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COMPUTERIZED SIMULATION OF THERMODYNAMICS FOR MOLTEN LiF-KF SOLUTION BY MONTE CARLO METHOD
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作者 XU Chi JIANG Naixiong CHEN Nianyi Shanghai Institute of Metallurgy,Academia Sinica,Shanghai,China 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1992年第8期145-148,共4页
The structure and behaviour of LiF-KF solution,as a typical common-anion system,has been simulated by Monte Carlo method.The calculation of partial radial distribution function of ions,heat of mixing and potential ene... The structure and behaviour of LiF-KF solution,as a typical common-anion system,has been simulated by Monte Carlo method.The calculation of partial radial distribution function of ions,heat of mixing and potential energy distribution shows that the average distance be- tween Li^+ and F^- ions will significantly narrow after mixing of molten LiF and KF.This is very similar to the lean-on-one-side effect in molten LiF-KCl solution.The calculated heat of mixing is in fair agreement with the measured one.The dominant source of the energy of mixing may be that the decrease of the repulsion energy between cations,the decrease of the attraction energy between cations and anions,and the decrease of the repulsion energy be- tween anions. 展开更多
关键词 molten salt monte carlo method computerized simulation thermodynamic property LiF-KF system
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Seismic Inventory Simulation and Conformance Test Based on the Monte Carlo Method——A Case Study of the Fenhe-Weihe Belt
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作者 Shao Xiaoyi Wang Xiaoqing +1 位作者 Dou Aixia Yuan Xiaoxiang 《Earthquake Research in China》 CSCD 2018年第4期533-548,共16页
Artificial earthquake catalogue simulation is one of the ways to effectively improve the incompleteness of the existing earthquake catalogue,the scarcity of large earthquake records and the improvement of seismologica... Artificial earthquake catalogue simulation is one of the ways to effectively improve the incompleteness of the existing earthquake catalogue,the scarcity of large earthquake records and the improvement of seismological research. Based on the Poisson distribution model of seismic activity and the Gutenberg-Richter magnitude-frequency relationship,the Monte Carlo method which can describe the characteristics of the stochastic nature and the physical experiment process is used. This paper simulates the future seismic catalogues of the Fenhe-Weihe seismic belt of different durations and conducts statistical tests on them.The analysis shows that the simulation catalogue meets the set seismic activity parameters and meets the Poisson distribution hypothesis,which can obtain a better simulated earthquake catalogues that meets the seismic activity characteristics. According to the simulated earthquake catalogues,future earthquake trends in this region are analyzed to provide reference for seismic hazard analysis. 展开更多
关键词 monte carlo method SIMULATED earthquake CATALOGUES SEISMIC activity Fenhe-Weihe SEISMIC BELT
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ON THE MONTE CARLO SIMULATION OF NORMAL GRAIN GROWTH 被引量:3
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作者 Y.T. Liu X.J. Guan X.M. Shen X.F. Ma L.J. Wang 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2008年第4期282-288,共7页
The microstructures and their kinetics of normal grain growth are simulated using different Monte Carlo (MC) algorithms. Compared with the relative figures and the theoretical normal grain growth exponents of n =0.5... The microstructures and their kinetics of normal grain growth are simulated using different Monte Carlo (MC) algorithms. Compared with the relative figures and the theoretical normal grain growth exponents of n =0.5, the effects of some factors of MC algorithm, i.e. the lattice types, the methods of selecting lattice sites, and the neighbors selection for energy calculations, on the simulation results of grain growth are studied. Two methods of regression were compared, and the three-parameter nonlinear regression is much more suitable for fitting the grain growth kinetics. A better model with appropriate factors included triangular lattice, the attempted site randomly selected, and the first and second nearest neighbors for energy calculations is obtained. 展开更多
关键词 Grain growth MICROSTRUCTURE monte carlo method Computer simulation Grain growth kinetics Nonlinear regression
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Statistical Modification Analysis of Helical Planetary Gears based on Response Surface Method and Monte Carlo Simulation 被引量:15
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作者 ZHANG Jun GUO Fan 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2015年第6期1194-1203,共10页
