple Monte Carlo code,EJUSTCO,is developed to cd simulate gamma radiation transport in shielding materials for academic purposes.The code considers the photoelectric effect,Compton(incoherent)scattering,pair production,and photon annihilation as the dominant interaction mechanisms in the gamma radiation shielding problem.Variance reduction techniques,such as the Russian roulette,survival weighting,and exponential transformation,are incorporated into the code to improve computational efficiency.Predicting the exponential transformation parameter typically requires trial and error as well as expertise.Herein,a deep learning neural network is proposed as a viable method for predicting this parameter for the first time.The model achieves an MSE of 0.00076752 and an R-value of 0.99998.The exposure buildup factors and radiation dose rates due to the passage of gamma radiation with different source energies and varying thicknesses of lead,water,iron,concrete,and aluminum in single-,double-,and triple-layer material systems are validated by comparing the results with those of MCNP,ESG,ANS-6.4.3,MCBLD,MONTEREY MARK(M),PENELOPE,and experiments.Average errors of 5.6%,2.75%,and 10%are achieved for the exposure buildup factor in single-,double-,and triple-layer materials,respectively.A significant parameter that is not considered in similar studies is the gamma ray albedo.In the EJUSTCO code,the total number and energy albedos have been computed.The results are compared with those of MCNP,FOTELP,and PENELOPE.In general,the EJUSTCO-developed code can be employed to assess the performance of radiation shielding materials because the validation results are consistent with theoretical,experimental,and literary results.展开更多
Grand canonical Monte Carlo simulation(GCMCs)is utilized for studying hydrogen storage gravimetric density by pha-graphene at different metal densities,temperatures and pressures.It is demonstrated that the optimum ad...Grand canonical Monte Carlo simulation(GCMCs)is utilized for studying hydrogen storage gravimetric density by pha-graphene at different metal densities,temperatures and pressures.It is demonstrated that the optimum adsorbent location for Li atoms is the center of the seven-membered ring of pha-graphene.The binding energy of Li-decorated phagraphene is larger than the cohesive energy of Li atoms,implying that Li can be distributed on the surface of pha-graphene without forming metal clusters.We fitted the force field parameters of Li and C atoms at different positions and performed GCMCs to study the absorption capacity of H_(2).The capacity of hydrogen storage was studied by the differing density of Li decoration.The maximum hydrogen storage capacity of 4Li-decorated pha-graphene was 15.88 wt%at 77 K and100 bar.The enthalpy values of adsorption at the three densities are in the ideal range of 15 kJ·mol^(-1)-25 kJ·mol^(-1).The GCMC results at different pressures and temperatures show that with the increase in Li decorative density,the hydrogen storage gravimetric ratio of pha-graphene decreases but can reach the 2025 US Department of Energy's standard(5.5 wt%).Therefore,pha-graphene is considered to be a potential hydrogen storage material.展开更多
The elementary reactions of propylene polymerization catalyzed by conventional Ziegler-Natta catalysts was proposed according to the comprehensive view and without considering the effect of any impurity in the materia...The elementary reactions of propylene polymerization catalyzed by conventional Ziegler-Natta catalysts was proposed according to the comprehensive view and without considering the effect of any impurity in the material on propylene polymerization. The Monte Carlo simulation technique was employed to investigate the kinetics of propylene polymerization in order to determine the validity of the stationary state assumption and the effects of the polymerization temperature on the polymerization. The simulated total amount of active species, which only increases quickly at the beginning of the polymerization, indicates that the stationary state assumption in the studied system is valid. Moreover, significant effects of polymerization temperature on the polymerization conversion, and the molecular weight and its distribution were also analyzed. The simulated results show that the consumption rate of propylene increases with the increase of polymerization temperature; the maximum values of the number-average degree of polymerization are constant at different polymerization temperatures, however, the peak appears earlier with the higher temperature; as the polymerization temperature increases, the average molecular weight decreases and the molecular weight distribution changes greatly.展开更多
A method for designing an X-ray flatness filter for medical electron linac is developed. It is used in the optimization process in the electron beam radiation system. Monte Carlo simulation method is used and two exam...A method for designing an X-ray flatness filter for medical electron linac is developed. It is used in the optimization process in the electron beam radiation system. Monte Carlo simulation method is used and two examples of real radiation system optimization processes for China-made medical electron linac are provided: 15 MV X- ray system of BJ-20 linac, and 12 MeV electron system of BJ-14. Results are verified by using the traditional method.展开更多
