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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
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| Source Publication | Acta Mechanica Sinica
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| 1988 | |
| Volume | 4Issue:4Pages:372-377 |
| ISSN | 0567-7718 |
| 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. |
| Keyword | Molecular Dynamics Relaxation Molecular Crystal |
| URL | 查看原文 |
| Language | 英语 |
| Document Type | 期刊论文 |
| Identifier | http://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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