Tooth modification technique is widely used in gear industry to improve the meshing performance of gearings. However, few of the present studies on tooth modification considers the influence of inevitable random error... Tooth modification technique is widely used in gear industry to improve the meshing performance of gearings. However, few of the present studies on tooth modification considers the influence of inevitable random errors on gear modification effects. In order to investigate the uncertainties of tooth modification amount variations on system's dynamic behaviors of a helical planetary gears, an analytical dynamic model including tooth modification parameters is proposed to carry out a deterministic analysis on the dynamics of a helical planetary gear. The dynamic meshing forces as well as the dynamic transmission errors of the sun-planet 1 gear pair with and without tooth modifications are computed and compared to show the effectiveness of tooth modifications on gear dynamics enhancement. By using response surface method, a fitted regression model for the dynamic transmission error(DTE) fluctuations is established to quantify the relationship between modification amounts and DTE fluctuations. By shifting the inevitable random errors arousing from manufacturing and installing process to tooth modification amount variations, a statistical tooth modification model is developed and a methodology combining Monte Carlo simulation and response surface method is presented for uncertainty analysis of tooth modifications. The uncertainly analysis reveals that the system's dynamic behaviors do not obey the normal distribution rule even though the design variables are normally distributed. In addition, a deterministic modification amount will not definitely achieve an optimal result for both static and dynamic transmission error fluctuation reduction simultaneously. 展开更多
关键词 tooth modification helical planetary gears response surface method monte carlo simulation
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A MONTE CARLO SIMULATION OF THE CVD DIAMOND FILM 被引量:2
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作者 Y.Zhang,X.G.Qin and G.Q.Liu Materials Modeling, Simulation and Design Group, School of Material Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China. 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1999年第5期1029-1032,共4页
A Monte Carlo algorithm has been developed by the authors to simulate the chemical vapor deposition (CVD) processes of diamond films. The method considers both the diffusion and the incorporation of the growth radical... A Monte Carlo algorithm has been developed by the authors to simulate the chemical vapor deposition (CVD) processes of diamond films. The method considers both the diffusion and the incorporation of the growth radicals on the growing surface in simulating the evolution of the morphology and microstructure. The calculation of configuration energy is used to determine the orientation of adsorbed growth radicals. The effect of processing variables such as nucleation density and substrate temperature on the morphology and microstructure is discussed. It is found that competitive characteristic and coarsening effect exist in the simulation results, which agree with the experimental observations. 展开更多
关键词 CVD diamond film computer simulation monte carlo method
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Verification of modified sum-peak method in Monte Carlo simulation of full energy peak and sum-peak efficiencies of a HPGe detector 被引量:1
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作者 Tsukasa Aso Yoshimune Ogata Hidesuke Itadzu 《辐射防护》 CAS CSCD 北大核心 2020年第6期527-532,共6页
The modified sum-peak method estimates radioactivity by using only the peak and the sum-peak count rates.To verify the modified sum-peak method,the dependence of the full energy peak efficiency on the source-to-detect... The modified sum-peak method estimates radioactivity by using only the peak and the sum-peak count rates.To verify the modified sum-peak method,the dependence of the full energy peak efficiency on the source-to-detector distance in a high-purity germanium detector system was studied using a Geant4 Monte Carlo simulation.The effect of the deadlayer in the germanium crystal was estimated by reference to experiments on 241 Am and the relative efficiency of the detector.The peak efficiency dependence on the source-to-detector distance was compared between the simulation and measurements.The modified sum-peak method is discussed with respect to these peak efficiencies. 展开更多
关键词 Geant4 monte carlo simulation sum-peak method peak efficiency HPGE 60Co
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Security Simulation of Continuous-Variable Quantum Key Distribution over Air-to-Water Channel Using Monte Carlo Method 被引量:1
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作者 谢才浪 郭迎 +2 位作者 王一军 黄端 张玲 《Chinese Physics Letters》 SCIE CAS CSCD 2018年第9期10-13,共4页
Considering the ocean water's optical attenuation and the roughness of the sea surface, we analyze the security of continuous-variable (CV) quantum key distribution (QKD) based Mr-to-water channel. The effects of... Considering the ocean water's optical attenuation and the roughness of the sea surface, we analyze the security of continuous-variable (CV) quantum key distribution (QKD) based Mr-to-water channel. The effects of the absorp- tion and scattering on the transmittance of underwater quantum channel and the maximum secure transmission distance are studied. Considering the roughness of the sea surface, we simulate the performance bounds of CV QKD with different wind speeds using the Monte Carlo method. The results show that even if the secret key rate gradually reduces as the wind speed increases, the maximum transmission distance will not be affected obviously. Compared to the works regarding short-distance underwater optical communication, our research represents a significant step towards establishing secure communication between air platform and submarine vehicle. 展开更多
