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Relaxation and local structure changes of a molten Cu57 cluster during rapidly quenching have been studied by molecular dynamics simulation using embedded atom method. With decreasing quenching temperature, atom motion details are analyzed using three factors, including the mean square displacement, incoherent intermediate scattering function, and non-Gaussian parameter, while the local structure changes are identified by pair analysis. Simulation results reveal that after a drastic collective motion of atoms, the temperature greatly affects the relaxation processes of the cooled cluster. At a high quenching temperature, after atoms dramatically move in a β relaxation region, diffusion motion of the atoms plays a dominant roles followed by non-diffusion rearrangements of local atomic structures, and no nucleation occurs. When the temperature decreases, local structure changes of atoms occur as the initial dramatic motion, then through the diffusion of atoms in the α relaxation region, and some unstable icosahedral structures are observed. At a low quenching temperature, the structure changes in the α relaxation region result mainly from non-diffusion rearrangement of the atom positions, and a notable amount of icosahedral structures are formed.
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Keywords:
- cluster /
- molecular dynamics /
- computer simulation /
- surface
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[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］
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[5] ［5］Liu H B， Ascencio J A， Alvarez M P， Yacaman M J 2001 Surf. Sci. 491 88
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[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 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
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[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 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
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