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 ${\mathrm{Cu}}_{64}{\mathrm{Zr}}_{36}$ 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.

中文翻译：

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预测金属玻璃中的剪切转变事件

剪切转变是金属玻璃塑性变形的基本过程，因此预测剪切转变事件的发生对理解金属玻璃的力学行为至关重要。在这封信中，从势能格局的角度来看，我们发现剪切转换的协议相关行为受沿其最小能量路径的应力梯度支配，我们提出了一种框架以及一种原子方法来预测触发金属玻璃中不同剪切方案下剪切转变事件的应变，位置和结构转变。用模型验证${铜}_{64}{锆}_{36}$金属玻璃显示该预测与非热准静态剪切模拟非常吻合。所提出的框架被认为为开发定量理解控制金属玻璃的机械行为的变形过程提供了重要的工具。