关键词 QKD Security simulation of Continuous-Variable Quantum Key Distribution over Air-to-Water Channel Using monte carlo method CV
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A new hybrid method—combined heat flux method with Monte-Carlo method to analyze thermal radiation 被引量:2
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作者 Zengwu Zhao Daqiang Cang +2 位作者 Wenfei Wu Yike Li Baowei Li 《Journal of University of Science and Technology Beijing》 CSCD 2006年第1期25-28,共4页
A new hybrid method, Monte-Carlo-Heat-Flux (MCHF) method, was presented to analyze the radiative heat transfer of participating medium in a three-dimensional rectangular enclosure using combined the Monte-Carlo meth... A new hybrid method, Monte-Carlo-Heat-Flux (MCHF) method, was presented to analyze the radiative heat transfer of participating medium in a three-dimensional rectangular enclosure using combined the Monte-Carlo method with the heat flux method. Its accuracy and reliability was proved by comparing the computational results with exact results from classical "Zone Method". 展开更多
关键词 radiation heat transfer SCATTERING numerical simulation monte-carlo method heat flux method
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COMPUTER SIMULATION OF STRUCTURE OF MOLTEN DyF_3-BaF_2-LiF SYSTEM BY MONTE CARLO METHOD
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作者 Xu Chi Su Hang Chen Nianyi(Shanghai Institute of Metallurgy,Chinese Academy of Sciences,Shanghai 200050) 《中国有色金属学会会刊:英文版》 CSCD 1996年第4期31-34,共4页
COMPUTERSIMULATIONOFSTRUCTUREOFMOLTENDyF_3-BaF_2-LiFSYSTEMBYMONTECARLOMETHOD¥XuChi;SuHang;ChenNianyi(Shanghai... COMPUTERSIMULATIONOFSTRUCTUREOFMOLTENDyF_3-BaF_2-LiFSYSTEMBYMONTECARLOMETHOD¥XuChi;SuHang;ChenNianyi(ShanghaiInstituteofMetall... 展开更多
关键词 rare-earth fluoride MOLTEN salt COMPUTER simulation monte carlo method local STRUCTURE
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Monte Carlo Simulation of Fractures Using Isogeometric Boundary Element Methods Based on POD-RBF
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作者 Haojie Lian Zhongwang Wang +3 位作者 Haowen Hu Shengze Li Xuan Peng Leilei Chen 《Computer Modeling in Engineering & Sciences》 SCIE EI 2021年第7期1-20,共20页
This paper presents a novel framework for stochastic analysis of linear elastic fracture problems.Monte Carlo simulation(MCs)is adopted to address the multi-dimensional uncertainties,whose computation cost is reduced ... This paper presents a novel framework for stochastic analysis of linear elastic fracture problems.Monte Carlo simulation(MCs)is adopted to address the multi-dimensional uncertainties,whose computation cost is reduced by combination of Proper Orthogonal Decomposition(POD)and the Radial Basis Function(RBF).In order to avoid re-meshing and retain the geometric exactness,isogeometric boundary element method(IGABEM)is employed for simulation,in which the Non-Uniform Rational B-splines(NURBS)are employed for representing the crack surfaces and discretizing dual boundary integral equations.The stress intensity factors(SIFs)are extracted by M integral method.The numerical examples simulate several cracked structures with various uncertain parameters such as load effects,materials,geometric dimensions,and the results are verified by comparison with the analytical solutions. 展开更多
关键词 monte carlo simulation POD RBF isogeometric boundary element method FRACTURE
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Monte Carlo simulation based thinning and calculating method for noninvasive blood glucose sensing by near-infrared spectroscopy
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作者 Congcong Ma Jia Qin +3 位作者 Qi Zhang Junsheng Lu Kexin Xu Jingying Jiang 《Journal of Innovative Optical Health Sciences》 SCIE EI CAS 2017年第2期40-51,共12页
Previous results show that the floating reference theory(FRT)is an effective tool to reduce the infuence of interference factors on noninvasive blood glucose sensing by near infrared spectros-copy(NIRS).It is the key ... Previous results show that the floating reference theory(FRT)is an effective tool to reduce the infuence of interference factors on noninvasive blood glucose sensing by near infrared spectros-copy(NIRS).It is the key to measure the floating reference point(FRP)precisely for the application of FRT.Monte Carlo(MC)simulation has been introduced to quantitatively in-vestigate the effects of positioning errors and light source drifts on measuring FRP.In this article,thinning and calculating method(TCM)is proposed to quantify the positioning error.Mean-while,the normalization process(NP)is developed to significantly reduce the error induced by light source drift.The results according to TCM show that 7 purm deviations in positioning can generate about 10.63%relative error in FRP.It is more noticeable that 1%fluctuation in light source intensity may lead to 12.21%relative errors.Gratifyingly,the proposed NP model can effectively reduce the error caused by light source drift.Therefore,the measurement system for FRPs must meet that the positioning error is less than 7 purm,and the light source drift is kept within 1%.Furthermore,an improvement for measurement system is proposed in order to take advantage of the NP model. 展开更多
关键词 Thinning and calculating method monte carlo simulation noninvasive blood glucose sensing foating reference theory positioning error light source drift.
