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.
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页码：225 / 230
页数：6
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