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Shi, R; Wang, YT; Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
One-Dimensional Steady Transport by Molecular Dynamics Simulation: Non-Boltzmann Position Distribution and Non-Arrhenius Dynamical Behavior
发表期刊COMMUNICATIONS IN THEORETICAL PHYSICS
语种英语
关键词Tilted Periodic Potentials Temperature Ionic Liquids Molten Sodium-chloride Electrostatic Fields Electric-field Nonequilibrium Trajectories Diffusion-coefficients Conductivity Spectra Polymer Electrolytes Electrophoretic Nmr
摘要A non-equilibrium steady state can be characterized by a nonzero but stationary flux driven by a static external force. Under a weak external force, the drift velocity is difficult to detect because the drift motion is feeble and submerged in the intense thermal diffusion. In this article, we employ an accurate method in molecular dynamics simulation to determine the drift velocity of a particle driven by a weak external force in a one-dimensional periodic potential. With the calculated drift velocity, we found that the mobility and diffusion of the particle obey the Einstein relation, whereas their temperature dependences deviate from the Arrhenius law. A microscopic hopping mechanism was proposed to explain the non-Arrhenius behavior. Moreover, the position distribution of the particle in the potential well was found to deviate from the Boltzmann equation in a non-equilibrium steady state. The non-Boltzmann behavior may be attributed to the thermostat which introduces an effective "viscous" drag opposite to the drift direction of the particle.
2014
ISSN0253-6102
卷号62期号:4页码:579-588
学科领域Physics
收录类别SCI
项目资助者National Basic Research Program of China 973 Program [2013CB932804]; National Natural Science Foundation of China [11274319, 11121403] ; National Basic Research Program of China 973 Program [2013CB932804]; National Natural Science Foundation of China [11274319, 11121403] ; National Basic Research Program of China 973 Program [2013CB932804]; National Natural Science Foundation of China [11274319, 11121403] ; National Basic Research Program of China 973 Program [2013CB932804]; National Natural Science Foundation of China [11274319, 11121403]
引用统计
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/15638
专题理论物理所科研产出_SCI论文
通讯作者Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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GB/T 7714
Shi, R,Wang, YT,Wang, YT . One-Dimensional Steady Transport by Molecular Dynamics Simulation: Non-Boltzmann Position Distribution and Non-Arrhenius Dynamical Behavior[J]. COMMUNICATIONS IN THEORETICAL PHYSICS,2014,62(4):579-588.
APA Shi, R,Wang, YT,&Wang, YT .(2014).One-Dimensional Steady Transport by Molecular Dynamics Simulation: Non-Boltzmann Position Distribution and Non-Arrhenius Dynamical Behavior.COMMUNICATIONS IN THEORETICAL PHYSICS,62(4),579-588.
MLA Shi, R,et al."One-Dimensional Steady Transport by Molecular Dynamics Simulation: Non-Boltzmann Position Distribution and Non-Arrhenius Dynamical Behavior".COMMUNICATIONS IN THEORETICAL PHYSICS 62.4(2014):579-588.
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