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New Approach to Simulating the Absorption of Gamma Radiations Using the Monte-Carlo Method: A Computational Study
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作者 Alireza Heidari Mohammadali Ghorbani 《Journal of Modern Physics》 2012年第3期260-265,共6页
The following article has been retracted due to the investigation of complaints received against it. Mr. Mohammadali Ghorbani (corresponding author and also the last author) cheated the author’s name: Alireza Heidari... The following article has been retracted due to the investigation of complaints received against it. Mr. Mohammadali Ghorbani (corresponding author and also the last author) cheated the author’s name: Alireza Heidari. The scientific community takes a very strong view on this matter and we treat all unethical behavior such as plagiarism seriously. This paper published in Vol.3 No.3, 260-265, 2012, has been removed from this site. 展开更多
关键词 simulation PHOTON TRANSPORT MATERIAL monte-carlo method Klein-Nishina Distribution
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Fe-Cr二元合金微观组织演化的质量密度场耦合动力学Monte-Carlo模拟研究
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作者 史芳杰 李南 +7 位作者 郭峻铭 陈柏屹 李飒腾 刘浩良 郭建业 李乾武 李烨飞 肖冰 《物理学报》 SCIE EI CAS CSCD 北大核心 2023年第13期151-168,共18页
本文建立了一种全新的将动力学Monte-Carlo粒子模拟与基于归一化Gauss函数基组的质量密度场空间粗粒化模型耦合的杂化模拟算法.采用该杂化模拟算法,系统对比研究了4种Cr原子含量分别为12.8%,20.0%,30.0%和40.0%的Fe-Cr合金中Cr相在温度... 本文建立了一种全新的将动力学Monte-Carlo粒子模拟与基于归一化Gauss函数基组的质量密度场空间粗粒化模型耦合的杂化模拟算法.采用该杂化模拟算法,系统对比研究了4种Cr原子含量分别为12.8%,20.0%,30.0%和40.0%的Fe-Cr合金中Cr相在温度为673 K下的时效析出动力学机制,及其时效不同阶段微观组织形貌的演变规律.研究得出Fe-Cr(12.8%)合金富Cr相时效组织形貌呈现孤立颗粒状空间分布形态,时效机制属于形核-长大(NG)机制;对于Fe-Cr(30.0%)和Fe-Cr(40.0%),富Cr相时效形貌在形核-生长及熟化阶段均呈现为三维蠕虫状空间分布特征,时效机制属于条幅分解(SD)机制;对于Fe-Cr(20.0%)合金,其富Cr相组织演化特征介于NG和SD机制之间.研究进一步发现Cr原子短程序参量可用来分析富Cr相形核-生长阶段Fe-Cr合金原子尺度结构的演变,但对于时效熟化阶段微观结构组织变化不敏感.基于空间粗粒化后Fe-Cr合金微观组织形貌,进一步分析了4种Cr原子含量下Fe-Cr合金相变动力学参数如富Cr相体积分数、平均粒径及相颗粒数密度随时效时间演变.本文建立的质量密度场耦合动力学Monte-Carlo模拟方法,为开发多尺度算法模拟合金时效动力学机制及微观组织形貌演变提供了新的思路和研究基础. 展开更多
关键词 FE-CR 合金 CR 沉积 动力学 monte-carlo 模拟 粗粒化方法
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基于Monte-Carlo模拟的小样本下齿轮疲劳极限计算方法及软件开发 被引量:2
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作者 李扬 刘怀举 +2 位作者 魏沛堂 毛天雨 陈地发 《中国机械工程》 EI CAS CSCD 北大核心 2023年第2期185-192,共8页
齿轮疲劳极限评估Dixon-Mood(D-M)法的试验样本需求量较大,标准差估计值存在较大偏差,因此基于Monte-Carlo模拟提出小样本的齿轮疲劳极限分析方法(CQUboot),并结合大量弯曲疲劳极限试验对D-M法和CQUboot法进行了对比分析。与GB/T 14230... 齿轮疲劳极限评估Dixon-Mood(D-M)法的试验样本需求量较大,标准差估计值存在较大偏差,因此基于Monte-Carlo模拟提出小样本的齿轮疲劳极限分析方法(CQUboot),并结合大量弯曲疲劳极限试验对D-M法和CQUboot法进行了对比分析。与GB/T 14230—2021《齿轮弯曲疲劳强度试验方法》推荐的20~22个样本计算结果相比,样本量降至12时,D-M法的最大误差为15.76%~24.99%,CQUboot法为8.02%~12.98%;以12.66%为疲劳极限预估允许的最大误差时,D-M法至少需要10~18个样本点,CQUboot法只需8个样本点。 展开更多
关键词 齿轮疲劳极限 Dixon-Mood法 monte-carlo模拟 试验验证 软件开发
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Monte-Carlo模拟在土壤重金属生态风险评价中的应用
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作者 陈莹 吴敏 +5 位作者 陈全 牛学奎 和丽萍 王静 王斌 潘波 《环境化学》 CAS CSCD 北大核心 2023年第10期3359-3367,共9页
离散检测数据的重金属生态风险评估往往受采样数据空间覆盖度有限、检测数据随机波动等问题影响,使评价结果具有较大的不确定性.相对而言,基于地方区域的重金属概率统计以概率的形式解释污染等级的占比,能更有效指导风控方案的制定、污... 离散检测数据的重金属生态风险评估往往受采样数据空间覆盖度有限、检测数据随机波动等问题影响,使评价结果具有较大的不确定性.相对而言,基于地方区域的重金属概率统计以概率的形式解释污染等级的占比,能更有效指导风控方案的制定、污染的修复和场地的管控.本文应用Monte-Carlo模拟结合Hakanson潜在生态风险指数法,对云南省内某小流域土壤中的8种重金属(Cd、Hg、As、Pb、Cr、Cu、Ni和Zn)展开调查,分别从单种金属的污染等级、风险等级,以及整个区域的生态风险三个维度阐述当地的污染状况,系统性评估了当地的生态风险.研究表明Cd是主要污染贡献因子,其生态风险应引起重点关注.本研究证实了Monte-Carlo模拟可有效平衡Hakanson潜在生态风险指数法的随机性,将二者结合可更加全面精确地反映重金属的生态风险. 展开更多
关键词 概率统计 monte-carlo模拟 Hakanson潜在生态风险指数法 重金属 生态风险评价
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Monte Carlo Analytic Hierarchy Process (MAHP) approach to selection of optimum mining method 被引量:8
