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We have used molecular dynamics method with quantum corrected Sutton-Chen type many-body potentials to study the structure and thermal stability of［110］ Au nanowires, and investigate its melting mechanism and shape evolution by introducing the Lindemann index and the minimum radius. The results show that the transformation from fcc to hcp structure occurs in local regions of nanowire before premelting. The melting starts from surface and evolves into interior region, resulting in the overall melting of the nanowire. Subsequently, the neck occurs and induces the final breaking of nanowire into a spherical cluster.
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Keywords:
- nanowire /
- melting /
- molecular dynamics
[1] ［1］Kondo Y, Takayanagi K 2000 Science 289 606
[2] ［2］Li R Q, Pan C L, Wen Y H, Zhu Z Z 2009 Acta Phys. Sin. 58 2752 （in Chinese）［李仁全、 潘春玲、 文玉华、 朱梓忠 2009 物理学报 58 2752］
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[5] ［5］Doua R, Derby B 2008 Scripta Mater. 59 151
[6] ［6］Wang J L, Chen X S, Wang G H, Wang B L, Lu W, Zhao J J 2002 Phys. Rev. B 66 085408
[7] ［7］Wen Y H, Zhu Z Z, Zhu R Z, Shao G F 2004 Physica E 25 47
[8] ［8］Hui L, Wang B L, Wang, J L, Wang G H 2004 J. Chem. Phys. 121 8990
[9] ［9］Wang X W, Fei G T, Zheng K, Jin Z, Zhang L D 2006 Appl. Phys. Lett. 88 173114
[10] ］Sankaranarayanan S K R S, Bhethanabotla V R, Joseph B 2007 J. Phys. Chem. C 111 2430
[11] ］Liu J, Duan J L, Toimil-Molares E, Karim S, Cornelius T W, Dobrev D, Yao H J, Sun Y M, Hou M D, Mo D, Wang Z G, Neumann R 2006 Nanotechnology 17 1922
[12] ］Liu S S, Wen Y H, Zhu Z Z 2008 Chin. Phys. B 17 2621
[13] ］Tian H C, Liu L, Wen Y H 2009 Acta Phys. Sin. 58 4080 （in Chinese）［田惠忱、 刘丽、 文玉华 2009 物理学报 58 4080］
[14] ］Evans D J, Holian B L 1985 J. Chem. Phys. 83 4096
[15] ］Wen Y H, Fang H, Zhu Z Z, Sun S G 2009 Phys. Lett. A 373 272
[16] ］Wen Y H, Fang H, Zhu Z Z, Sun S G 2009 Chem. Phys. Lett 471 295
[17] ］Zhou Y Q, Karplus M, Ball K D, Berry R S 2002 J. Chem. Phys. 116 2323
[18] ］Wen Y H, Zhu Z Z, Zhu R Z 2008 Comp. Mater. Sci. 41 553
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[1] ［1］Kondo Y, Takayanagi K 2000 Science 289 606
[2] ［2］Li R Q, Pan C L, Wen Y H, Zhu Z Z 2009 Acta Phys. Sin. 58 2752 （in Chinese）［李仁全、 潘春玲、 文玉华、 朱梓忠 2009 物理学报 58 2752］
[3] ［3］Marszalek P E, Greenleaf W J, Li H, Oberhauser A F, Fernandez J M 2000 PNAS 97 6282
[4] ［4］Wu B, Heidelberg A, Boland J J 2005 Nature Mater. 4 525
[5] ［5］Doua R, Derby B 2008 Scripta Mater. 59 151
[6] ［6］Wang J L, Chen X S, Wang G H, Wang B L, Lu W, Zhao J J 2002 Phys. Rev. B 66 085408
[7] ［7］Wen Y H, Zhu Z Z, Zhu R Z, Shao G F 2004 Physica E 25 47
[8] ［8］Hui L, Wang B L, Wang, J L, Wang G H 2004 J. Chem. Phys. 121 8990
[9] ［9］Wang X W, Fei G T, Zheng K, Jin Z, Zhang L D 2006 Appl. Phys. Lett. 88 173114
[10] ］Sankaranarayanan S K R S, Bhethanabotla V R, Joseph B 2007 J. Phys. Chem. C 111 2430
[11] ］Liu J, Duan J L, Toimil-Molares E, Karim S, Cornelius T W, Dobrev D, Yao H J, Sun Y M, Hou M D, Mo D, Wang Z G, Neumann R 2006 Nanotechnology 17 1922
[12] ］Liu S S, Wen Y H, Zhu Z Z 2008 Chin. Phys. B 17 2621
[13] ］Tian H C, Liu L, Wen Y H 2009 Acta Phys. Sin. 58 4080 （in Chinese）［田惠忱、 刘丽、 文玉华 2009 物理学报 58 4080］
[14] ］Evans D J, Holian B L 1985 J. Chem. Phys. 83 4096
[15] ］Wen Y H, Fang H, Zhu Z Z, Sun S G 2009 Phys. Lett. A 373 272
[16] ］Wen Y H, Fang H, Zhu Z Z, Sun S G 2009 Chem. Phys. Lett 471 295
[17] ］Zhou Y Q, Karplus M, Ball K D, Berry R S 2002 J. Chem. Phys. 116 2323
[18] ］Wen Y H, Zhu Z Z, Zhu R Z 2008 Comp. Mater. Sci. 41 553
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