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Anisotropic deformation behaviors of amorphous-crystalline nanolaminates investigated via molecular dynamics simulations

机译:通过分子动力学模拟研究非晶结晶纳米胺的各向异性变形行为

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Amorphous-crystalline nanolaminates (ACNLs) composed of CuZr metallic glass layers and single crystal copper layers were constructed, and the anisotropy of the material deformation behaviors were investigated by conducting shear loadings on the ACNL sample in parallel deforming and serial deforming directions using molecular dynamics method. In parallel deforming mode, the yielding of the material was mainly triggered by generation of dislocations and slips in crystalline layer, and both crystalline and amorphous phases participated in the subsequent plastic deforming. In serial deforming mode, the results showed that the yielding and plastic deforming of the material was induced by shear localization of amorphous layers only. Amorphous-crystalline interfaces (ACIs) served as stress resistance weakness and dislocations breeding cradle in the former deforming mode while a strong connection of two phases in the later deforming mode. Furthermore, the increasing of crystalline layer thickness would promote the material shear modulus and shear strength in both deformation modes. The promotions and incentives varied and had dependence on the coupled deforming mechanisms. For the serial deforming mode, the shear moduli obtained from our simulations fitted the predicted ones from rule-of-mixture very well, while in the parallel deforming mode, the simulated shear moduli were much higher than predicted ones, which could be explained with the size effect induced by reduction of crystalline layer thickness surround with ACIs. (C) 2019 Elsevier B.V. All rights reserved.
机译:构造了由CuzR金属玻璃层和单晶铜层组成的无定形结晶纳米胺(ACN1),并通过使用分子动力学方法在横向变形和串联变形方向上的剪切载体上进行剪切载体来研究材料变形行为的各向异性。在并联变形模式中,主要通过产生脱位和晶体层的脱位来引发材料的屈服,并且在随后的塑性变形中参与了结晶和无定形相。在连续变形模式中,结果表明,仅通过非晶层的剪切定位诱导了材料的屈服和塑性变形。无定形结晶界面(ACIS)用作前变形模式中的胁迫性弱点和脱位,而在后续变形模式下的两个阶段的强烈连接。此外,晶体层厚度的增加将促进两种变形模式中的材料剪切模量和剪切强度。促销和激励措施各种各样,并依赖于耦合的变形机制。对于串联变形模式,从我们的模拟获得的剪切模量非常良好地安装了预测的,而在并联变形模式下,模拟剪切模量远高于预测的剪切模量,这可以用通过减少acis晶体层厚度环绕引起的尺寸效应。 (c)2019 Elsevier B.v.保留所有权利。

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