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作者 Ataei Mohammad Shahsavany Hashem Mikaeil Reza 《International Journal of Mining Science and Technology》 SCIE EI 2013年第4期561-566,共6页
One of the most critical and complicated steps in mine design is a selection of suitable mining method based upon geological,geotechnical,geographical,safety and economical parameters.The aim of this study is developi... One of the most critical and complicated steps in mine design is a selection of suitable mining method based upon geological,geotechnical,geographical,safety and economical parameters.The aim of this study is developing a Monte Carlo simulation to selection the optimum mining method by using effective and major criteria and at the same time,taking subjective judgments of decision makers into consideration.Proposed approach is based on the combination of Monte Carlo simulation with conventional Analytic Hierarchy Process(AHP).Monte Carlo simulation is used to determine the confdence level of each alternative’s score,is calculated by AHP,with the respect to the variance of decision makers’opinion.The proposed method is applied for Jajarm Bauxite Mine in Iran and eventually the most appropriate mining methods for this mine are ranked. 展开更多
关键词 Multi-criteria decision making AHP monte carlo simulation Mining method selection
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Monte Carlo Simulations of Density Profiles for Hard-Sphere Chain Fluids Confined Between Surfaces 被引量:2
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作者 王丙强 蔡钧 +1 位作者 刘洪来 胡英 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2001年第2期156-161,共6页
Covering a wide range of bulk densities, density profiles for hard-sphere chain fluids (HSCFs) with chain length of 3,4,8,20,32 and 64 confined between two surfaces were obtained by Monte Carlo simulations using exten... Covering a wide range of bulk densities, density profiles for hard-sphere chain fluids (HSCFs) with chain length of 3,4,8,20,32 and 64 confined between two surfaces were obtained by Monte Carlo simulations using extended continuum configurational-bias (ECCB) method. It is shown that the enrichment of beads near surfaces is happened at high densities due to the bulk packing effect, on the contrary, the depletion is revealed at low densities owing to the configurational entropic contribution. Comparisons with those calculated by density functional theory presented by Cai et al. indicate that the agreement between simulations and predictions is good. Compressibility factors of bulk HSCFs calculated using volume fractions at surfaces were also used to test the reliability of various equations of state of HSCFs by different authors. 展开更多
关键词 硬球链流体 链长 狭缝 密度分布 蒙特卡洛模拟 密度泛函理论 流体力学
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Monte-Carlo Simulation of Surface Crack Growth Rate for Offshore Structural Steel E36-Z35 被引量:1
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作者 Ding, Keqin Liu, Chuntu +1 位作者 Zhao, Junyou Guo, Aiju 《China Ocean Engineering》 SCIE EI 1999年第1期1-10,共10页
The Monte- Carlo method is used to simulate the surface fatigue crack growth rate for offshore structural steel E36-Z35, and to determine the distributions and relevance of the parameters in the Paris equation. By thi... The Monte- Carlo method is used to simulate the surface fatigue crack growth rate for offshore structural steel E36-Z35, and to determine the distributions and relevance of the parameters in the Paris equation. By this method, the time and cost of fatigue crack propagation testing can be reduced. The application of the method is demonstrated by use of four sets of fatigue crack propagation data for offshore structural steel E36-Z35. A comparison of the test data with the theoretical prediction for surface crack growth rate shows the application of the simulation method to the fatigue crack propagation tests is successful. 展开更多
