One-Dimensional Steady Transport by Molecular Dynamics Simulation: Non-Boltzmann Position Distribution and Non-Arrhenius Dynamical Behavior
文献类型：期刊论文
| 作者 | Wang, YT
|
| 刊名 | COMMUNICATIONS IN THEORETICAL PHYSICS
 |
| 出版日期 | 2014 |
| 卷号 | 62期号:4页码:579-588 |
| ISSN号 | 0253-6102 |
| 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 |
| 通讯作者 | Wang, YT (reprint author), 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. |
| 学科主题 | Physics |
| 资助信息 | 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 |
| 公开日期 | 2015-06-03 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/15638]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 |
| 推荐引用方式 GB/T 7714 | 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 | 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 | Wang, YT."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. |
入库方式： OAI收割
来源：理论物理研究所
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