-
采用基于嵌入原子方法的正则系综分子动力学研究熔融Cu57团簇在急冷过程中的弛豫及其局域结构变化.通过对弛豫过程中均方位移、非相干中间散射函数和非Gauss参数三种函数和原子键对随急冷温度不同所发生变化的分析表明,在经过短时间的原子剧烈运动后,急冷温度极大地影响着团簇内原子结构弛豫过程.急冷温度较高时,原子在经历短时间剧烈运动的β弛豫后,进入α弛豫区后以扩散运动为主,随后原子运动表现为非扩散性的原子局域结构重排,团簇内没有出现明显的成核结构.随着温度的降低,原子局域结构的变化在经过短时间原子剧烈运动的β弛豫后,在α弛豫区原子运动表现为扩散性运动,并出现一定数量的不稳定二十面体结构.当急冷温度很低时,在进入α弛豫区后,团簇结构变化逐渐表现为非扩散性原子局域结构重排,形成相当数量的稳定成核二十面体结构.
[1] [1]Quan H J, Gong X G 2000 Chin. Phys. 9 656
[2] [2]Li T X, Ji Y L, Yu S W, Wang G H 2000 Solid State Commun. 116 547
[3] [3]Xu S N, Zhang L, Zhang C B, Qi Y 2007 Acta Metall. Sin. 43 379(in Chinese)[徐送宁、 张林、 张彩碚、 祁阳 2007 金属学报 43 379]
[4] [4]Wu H, Desai S R, Wang L S 1996 Phys. Rev. Lett. 77 2436
[5] [5]Liu H B, Ascencio J A, Alvarez M P, Yacaman M J 2001 Surf. Sci. 491 88
[6] [6]Bengtzelius U, Gtze W, Sjlander A 1984 J. Phys. C 17 5915
[7] [7]Leutheusser E 1984 Phys. Rev. A 29 2765
[8] [8]Kob W, Andersen H C 1995 Phys. Rev. B 22 4
[9] [9]Kob W, Andersen H C 1995 Phys. Rev. E 51 5
[10] ]Tokuyama M 2006 Physica A 23 62
[11] ]Pang H, Jin Z H, Lu K 2003 Phys. Rev. B 67 094113
[12] ]Kob W, Donati C, Plimpton S J, Poole P H, Glotzer S 1997 Phys. Rev. Lett. 79 15
[13] ]Donati C, Glotzer S C, Poole P H, Kob W, Plimpton S J 1999 Phys. Rev. E 60 3
[14] ]Gleim T, Kob W, Binder K 1998 Phys. Rev. Lett. 81 20
[15] ]Zhang L, Zhang C B, Qi Y 2007 Chin. Phys. 16 77
[16] ]Yang Q W, Zhu R Z, Wen Y H 2005 Acta Phys. Sin. 54 89 (in Chinese) [杨全文、 朱如曾、 文玉华 2005 物理学报 54 89]
[17] ]Zhang L, Zhang C B, Qi Y 2008 Phys. Lett. A 372 2874
[18] ]Zhang L, Zhang C B, Qi Y 2009 Physica B 404 205
[19] ]Zhang L, Sun H X 2009 Solid State Commun. 149 1722
[20] ]Zhang L, Sun H X 2009 Chin. J. Chem. Phys. 22 69
[21] ]Mei J, Davenport J W, Fernado G W 1991 Phys. Rev. B 43 4653
[22] ]Honeycutt J D, Andersen H C 1987 J. Phys. Chem. 91 4950
[23] ]Clarke A S, Jonsson H 1993 Phys. Rev. E 47 3975
-
[1] [1]Quan H J, Gong X G 2000 Chin. Phys. 9 656
[2] [2]Li T X, Ji Y L, Yu S W, Wang G H 2000 Solid State Commun. 116 547
[3] [3]Xu S N, Zhang L, Zhang C B, Qi Y 2007 Acta Metall. Sin. 43 379(in Chinese)[徐送宁、 张林、 张彩碚、 祁阳 2007 金属学报 43 379]
[4] [4]Wu H, Desai S R, Wang L S 1996 Phys. Rev. Lett. 77 2436
[5] [5]Liu H B, Ascencio J A, Alvarez M P, Yacaman M J 2001 Surf. Sci. 491 88
[6] [6]Bengtzelius U, Gtze W, Sjlander A 1984 J. Phys. C 17 5915
[7] [7]Leutheusser E 1984 Phys. Rev. A 29 2765
[8] [8]Kob W, Andersen H C 1995 Phys. Rev. B 22 4
[9] [9]Kob W, Andersen H C 1995 Phys. Rev. E 51 5
[10] ]Tokuyama M 2006 Physica A 23 62
[11] ]Pang H, Jin Z H, Lu K 2003 Phys. Rev. B 67 094113
[12] ]Kob W, Donati C, Plimpton S J, Poole P H, Glotzer S 1997 Phys. Rev. Lett. 79 15
[13] ]Donati C, Glotzer S C, Poole P H, Kob W, Plimpton S J 1999 Phys. Rev. E 60 3
[14] ]Gleim T, Kob W, Binder K 1998 Phys. Rev. Lett. 81 20
[15] ]Zhang L, Zhang C B, Qi Y 2007 Chin. Phys. 16 77
[16] ]Yang Q W, Zhu R Z, Wen Y H 2005 Acta Phys. Sin. 54 89 (in Chinese) [杨全文、 朱如曾、 文玉华 2005 物理学报 54 89]
[17] ]Zhang L, Zhang C B, Qi Y 2008 Phys. Lett. A 372 2874
[18] ]Zhang L, Zhang C B, Qi Y 2009 Physica B 404 205
[19] ]Zhang L, Sun H X 2009 Solid State Commun. 149 1722
[20] ]Zhang L, Sun H X 2009 Chin. J. Chem. Phys. 22 69
[21] ]Mei J, Davenport J W, Fernado G W 1991 Phys. Rev. B 43 4653
[22] ]Honeycutt J D, Andersen H C 1987 J. Phys. Chem. 91 4950
[23] ]Clarke A S, Jonsson H 1993 Phys. Rev. E 47 3975
引用本文: |
Citation: |
计量
- 文章访问数: 3723
- PDF下载量: 974
- 被引次数: 0