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Modeling of Deformation in Nanocrystalline Copper Using An Atomistic-Based Continuum Approach

机译:基于原子的连续素法,纳米晶铜变形的建模

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The deformation of copper with grain size less than 10 nm is investigated using a 2D continuum model incorporating atomistically-based constitutive relations. The local constitutive response of a series of symmetric and asymmetric tilt grain boundaries is obtained using an atomistic quusicontinuum method under tension and shear. The atomistic results show that it is possible to associate a constant maximum stress with each deformation mechanism triggered in the GB vicinity, i.e. GB sliding and decohesion, atom shuffling and partial dislocation emission. The GB strength is always found weaker in shear than in tension. This information is incorporated into a continuum polycrystalline model tested under compression. This model provides useful insights, in the absence of intragraniilar plasticity, into the onset of macroscopic quasi-plasticity, which results from GB sliding and collective grain rotation mechanisms.
机译:使用包含基于原始的本构关系的2D连续体模型研究具有小于10nm的粒度小于10nm的铜的变形。使用张力和剪切下的原子Quusicontinuum方法获得一系列对称和不对称倾斜晶界的局部介质响应。原子的结果表明,可以将恒定的最大应力与在GB附近触发的每个变形机构相关联,即GB滑动和解粘,原子洗涤和部分位错发射。 GB强度总是在剪切中发现较弱的剪切。该信息纳入压缩下测试的连续多晶模型。该模型在没有腔内可塑性的情况下提供有用的见解,进入宏观准塑性的发作,这由GB滑动和集体晶粒旋转机构导致。

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