Development of non-equilibrium molecular dynamics simulation of gas separation through carbon membranes;
非平衡分子动力学模拟在炭膜气体分离中的研究进展
Optimization Methods for Some Non-equilibrium Molecular Dynamics Simulations
一类非平衡分子动力学模拟中优化方法的研究
Thermal conductivities of Si, Ge,Si/Ge core-shell and Si/Ge super-lattice nanowires at different temperature were simulated by the non-equilibrium molecular dynamics method, the relationship of temperature and thermal conductivity of nanowires was drawn and their thermal properties were compared.
采用非平衡分子动力学方法模拟了Si纳米线、Ge纳米线、核-壳结构的Si/Ge纳米线及超晶格结构的Si/Ge纳米线的导热系数,给出了纳米线的温度与导热系数关系曲线,对比了几种纳米线导热特性的差异,研究结果表明,随着温度的升高,各纳米线的导热系数降低;相同温度下,纳米线导热系数的大小顺序为:核-壳结构的Si/Ge纳米线、超晶格结构的Si/Ge纳米线、Si纳米线、Ge纳米线。
A nonequilibrium molecular dynamics simulation(NEMD)was carried out to investigate transport and separation of a binary mixture of CH_4 and CO_2 in a tubular carbon membrane using a slit pore model determined in the presence of an external chemical poten- tial.
通过建立单孔狭缝模型,采用非平衡分子动力学方法研究CH_4/CO_2二元气体混合物通过管状炭膜的传递和分离特性,考察了系统温度、气体组成和膜孔径对通量的影响。
Physical properties of liquid Co by EMD and NEMD method;
液态Co物性的平衡及非平衡分子动力学模拟(英文)
The EMD is used to calculate the nanometer thin film thermal conductivity of diamond crystal at crystal direction(001),and the NEMD is used to calculate the nanometer thin film thermal conductivity of diamond crystal at crystal direction(111).
采用平衡分子动力学的方法(EMD)模拟了晶向(001)的金刚石纳米薄膜法向热导率;采用非平衡分子动力学(NEMD)方法模拟了晶向(111)的金刚石法向热导率。
In accordance with the “minimized nucleus” requirement of the satellite,the thermal conductivity of the dielectric FCC argon-crystal nano_film in the normal direction is predicted using the equilibrium molecular dynamic (EMD) and non-equilibrium molecular dynamic (NEMD) methods.
以结构较为简单、具有可靠势能函数,实验数据较为丰富和可靠的氩的(fcc)晶体为模型,采用平衡分子动力学方法(EMD)和各向异性非平衡分子动力学方法(NEMD)计算了氩晶体及其法向薄膜的热导率,并与实验结果进行比较。
Physical properties of liquid Co by EMD and NEMD method;
液态Co物性的平衡及非平衡分子动力学模拟(英文)
The EMD is used to calculate the nanometer thin film thermal conductivity of diamond crystal at crystal direction(001),and the NEMD is used to calculate the nanometer thin film thermal conductivity of diamond crystal at crystal direction(111).
采用平衡分子动力学的方法(EMD)模拟了晶向(001)的金刚石纳米薄膜法向热导率;采用非平衡分子动力学(NEMD)方法模拟了晶向(111)的金刚石法向热导率。
In accordance with the “minimized nucleus” requirement of the satellite,the thermal conductivity of the dielectric FCC argon-crystal nano_film in the normal direction is predicted using the equilibrium molecular dynamic (EMD) and non-equilibrium molecular dynamic (NEMD) methods.
以结构较为简单、具有可靠势能函数,实验数据较为丰富和可靠的氩的(fcc)晶体为模型,采用平衡分子动力学方法(EMD)和各向异性非平衡分子动力学方法(NEMD)计算了氩晶体及其法向薄膜的热导率,并与实验结果进行比较。
Non-equilibrium Molecular Dynamics Simulation of Gas Separation Through Carbon Membranes;
非平衡分子动力学在炭膜气体分离中的研究
Optimization Methods for Some Non-equilibrium Molecular Dynamics Simulations
一类非平衡分子动力学模拟中优化方法的研究
Research into Non-Equilibrium State in GeO_2 Glass with Molecular Dynamics Simulation;
分子动力学模拟研究GeO_2玻璃的非平衡态
non-equilibrium reaction kinetics
非平衡态反应动力学
A Dissipative Particle Dynamics Study of Block Copolymer in Non-Equilibrium State
嵌段共聚物的非平衡态耗散粒子动力学研究
Non-equilibrium plasma decomposition reaction kinetics model of gaseous pollutant
非平衡等离子体降解气态污染物反应动力学模型
Compared Analysis with Non-Equilibrium Statistic Theory for the Degree Distribution of Complex Dynamic Scale-Free Networks;
复杂动态无标度网络度分布的非平衡统计力学对比分析
ANALYSIS ON THE BALANCE OF THE ROADS AND POPULATION IN THE CITIES BASED ON THE NONLINEAR DYNAMIC MODEL;
基于非线性动力学模式的城市道路与人口的平衡分析
Construction and analysis of nonlinear dynamic model for earth pressure balance type shield hydraulic thrust systems
土压平衡式液压盾构推进系统的非线性动力学建模及分析
Dynamic analysis on balance performance of Wushu routine;
武术套路若干平衡动作的动力学分析
The thermal equilibrium solution of bipolar quantum hydrodynamic model
双极量子流体动力学模型的热平衡解
Analysis of Transient Response of Flexible Jeffcott Rotor;
单盘转子不平衡的瞬态动力响应分析
Phase Equilibria of N_2O_4-N_2O_5-HNO_3 System and Kinetics of N_2O_5 Decomposition
N_2O_4-N_2O_5-HNO_3体系相平衡及N_2O_5分解动力学
Stability of the Non-equilibrium Binary Alloy Phase Studied by Lattice Dynamics;
二元非平衡合金相稳定性的晶格动力学研究
Dynamic Mechanism of Unbalancing Response of Rotor Controlled by Balls Automatically
滚珠自动控制转子不平衡响应的动力学机理
CREK = combustion reaction equilibrium and kinetics
燃烧反应平衡动力学
Kinetic Analysis and Dynamic Balancing Technics of the Rice Mill Shafts;
碾米机主轴部件的动力学分析及动平衡工艺
Theory of Non-Equilibrium Thermodynamics and Its Application for Field of River Dynamics
非平衡态热力学理论在河流动力学领域中的应用