IMECH-IR  > 力学所知识产出(1956-2008)
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
Source PublicationActa Mechanica Sinica
1988
Volume4Issue:4Pages:372-377
ISSN0567-7718
Abstract  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.
KeywordMolecular Dynamics Relaxation Molecular Crystal
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Language英语
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/47514
Collection力学所知识产出(1956-2008)
Recommended Citation
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.
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