ITP OpenIR  > 理论物理所科研产出  > SCI期刊论文
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
Source PublicationCOMMUNICATIONS IN THEORETICAL PHYSICS
Language英语
KeywordTilted Periodic Potentials Temperature Ionic Liquids Molten Sodium-chloride Electrostatic Fields Electric-field Nonequilibrium Trajectories Diffusion-coefficients Conductivity Spectra Polymer Electrolytes Electrophoretic Nmr
AbstractA 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
Volume62Issue:4Pages:579-588
Subject AreaPhysics
Indexed BySCI
Funding OrganizationNational 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]
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Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/15638
Collection理论物理所科研产出_SCI期刊论文
Corresponding AuthorWang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
Recommended Citation
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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