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Langevin dynamics with energy dissipation on periodic lattice structures modeling as an equivalent two-body method for atom-surface interactions
Zeng DD(曾丹丹); Liu C(刘崇); Jiang JZ(蒋建政); Fan J(樊菁)
Source PublicationMATERIALS RESEARCH EXPRESS
2019-12-01
Volume6Issue:12Pages:125507
ISSN2053-1591
AbstractIn this work, we propose a classical equivalent two-body (ETB) model that can capture more detailed dynamic features arising from energy dissipation and atom oscillations, by introducing the Langevin equation of a harmonic oscillator. The trapping probability, scattering angle and the residence time of Ar interacting with Pt (111) and W (110) surfaces predicted by the ETB model agree well with the measured experimental data or molecular dynamics simulations. Moreover, the ETB model is also used to study the influence of oscillating and dissipating properties on the thermal accommodation coefficients and rainbow scattering of gas atoms colliding with the surface. It is found that the dependence of energy accommodation coefficients and rainbow scattering on the oscillating and dissipating parameters shows nonlinear behaviors, and the associated mechanisms are disclosed. ETB model further provides the possibility to explore the physics beyond the existing two-body models for a better description of energy transferring during atom surface interactions.
Keywordatom-surface interactions trapping probability scattering angle residence time dissipating parameters energy accommodation coefficients
DOI10.1088/2053-1591/ab550f
Indexed BySCI ; EI
Language英语
WOS IDWOS:000499379300001
WOS KeywordCLASSICAL-THEORY ; RAINBOW SCATTERING ; CARBON NANOTUBES ; STAINLESS-STEEL ; GAS ATOMS ; SIMULATION ; DESORPTION ; ACCOMMODATION ; PROBABILITY ; ADSORPTION
WOS Research AreaMaterials Science, Multidisciplinary
WOS SubjectMaterials Science
Funding OrganizationNational Natural Science Foundation of ChinaNational Natural Science Foundation of China [11302227] ; Youth Innovation Promotion Association CAS [2015014] ; Strategic Priority Research Program of the Chinese Academy of SciencesChinese Academy of Sciences
ClassificationQ3
Ranking1
ContributorLiu, C ; Fan, J (reprint author)
Citation statistics
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/80786
Collection高温气体动力学国家重点实验室
Affiliation1.Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Acad Opto Elect, Beijing 100094, Peoples R China
3.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Zeng DD,Liu C,Jiang JZ,et al. Langevin dynamics with energy dissipation on periodic lattice structures modeling as an equivalent two-body method for atom-surface interactions[J]. MATERIALS RESEARCH EXPRESS,2019,6(12):125507.
APA Zeng DD,刘崇,蒋建政,&樊菁.(2019).Langevin dynamics with energy dissipation on periodic lattice structures modeling as an equivalent two-body method for atom-surface interactions.MATERIALS RESEARCH EXPRESS,6(12),125507.
MLA Zeng DD,et al."Langevin dynamics with energy dissipation on periodic lattice structures modeling as an equivalent two-body method for atom-surface interactions".MATERIALS RESEARCH EXPRESS 6.12(2019):125507.
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