The Monte Carlo simulators with the three valley model and the full band Monte Carlo model are used to explore electron transport in bulk wurtzite gallium nitride (GaN).Comparison of the results based on the two mode...The Monte Carlo simulators with the three valley model and the full band Monte Carlo model are used to explore electron transport in bulk wurtzite gallium nitride (GaN).Comparison of the results based on the two models is made.The results based on both models are basically the same at the lower field region,but exhibit some differences at the higher field region.The electron average energy exhibits obvious difference at the high field region between the two models.This difference further causes several other differences of GaN properties,such as the drift velocity versus field characteristics,the repopulation.Because of the complicated energy band structures at the high energy region for wurtzite GaN,the analytical band structures in the three valley model can not cover all properties of the band structures of wurtzite GaN,so the results based on the full band Monte Carlo model should be more exact.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
The electron transport properties in Ge are calculated by full band Monte Carlo technique with anisotropic scattering consideration.The calculation procedures are as follows:the full band structure is calculated by no...The electron transport properties in Ge are calculated by full band Monte Carlo technique with anisotropic scattering consideration.The calculation procedures are as follows:the full band structure is calculated by nonlocal empirical pseudopotential approach;the relative value of density of state (DOS) is computed by counting the number of states located in a certain region of the energy;the phonon dispersion curve is obtained from an adiabatic bond charge model;the electron phonon scattering rates are approximated by the nonparabolic model derived from Fermi’s golden rule at low energy region and scaled by DOS at higher energy region;the energy and momentum conservations are employed for choosing the final state after scattering.The validity of this Monte Carlo simulator and the physical models that are used is fully confirmed by comparing the program output to experimental results listed in references.As this Monte Carlo model can accurately reproduce the velocity and energy characteristics of electrons in Ge and the DOS scaled scattering rate can significantly reduce the computational cost for scattering rates,this approach is suitable for device simulation.展开更多
With the illustration of a specific problem, this paper demonstrates that using Monte Carlo Simulation technology will improve intuitive effect of teaching Probability and Mathematical Statistics course, and save inst...With the illustration of a specific problem, this paper demonstrates that using Monte Carlo Simulation technology will improve intuitive effect of teaching Probability and Mathematical Statistics course, and save instructors' effort as well.And it is estimated that Monte Carlo Simulation technology will be one of the major teaching methods for Probability and Mathematical Statistics course in the future.展开更多
Hydrogenated microcrystalline silicon (~c-Si:H) films with a high deposition rate of 1.2nm/s were prepared by hot-wire chemical vapor deposition (HWCVD). The growth-front roughening processes of the μc-Si..H fil...Hydrogenated microcrystalline silicon (~c-Si:H) films with a high deposition rate of 1.2nm/s were prepared by hot-wire chemical vapor deposition (HWCVD). The growth-front roughening processes of the μc-Si..H films were investi- gated by atomic force microscopy. According to the scaling theory, the growth exponent β≈0.67, the roughness exponent α≈0.80,and the dynamic exponent 1/z = 0.40 are obtained. These scaling exponents cannot be explained well by the known growth models. An attempt at Monte Carlo simulation has been made to describe the growth process of μc-Si: H film using a particle reemission model where the incident flux distribution,the type and concentration of growth radical, and sticking,reemission,shadowing mechanisms all contributed to the growing morphology.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.
基金Key Research and Development Program of Guangdong Province (No.2020B0101130009)
文摘Registrations based on the manual placement of spherical targets are still being employed by many professionals in the industry.However,the placement of those targets usually relies solely on personal experience without scientific evidence supported by numerical analysis.This paper presents a comprehensive investigation,based on Monte Carlo simulation,into determining the optimal number and positions for efficient target placement in typical scenes consisting of a pair of facades.It demonstrates new check-up statistical rules and geometrical constraints that can effectively extract and analyze massive simulations of unregistered point clouds and their corresponding registrations.More than 6×10^(7) sets of the registrations were simulated,whereas more than IOO registrations with real data were used to verify the results of simulation.The results indicated that using five spherical targets is the best choice for the registration of a large typical registration site consisting of two vertical facades and a ground,when there is only a box set of spherical targets available.As a result,the users can avoid placing extra targets to achieve insignificant improvements in registration accuracy.The results also suggest that the higher registration accuracy can be obtained when the ratio between the facade-to-target distance and target-to-scanner distance is approximately 3:2.Therefore,the targets should be placed closer to the scanner rather than in the middle between the facades and the scanner,contradicting to the traditional thought. Besides,the results reveal that the accuracy can be increased by setting the largest projected triangular area of the targets to be large.
