Understanding the relationship between nanoscale structural heterogeneities or elastic fluctuations and strain localization in monolithic metallic glasses remains a long-standing underlying issue. Here, an atomic-level investigation of the correlation between elastic and structural heterogeneities and the mechanisms of shear banding in CuZr metallic glass is conducted using molecular dynamics simulations. The shear band formation and propagation processes and the intersection mechanism of multiple shear bands are evaluated by means of local entropy-based structural identification and von Mises stress calculation. The shear band follows the path of lower order and high entropy while shear deflection and branching occur when approaching regions of low entropy. The local von Mises stress calculation allows predictions on the shear band direction and the propensity for activation and propagation prior to yielding and sheds light on shear band branching and multiplication processes.

理解整体金属玻璃中纳米级结构异质性或弹性波动与应变局部化之间的关系仍然是一个长期存在的潜在问题。在这里，使用分子动力学模拟对CuZr金属玻璃中弹性与结构异质性之间的相关性以及剪切带的机理进行了原子级的研究。通过基于局部熵的结构识别和冯·米塞斯应力计算，评估了剪切带的形成和传播过程以及多个剪切带的相交机制。剪切带遵循低阶和高熵的路径，而当接近低熵区域时发生剪切挠曲和分支。