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Formation of two conjoint fivefold deformation twins in copper nanowires with molecular dynamics simulation

机译:分子动力学模拟在铜纳米线中形成两个结合的五倍变形孪晶

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摘要

The formation of two conjoint fivefold deformation twins (DTs) in copper nanowires under bending is reported based on molecular dynamics simulations. It is found that an intermediate icosahedral phase is formed to facilitate the transformation from a low dense (010) plane in a face-centered-cubic lattice to a {111} close-packed fashion, forming trijunctions composed of three DTs. These trijunctions can easily interact with other DTs, forming two conjoint fivefold DTs. This formation process differs from the one observed by Cao and Wei [Appl. Phys. Lett. 89, 041919 (2006)], that is, fivefold DTs could be formed without introducing initial imperfections in simulations.
机译:基于分子动力学模拟,报道了铜纳米线在弯曲下形成两个联合的五倍变形孪晶(DTs)。发现形成中间二十面体相以促进从面心立方晶格中的低密度(010)平面到{111}紧密堆积的转变,形成由三个DT组成的三结。这些三结点可以轻松地与其他DT交互,从而形成两个联合的五重DT。这种形成过程不同于曹和魏[Appl.Appl.Phys.Lett。,1993,44,5119]。物理来吧89,041919(2006)],也就是说,可以在不引入模拟的初始缺陷的情况下形成五重DT。

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