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Molecular dynamics simulations are performed on nano clusters with 500 nickle atoms (Ni500) to determine the structure and dynamics in the isothermal crystallization using embed atom model potentials. Through the study of nano Ni cluster dynamic behavior, we find that multi-step crystallization process of Ni500 is at temperatures far below the melting temperature (Tm), whereas one-step crystallization process is at the temperatures just below Tm. Multi metastable states are observed before Ni500 becomes fully crystallized in multi-step crystallization process. We find that atom rearrangements take not only string-like cooperative motion manner but also other collective motion manner.
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Keywords:
- molecular dynamics simulation /
- Ni nanocluster /
- cooperative motion
[1] Yang Q W, Zhu R Z 2005 Acta Phys. Sin. 54 89 (in Chinese) [杨全文, 朱如曾 2005 54 89]
[2] Gafner Y Y, Gafner S L 2004 Phys. Sol. State. 46 1327
[3] Zhang Y N, Wang L, Bian X F 2003 J. Acta Phys. Chim. Sin. 19 35 (in Chinese) [张妍宁, 王丽, 边秀房 2003 19 35]
[4] Gafner S L, Redel L V 2008 Physics 72 1382
[5] Asuquo C C, Bowles R K 2012 J. Phys. Chem. C 116 14619
[6] Mendez-Villuendas E, Bowles R K 2007 Phys. Rev. Lett. 98 185503
[7] Chen Q, Sun M H 2012 Acta Phys. Sin. 61 146101 (in Chinese) [陈青, 孙民华 2012 61 146101]
[8] Chen Q, Sun M H 2013 Acta Phys. Sin. 62 036101 (in Chinese) [陈青, 孙民华 2013 62 036101]
[9] Honeycutt J D, Andersen H C 1987 J. Phys. Chem. 91 4950
[10] Qi W, Wang M 2004 Mater. Chem. Phys. 88 280
[11] Alavi S, Thompson D L 2006 J. Phys. Chem. A 110 1518
[12] Zhou L L, Liu R S 2012 Physica B: Condensed Matter 407 240
[13] Li F, Liu X J, Hou H Y 2011 Intermetallics 19 630
[14] Liu R S, Qin S P, Hou Z Y, Chen X Y, Liu F X 2004 Acta Phys. Sin. 53 3124 (in Chinese) [刘让苏, 覃树萍, 侯兆阳, 陈晓莹, 刘凤翔 2004 53 3124]
[15] Zhao J Z, Liu J, Zhao Y 2007 Acta Phys. Sin. 56 445 (in Chinese) [赵九洲, 刘俊, 赵毅 2007 56 445]
[16] Donati C, Douglas J F, Kob W, Plimpton S J, Poole P H, Glotzer S C 1998 Phys. Rev. Lett. 80 2338
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[1] Yang Q W, Zhu R Z 2005 Acta Phys. Sin. 54 89 (in Chinese) [杨全文, 朱如曾 2005 54 89]
[2] Gafner Y Y, Gafner S L 2004 Phys. Sol. State. 46 1327
[3] Zhang Y N, Wang L, Bian X F 2003 J. Acta Phys. Chim. Sin. 19 35 (in Chinese) [张妍宁, 王丽, 边秀房 2003 19 35]
[4] Gafner S L, Redel L V 2008 Physics 72 1382
[5] Asuquo C C, Bowles R K 2012 J. Phys. Chem. C 116 14619
[6] Mendez-Villuendas E, Bowles R K 2007 Phys. Rev. Lett. 98 185503
[7] Chen Q, Sun M H 2012 Acta Phys. Sin. 61 146101 (in Chinese) [陈青, 孙民华 2012 61 146101]
[8] Chen Q, Sun M H 2013 Acta Phys. Sin. 62 036101 (in Chinese) [陈青, 孙民华 2013 62 036101]
[9] Honeycutt J D, Andersen H C 1987 J. Phys. Chem. 91 4950
[10] Qi W, Wang M 2004 Mater. Chem. Phys. 88 280
[11] Alavi S, Thompson D L 2006 J. Phys. Chem. A 110 1518
[12] Zhou L L, Liu R S 2012 Physica B: Condensed Matter 407 240
[13] Li F, Liu X J, Hou H Y 2011 Intermetallics 19 630
[14] Liu R S, Qin S P, Hou Z Y, Chen X Y, Liu F X 2004 Acta Phys. Sin. 53 3124 (in Chinese) [刘让苏, 覃树萍, 侯兆阳, 陈晓莹, 刘凤翔 2004 53 3124]
[15] Zhao J Z, Liu J, Zhao Y 2007 Acta Phys. Sin. 56 445 (in Chinese) [赵九洲, 刘俊, 赵毅 2007 56 445]
[16] Donati C, Douglas J F, Kob W, Plimpton S J, Poole P H, Glotzer S C 1998 Phys. Rev. Lett. 80 2338
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