Theoretical investigation on the influence of temperature and crystallographic orientation on the breaking behavior of copper nanowire

Literature Information

Publication Date 2009-06-09
DOI 10.1039/B902795E
Impact Factor 3.676
Authors

Yunhong Liu, Fenying Wang, Jianwei Zhao, Luyun Jiang, Manabu Kiguchi, Kei Murakoshi


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Abstract

In this paper, molecular dynamics simulations have been conducted to study the mechanical stretching of copper nanowires which will finally lead to the formation of suspended liner atomic chains. A total of 2700 samples have been investigated to achieve a comprehensive understanding of the influence of temperature and orientation on the formation of linear atomic chains. Our results prove that linear atomic chains do exist for [100], [111] and [110] crystallographic directions. Stretching along the [111] direction exhibits a higher probability in forming the two-atom contact than that along the [110] and [100] directions. However, for longer linear atomic chains, there emerges a reversed trend. In addition, increasing temperature may decrease the formation probability for stretching along [111] and [110] directions, but this influence is less obvious for that along the [100] direction.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
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