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Analysis of transport properties determined by Langevin dynamics using Green-Kubo formulae
Zhang J(张俊); Zeng DD; Fan J(樊菁); Zhang, J (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China.
Source PublicationPHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
2014-10-01
Volume411Pages:104-112
ISSN0378-4371
AbstractRecently, the Langevin dynamics method has been applied to simulate gas flows. It is very crucial to evaluate whether the Langevin dynamics could correctly predict transport properties of gas or not. In this paper, the transport properties of Langevin velocity model and acceleration model are analyzed by using Green-Kubo formulae. For the Langevin velocity model, the time correlation functions have the exact exponent forms, and the Prandtl number for monatomic gas is predicted to be 3/2. For the Langevin acceleration model with an additional time scale, the molecular movements change from Markovian process to Non-Markovian process, and the Prandtl number could be adjusted to some extent. In the limit of equilibrium, there is a minimum about 1.298 for the Prandtl number of monatomic gas when the two time scales are equal in Langevin acceleration model. Besides theoretical analyses, molecular simulations according to the Langevin velocity model and acceleration model are performed, and the simulation results validate our analytical solutions. (C) 2014 Elsevier B.V. All rights reserved.
KeywordDsmc Langevin Dynamics Green-kubo Formulae Transport Coefficients
Subject AreaPhysics
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Indexed BySCI ; EI
Language英语
WOS IDWOS:000340330300012
Funding OrganizationThis work was supported by the National Natural Science Foundation of China (Grant Nos. 11002147 and 11372325).
DepartmentLHD微尺度和非平衡流动
Classification二类/Q2
Citation statistics
Cited Times:13[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/49097
Collection高温气体动力学国家重点实验室
Corresponding AuthorZhang, J (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China.
Recommended Citation
GB/T 7714
Zhang J,Zeng DD,Fan J,et al. Analysis of transport properties determined by Langevin dynamics using Green-Kubo formulae[J]. PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS,2014,411:104-112.
APA Zhang J,Zeng DD,Fan J,&Zhang, J .(2014).Analysis of transport properties determined by Langevin dynamics using Green-Kubo formulae.PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS,411,104-112.
MLA Zhang J,et al."Analysis of transport properties determined by Langevin dynamics using Green-Kubo formulae".PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS 411(2014):104-112.
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