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题名: One-Dimensional Steady Transport by Molecular Dynamics Simulation: Non-Boltzmann Position Distribution and Non-Arrhenius Dynamical Behavior
作者: Shi, R ;  Wang, YT
刊名: COMMUNICATIONS IN THEORETICAL PHYSICS
出版日期: 2014
卷号: 62, 期号:4, 页码:579-588
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
学科分类: Physics
通讯作者: Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
部门归属: [Shi Rui ;  Wang Yan-Ting] Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China
英文摘要: 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.
资助者: National Basic Research Program of China 973 Program [2013CB932804]; National Natural Science Foundation of China [11274319, 11121403]
收录类别: SCI
语种: 英语
WOS记录号: WOS:000345826400015
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/15638
Appears in Collections:理论物理所2014年知识产出 _期刊论文

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Recommended Citation:
Shi, R,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.
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