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Theoretically predicting probabilities of the various isomers in the cluster growth is important because of the difficulty in characterizing structure of clusters. Considering that relative abundance of each isomer formed at high temperature could be obtained through molecular dynamics，what the problem comes down to is how these isomers transform from one to another at room temperature. We developed a statistical mechanics model，and obtained the analytic relationship between the temperature and the transformation time from one isomer to another. Taking cluster C12 as an example，it is shown that the time for the most probable isomer formed at 2500 K turning into the isomer with the lowest potential energy at room temperature is longer than.
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Keywords:
- cluster /
- isomer /
- statistical physics /
- MD
[1] ［1］ Zhao W J，Wang Q L，Ren F Z，Luo Y H 2007 Acta. Phys. Sin. 56 5746 (in Chinese) ［赵文杰、王清林、任凤竹、罗有华 2007 物理学报 56 5746］
[2] ［2］ Kirkpatrick S，Gelatt C D，Vecchi M P 1983 Science 220 671
[3] ［3］ Deaven D M，Ho K M 1995 Phys. Rev. Lett. 75 288
[4] ［4］ Freeman D L，Doll J D 1984 J. Chem. Phys. 82 462
[5] ［5］ Ning X J，Qin Q Z 1999 J. Chem. Phys. 110 4920
[6] ［6］ Zhou S Y，Wang Y，Ning X J 2008 Acta. Phys. Sin. 57 387 (in Chinese) ［周诗韵、王音、宁西京 2008 物理学报 57 387］
[7] ［7］ Gao J，Lin Z Z，Ning X J 2007 J. Chem. Phys. 126 174309
[8] ［8］ Kosimov D P，Dzhurakhalov A A，Peeters F M 2008 Phys. Rev. B 78 235433
[9] ［9］ Sheng Y，Ning X J，Li P 2004 J. Chem. Phys.121 2013
[10] ］Gong X F，Wang Y，Ning X J 2008 Chin. Phys. Lett. 25 468
[11] ］Li P，Ning X J 2004 J. Chem. Phys. 121 7701
[12] ］Brenner D W 1990 Phys. Rev. B 42 9458
[13] ］Merle E R，Michael E C 1988 J. Chem. Phys. 88 5934
[14] ］Yamaguchi Y，Maruyama S 1998 Chem. Phys. Lett. 286 336
[15] ］Maruyama S，Yamaguchi Y 1998 Chem. Phys. Lett. 286 343
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[1] ［1］ Zhao W J，Wang Q L，Ren F Z，Luo Y H 2007 Acta. Phys. Sin. 56 5746 (in Chinese) ［赵文杰、王清林、任凤竹、罗有华 2007 物理学报 56 5746］
[2] ［2］ Kirkpatrick S，Gelatt C D，Vecchi M P 1983 Science 220 671
[3] ［3］ Deaven D M，Ho K M 1995 Phys. Rev. Lett. 75 288
[4] ［4］ Freeman D L，Doll J D 1984 J. Chem. Phys. 82 462
[5] ［5］ Ning X J，Qin Q Z 1999 J. Chem. Phys. 110 4920
[6] ［6］ Zhou S Y，Wang Y，Ning X J 2008 Acta. Phys. Sin. 57 387 (in Chinese) ［周诗韵、王音、宁西京 2008 物理学报 57 387］
[7] ［7］ Gao J，Lin Z Z，Ning X J 2007 J. Chem. Phys. 126 174309
[8] ［8］ Kosimov D P，Dzhurakhalov A A，Peeters F M 2008 Phys. Rev. B 78 235433
[9] ［9］ Sheng Y，Ning X J，Li P 2004 J. Chem. Phys.121 2013
[10] ］Gong X F，Wang Y，Ning X J 2008 Chin. Phys. Lett. 25 468
[11] ］Li P，Ning X J 2004 J. Chem. Phys. 121 7701
[12] ］Brenner D W 1990 Phys. Rev. B 42 9458
[13] ］Merle E R，Michael E C 1988 J. Chem. Phys. 88 5934
[14] ］Yamaguchi Y，Maruyama S 1998 Chem. Phys. Lett. 286 336
[15] ］Maruyama S，Yamaguchi Y 1998 Chem. Phys. Lett. 286 343
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