Analysis of gas-surface scattering models based on computational molecular dynamics

被引：28

作者：

Yakunchikov, A. N. ^{[2
]}

Kovalev, V. L. ^{[2
,3
]}

Utyuzhnikov, S. V. ^{[1
,3
]}

机构：

[1] Univ Manchester, Manchester M13 9PL, Lancs, England

[2] Moscow MV Lomonosov State Univ, Moscow 119991, Russia

[3] Moscow Inst Phys & Technol, Moscow 141700, Russia

来源：

CHEMICAL PHYSICS LETTERS | 2012年 / 554卷

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

10.1016/j.cplett.2012.10.030

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The paper is devoted to the comparison of different scattering models for molecular hydrogen interacting with a graphite surface. Such problems occur in many applications related to gas-solid problems in high-altitude-vehicle thermodynamics and nanotechnologies. The scattering kernels by Maxwell, Epstein and Cercignani-Lampis are analyzed for different conditions. A new analytical scattering kernel based on the combination of Epstein and Cercignani-Lampis models is proposed for better agreement with the trajectory computational results. Crown Copyright (C) 2012 Published by Elsevier B.V. All rights reserved.

引用

页码：225 / 230

页数：6

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