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The effects of initial temperature and cooling rate on the freezing behaviors of clusters Co531, Cu531, and Ni531 are studied by the molecular dynamics with a general embedded atom method. The results show that their freezing points are obviously influenced by initial temperature and cooling rate. Higher initial temperature or smaller cooling rate results in a higher freezing point. The variations of freezing structures for all clusters with the change of freezing condition are different. The icosahedron is formed for Cu531 and Ni531 in spite of their different freezing points. The HCP structure similar to the Co bulk is formed for Co531 under higher initial temperature and smaller cooling rate, the icosahedron is formed for other conditions.
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Keywords:
- cluster /
- freezing /
- molecular dynamics
[1] Wilcoxon J P, Abrams B L 2006 Chem. Soc. Rev. 35 1162
[2] Wang G H 2003 Cluster Physics (Shanghai: Shanghai Science & Technology Press) (in Chinese) [王广厚 2003 团簇物理学 (上海:上海科学技术出版社)]
[3] Wang W C 2002 Understanding Molecular Simulation-From Algorithms to Applications (Beijing: Chemical Industry Press) (in Chinese) [汪文川 2002 分子模拟—从算法到应用 (北京:化学工业出版社)]
[4] Chushak Y G, Bartell L S 2003 J. Phys. Chem. B 107 3747
[5] Yang Q W, Zhu R Z 2005 Acta Phys. Sin. 54 4245 (in Chinese) [杨全文、 朱如曾 2005 54 4245]
[6] Zhou L L, Liu R S, Hou Z Y, Tian Z A, Lin Y, Liu Q H 2008 Acta Phys. Sin. 57 3653 (in Chinese) [周丽丽、 刘让苏、 侯兆阳、 田泽安、 林 艳、 刘全慧 2008 57 3653]
[7] Nanda K K, Sahu S N, Behera S N 2002 Phys. Rev. A 66 013208
[8] Nam H S, Hwang N M, Yu B D, Yoon J K 2002 Phys. Rev. Lett. 89 275502
[9] Cheng D J, Cao D P 2008 Chem. Phys. Lett. 461 71
[10] Sankaranarayanan S K R S, Bhethanabotla V R, Joseph B 2005 Phys. Rev. B 71 195415
[11] Li G J, Wang Q, Li D G, Lü X, He J C 2008 Phys. Lett. A 372 6764
[12] Li G J, Wang Q, Li D G, Lü X, He J C 2009 Mater. Chem. Phys. 114 746
[13] Li G J, Wang Q, Li H T, Wang K, He J C 2008 Chin. Phys. B 17 3343
[14] Wang Q, Li G J, Li D G, Lü X, He J C 2009 Chin. Phys. B 18 1843
[15] Lewis L J, Jensen P, Barrat J L 1997 Phys. Rev. B 56 2248
[16] Li G J, Wang Q, Wang K, Liu T, Li D G, He J C 2009 Model. Simul. Mater. Sc. 17 055005
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[1] Wilcoxon J P, Abrams B L 2006 Chem. Soc. Rev. 35 1162
[2] Wang G H 2003 Cluster Physics (Shanghai: Shanghai Science & Technology Press) (in Chinese) [王广厚 2003 团簇物理学 (上海:上海科学技术出版社)]
[3] Wang W C 2002 Understanding Molecular Simulation-From Algorithms to Applications (Beijing: Chemical Industry Press) (in Chinese) [汪文川 2002 分子模拟—从算法到应用 (北京:化学工业出版社)]
[4] Chushak Y G, Bartell L S 2003 J. Phys. Chem. B 107 3747
[5] Yang Q W, Zhu R Z 2005 Acta Phys. Sin. 54 4245 (in Chinese) [杨全文、 朱如曾 2005 54 4245]
[6] Zhou L L, Liu R S, Hou Z Y, Tian Z A, Lin Y, Liu Q H 2008 Acta Phys. Sin. 57 3653 (in Chinese) [周丽丽、 刘让苏、 侯兆阳、 田泽安、 林 艳、 刘全慧 2008 57 3653]
[7] Nanda K K, Sahu S N, Behera S N 2002 Phys. Rev. A 66 013208
[8] Nam H S, Hwang N M, Yu B D, Yoon J K 2002 Phys. Rev. Lett. 89 275502
[9] Cheng D J, Cao D P 2008 Chem. Phys. Lett. 461 71
[10] Sankaranarayanan S K R S, Bhethanabotla V R, Joseph B 2005 Phys. Rev. B 71 195415
[11] Li G J, Wang Q, Li D G, Lü X, He J C 2008 Phys. Lett. A 372 6764
[12] Li G J, Wang Q, Li D G, Lü X, He J C 2009 Mater. Chem. Phys. 114 746
[13] Li G J, Wang Q, Li H T, Wang K, He J C 2008 Chin. Phys. B 17 3343
[14] Wang Q, Li G J, Li D G, Lü X, He J C 2009 Chin. Phys. B 18 1843
[15] Lewis L J, Jensen P, Barrat J L 1997 Phys. Rev. B 56 2248
[16] Li G J, Wang Q, Wang K, Liu T, Li D G, He J C 2009 Model. Simul. Mater. Sc. 17 055005
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