关键词 monte-carlo method simulation surface crack crack growth rate offshore structural steel fatigue crack propagation test
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Implementation of 3D Lattice Monte Carlo Simulation on a Cluster of Symmetric Multiprocessors
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作者 雷咏梅 蒋英 冯捷 《Journal of Shanghai University(English Edition)》 CAS 2002年第4期319-324,共6页
This paper presents a new approach to parallelize 3D lattice Monte Carlo algorithms used in the numerical simulation of polymer on ZiQiang 2000 a cluster of symmetric multiprocessors (SMPs). The combined load for cel... This paper presents a new approach to parallelize 3D lattice Monte Carlo algorithms used in the numerical simulation of polymer on ZiQiang 2000 a cluster of symmetric multiprocessors (SMPs). The combined load for cell and energy calculations over the time step is balanced together to form a single spatial decomposition. Basic aspects and strategies of running Monte Carlo calculations on parallel computers are studied. Different steps involved in porting the software on a parallel architecture based on ZiQiang 2000 running under Linux and MPI are described briefly. It is found that parallelization becomes more advantageous when either the lattice is very large or the model contains many cells and chains. 展开更多
关键词 parallel computing monte carlo method 3D simulation.
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Monte Carlo simulation of sequential structure control of AN-MA-IA aqueous copolymerization by different operation modes
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作者 Tong Qin Zhenhao Xi +1 位作者 Ling Zhao Weikang Yuan 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2022年第6期231-242,共12页
The regulation of polyacrylonitrile(PAN)copolymer composition and sequence structure is the precondition for producing high-quality carbon fiber high quality.In this work,the sequential structure control of acrylonitr... The regulation of polyacrylonitrile(PAN)copolymer composition and sequence structure is the precondition for producing high-quality carbon fiber high quality.In this work,the sequential structure control of acrylonitrile(AN),methyl acrylate(MA)and itaconic acid(IA)aqueous copolymerization was investigated by Monte Carlo(MC)simulation.The parameters used in Monte Carlo were optimized via machine learning(ML)and genetic algorithms(GA)using the experimental data from batch copolymerization.The results reveal that it is difficult to control the aqueous copolymerization to obtain PAN copolymer with uniform sequence structure by batch polymerization with one-time feeding.By contrary,it is found that the PAN copolymer with uniform composition and sequence structure can be obtained by adjusting IA feeding quantity in each reactor of a train of five CSTRs.Hopefully,the results obtained in this work can provide valuable information for the understanding and optimization of AN copolymerization process to obtain high-quality PAN copolymer precursor. 展开更多
关键词 POLYACRYLONITRILE monte carlo simulation Machine learning Genetic algorithms Sequence structure Operation method
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