文摘The effect of spin-1 impurities doping on the magnetic properties of a spin-3/2 Ising nanotube is investigated using Monte Carlo simulations within the Blume-Emery-Griffiths model in the presence of an external magnetic field. The thermal behaviors of the order parameters and different macroscopic instabilities as well as the hysteretic behavior of the material are examined in great detail as a function of the dopant density. It is found that the impurities concentration affects all the system magnetic properties generating for some specific values, compensation points and multi-cycle hysteresis. Doping conditions where the saturation/remanent magnetization and coercive field of the investigated material can be modified for permanent or soft magnets synthesis purpose are discussed.
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 European Union-NextGenerationEU,through the National Recovery and Resilience Plan of the Republic of Bulgaria,No.BG-RRP-2.004-0008.
文摘In public health,simulation modeling stands as an invaluable asset,enabling the evaluation of new systems without their physical implementation,experimentation with existing systems without operational adjustments,and testing system limits without real-world repercussions.In simulation modeling,the Monte Carlo method emerges as a powerful yet underutilized tool.Although the Monte Carlo method has not yet gained widespread prominence in healthcare,its technological capabilities hold promise for substantial cost reduction and risk mitigation.In this review article,we aimed to explore the transformative potential of the Monte Carlo method in healthcare contexts.We underscore the significance of experiential insights derived from simulated experimentation,especially in resource-constrained scenarios where time,financial constraints,and limited resources necessitate innovative and efficient approaches.As public health faces increasing challenges,incorporating the Monte Carlo method presents an opportunity for enhanced system construction,analysis,and evaluation.
基金Our profound gratitude and appreciation go to the Egyptian and Japanese governments for supporting and financing this research work at the Egypt-Japan University of Science and TechnologyFurther appreciation goes to the Science and Technology Development Fund for the additional financial support(project ID:STDF-33397).
文摘Gamma ray shielding is essential to ensure the safety of personnel and equipment in facilities and environments where radiation exists.The Monte Carlo technique is vital for analyzing the gamma-ray shielding capabilities of materials.In this study,a simple Monte Carlo code,EJUSTCO,is developed to cd simulate gamma radiation transport in shielding materials for academic purposes.The code considers the photoelectric effect,Compton(incoherent)scattering,pair production,and photon annihilation as the dominant interaction mechanisms in the gamma radiation shielding problem.Variance reduction techniques,such as the Russian roulette,survival weighting,and exponential transformation,are incorporated into the code to improve computational efficiency.Predicting the exponential transformation parameter typically requires trial and error as well as expertise.Herein,a deep learning neural network is proposed as a viable method for predicting this parameter for the first time.The model achieves an MSE of 0.00076752 and an R-value of 0.99998.The exposure buildup factors and radiation dose rates due to the passage of gamma radiation with different source energies and varying thicknesses of lead,water,iron,concrete,and aluminum in single-,double-,and triple-layer material systems are validated by comparing the results with those of MCNP,ESG,ANS-6.4.3,MCBLD,MONTEREY MARK(M),PENELOPE,and experiments.Average errors of 5.6%,2.75%,and 10%are achieved for the exposure buildup factor in single-,double-,and triple-layer materials,respectively.A significant parameter that is not considered in similar studies is the gamma ray albedo.In the EJUSTCO code,the total number and energy albedos have been computed.The results are compared with those of MCNP,FOTELP,and PENELOPE.In general,the EJUSTCO-developed code can be employed to assess the performance of radiation shielding materials because the validation results are consistent with theoretical,experimental,and literary results.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11904175,11804169,and 11804165)the Graduate Innovation Project of Jiangsu Province,China(Grant No.KYCX210700)。
文摘Grand canonical Monte Carlo simulation(GCMCs)is utilized for studying hydrogen storage gravimetric density by pha-graphene at different metal densities,temperatures and pressures.It is demonstrated that the optimum adsorbent location for Li atoms is the center of the seven-membered ring of pha-graphene.The binding energy of Li-decorated phagraphene is larger than the cohesive energy of Li atoms,implying that Li can be distributed on the surface of pha-graphene without forming metal clusters.We fitted the force field parameters of Li and C atoms at different positions and performed GCMCs to study the absorption capacity of H_(2).The capacity of hydrogen storage was studied by the differing density of Li decoration.The maximum hydrogen storage capacity of 4Li-decorated pha-graphene was 15.88 wt%at 77 K and100 bar.The enthalpy values of adsorption at the three densities are in the ideal range of 15 kJ·mol^(-1)-25 kJ·mol^(-1).The GCMC results at different pressures and temperatures show that with the increase in Li decorative density,the hydrogen storage gravimetric ratio of pha-graphene decreases but can reach the 2025 US Department of Energy's standard(5.5 wt%).Therefore,pha-graphene is considered to be a potential hydrogen storage material.
