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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
发表期刊Acta Mechanica Sinica
1988
卷号4期号:4页码:372-377
ISSN0567-7718
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.
关键词Molecular Dynamics Relaxation Molecular Crystal
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语种英语
文献类型期刊论文
条目标识符http://dspace.imech.ac.cn/handle/311007/47514
专题力学所知识产出(1956-2008)
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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.
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