Predicting Shear Transformation Events in Metallic Glasses.
Predicting Shear Transformation Events in Metallic Glasses.
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DOI：
10.1103/physrevlett.120.125503
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发表时间：
2018-03
影响因子：
8.6
通讯作者：
Bin Xu;M. Falk;J. Li;L. Kong
中科院分区：
文献类型：
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作者：
Bin Xu;M. Falk;J. Li;L. Kong
剪切相变是金属玻璃塑性变形的基本过程，预测剪切相变事件的发生对理解金属玻璃的力学行为具有重要意义。在这封信中，从势能景观的角度来看，我们发现，协议依赖的行为的剪切转变是由应力梯度沿着其最小能量路径，我们提出了一个框架，以及一个原子的方法来预测触发应变，位置和结构转变的剪切转变事件在不同的剪切协议在金属玻璃。通过对Cu_{64}Zr_{36}金属玻璃模型的验证表明，该预测结果与准静态剪切模拟结果吻合较好。建议的框架被认为是一个重要的工具，发展的变形过程，控制金属玻璃的力学行为的定量理解。
Shear transformation is the elementary process for plastic deformation of metallic glasses, the prediction of the occurrence of the shear transformation events is therefore of vital importance to understand the mechanical behavior of metallic glasses. In this Letter, from the view of the potential energy landscape, we find that the protocol-dependent behavior of shear transformation is governed by the stress gradient along its minimum energy path and we propose a framework as well as an atomistic approach to predict the triggering strains, locations, and structural transformations of the shear transformation events under different shear protocols in metallic glasses. Verification with a model Cu_{64}Zr_{36} metallic glass reveals that the prediction agrees well with athermal quasistatic shear simulations. The proposed framework is believed to provide an important tool for developing a quantitative understanding of the deformation processes that control mechanical behavior of metallic glasses.