The elastic properties and energy characteristics of Au nanowires: an atomistic simulation study |
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Authors: | Liu Shan-Shan Wen Yu-Hua and Zhu Zi-Zhong |
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Institution: | Department of Physics, and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen 361005, China |
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Abstract: | This paper have performed molecular static calculations with the
quantum corrected Sutten--Chen type many body potential to study
size effects on the elastic modulus of Au nanowires with 100],
110] and 111] crystallographic directions, and to explore the
preferential growth orientation of Au nanowires. The main focus of
this work is the size effects on their surface characteristics.
Using the common neighbour analysis, this paper deduces that surface
region approximately consists of two layer atoms. Further, it
extracts the elastic modulus of surface, and calculate surface
energy of nanowire. The results show that for all three directions
the Young's modulus of nanowire increases as the diameter increases.
Similar trend has been observed for the Young's modulus of surface.
However, the atomic average potential energy of nanowire shows an
opposite change. Both the potential and surface energy of 110]
nanowire are the lowest among all three orientational nanowires,
which helps to explain why Au nanowires possess a 110] preferred
orientation during the experimental growth proceeds. |
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Keywords: | nanowire elastic modulus size
effect molecular static approach |
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