基金The National Natural Science Foundation of China(No.20406016)the Project of Fujian Petrochemical Company of SIN-OPEC (No.MS/FJ-08-JS-15-2005-01).
文摘The elementary reactions of propylene polymerization catalyzed by conventional Ziegler-Natta catalysts was proposed according to the comprehensive view and without considering the effect of any impurity in the material on propylene polymerization. The Monte Carlo simulation technique was employed to investigate the kinetics of propylene polymerization in order to determine the validity of the stationary state assumption and the effects of the polymerization temperature on the polymerization. The simulated total amount of active species, which only increases quickly at the beginning of the polymerization, indicates that the stationary state assumption in the studied system is valid. Moreover, significant effects of polymerization temperature on the polymerization conversion, and the molecular weight and its distribution were also analyzed. The simulated results show that the consumption rate of propylene increases with the increase of polymerization temperature; the maximum values of the number-average degree of polymerization are constant at different polymerization temperatures, however, the peak appears earlier with the higher temperature; as the polymerization temperature increases, the average molecular weight decreases and the molecular weight distribution changes greatly.
基金Supported by the National Natural Science Foundation of China (60672104,10675013)the Na-tional Basic Research Program of China ("973"Program)(2006CB705705)+1 种基金the 10th Five-Year Plan of the Ministry of Science and Technology of China(2001BA706B-05)the Joint Research Foundation of Beijing Municipal Commissionof Education~~
文摘A method for designing an X-ray flatness filter for medical electron linac is developed. It is used in the optimization process in the electron beam radiation system. Monte Carlo simulation method is used and two examples of real radiation system optimization processes for China-made medical electron linac are provided: 15 MV X- ray system of BJ-20 linac, and 12 MeV electron system of BJ-14. Results are verified by using the traditional method.
文摘The Monte Carlo simulators with the three valley model and the full band Monte Carlo model are used to explore electron transport in bulk wurtzite gallium nitride (GaN).Comparison of the results based on the two models is made.The results based on both models are basically the same at the lower field region,but exhibit some differences at the higher field region.The electron average energy exhibits obvious difference at the high field region between the two models.This difference further causes several other differences of GaN properties,such as the drift velocity versus field characteristics,the repopulation.Because of the complicated energy band structures at the high energy region for wurtzite GaN,the analytical band structures in the three valley model can not cover all properties of the band structures of wurtzite GaN,so the results based on the full band Monte Carlo model should be more exact.
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。
文摘The electron transport properties in Ge are calculated by full band Monte Carlo technique with anisotropic scattering consideration.The calculation procedures are as follows:the full band structure is calculated by nonlocal empirical pseudopotential approach;the relative value of density of state (DOS) is computed by counting the number of states located in a certain region of the energy;the phonon dispersion curve is obtained from an adiabatic bond charge model;the electron phonon scattering rates are approximated by the nonparabolic model derived from Fermi’s golden rule at low energy region and scaled by DOS at higher energy region;the energy and momentum conservations are employed for choosing the final state after scattering.The validity of this Monte Carlo simulator and the physical models that are used is fully confirmed by comparing the program output to experimental results listed in references.As this Monte Carlo model can accurately reproduce the velocity and energy characteristics of electrons in Ge and the DOS scaled scattering rate can significantly reduce the computational cost for scattering rates,this approach is suitable for device simulation.
文摘With the illustration of a specific problem, this paper demonstrates that using Monte Carlo Simulation technology will improve intuitive effect of teaching Probability and Mathematical Statistics course, and save instructors' effort as well.And it is estimated that Monte Carlo Simulation technology will be one of the major teaching methods for Probability and Mathematical Statistics course in the future.
文摘Hydrogenated microcrystalline silicon (~c-Si:H) films with a high deposition rate of 1.2nm/s were prepared by hot-wire chemical vapor deposition (HWCVD). The growth-front roughening processes of the μc-Si..H films were investi- gated by atomic force microscopy. According to the scaling theory, the growth exponent β≈0.67, the roughness exponent α≈0.80,and the dynamic exponent 1/z = 0.40 are obtained. These scaling exponents cannot be explained well by the known growth models. An attempt at Monte Carlo simulation has been made to describe the growth process of μc-Si: H film using a particle reemission model where the incident flux distribution,the type and concentration of growth radical, and sticking,reemission,shadowing mechanisms all contributed to the growing morphology.