Molecular dynamical study of the energy relaxation processes after heating the vibrational degree of freedom in a diatomic molecular crystal

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	Molecular dynamical study of the energy relaxation processes after heating the vibrational degree of freedom in a diatomic molecular crystal
	Chen ZY(陈致英); Ding JQ(丁家强); Tsai TH
刊名	Acta Mechanica Sinica
	1988
卷号	4 期号:4 页码:372-377
关键词	molecular dynamics relaxation molecular crystal
ISSN号	0567-7718
中文摘要	Energy relaxation processes initiated by sudden heating of the vibrational degree of freedom were studied with molecular dynamical method. A unit cell of bcc structure containing 128 diatomite molecules with periodic boundary conditions was considered. Compound Morse potential was assumed as the atom-atom interactions. It was found that the logarithm of the equilibration time depends linearly upon a factor f21 which is proportional to the frequency ratio of the intra- and inter-molecular vibrations.
原文出处	http://ams.cstam.org.cn/EN/Y1988/V4/I4/372#
语种	英语
公开日期	2013-11-06
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/47514]
专题	力学研究所_力学所知识产出(1956-2008)
推荐引用方式 GB/T 7714	Chen ZY,Ding JQ,Tsai TH. Molecular dynamical study of the energy relaxation processes after heating the vibrational degree of freedom in a diatomic molecular crystal[J]. Acta Mechanica Sinica,1988,4(4):372-377.
APA	Chen ZY,Ding JQ,&Tsai TH.(1988).Molecular dynamical study of the energy relaxation processes after heating the vibrational degree of freedom in a diatomic molecular crystal.Acta Mechanica Sinica,4(4),372-377.
MLA	Chen ZY,et al."Molecular dynamical study of the energy relaxation processes after heating the vibrational degree of freedom in a diatomic molecular crystal".Acta Mechanica Sinica 4.4(1988):372-377.