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物理学报  2010 

An atomistic simulation of structure and thermal stability of [110] Au nanowire during continuous heating
[110]Au纳米线在加温过程中结构与热稳定性的原子级模拟研究

Keywords: nanowire,melting,molecular dynamics
纳米线,
,熔化,,分子动力学

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Abstract:

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 th...

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