Computational Materials Science ( IF 3.1 ) Pub Date : 2021-09-06 , DOI: 10.1016/j.commatsci.2021.110831 Nikolai V. Priezjev 1
The effect of glass stability on the yielding transition and mechanical properties of periodically deformed binary glasses is investigated using molecular dynamics simulations. We consider a binary mixture first slowly cooled below the glass transition temperature and then mechanically annealed to deeper energy states via small-amplitude oscillatory shear deformation. We show that upon increasing glass stability, the shear modulus and the yielding peak during startup continuous deformation increase towards plateau levels. It is found that during the strain amplitude sweep, the yielding transition occurs at higher amplitudes and it becomes more abrupt in deeply annealed glasses. The processes of initiation and formation of a shear band are elucidated via the spatiotemporal analysis of nonaffine displacements of atoms. These results are important for thermo-mechanical processing of highly stable amorphous alloys.
中文翻译:
在有限温度下周期性变形的稳定玻璃的屈服转变
使用分子动力学模拟研究了玻璃稳定性对周期性变形二元玻璃的屈服转变和机械性能的影响。我们考虑首先将二元混合物缓慢冷却至玻璃化转变温度以下,然后通过小振幅振荡剪切变形机械退火至更深的能态。我们表明,随着玻璃稳定性的增加,启动连续变形过程中的剪切模量和屈服峰值向平台水平增加。发现在应变幅度扫描期间,屈服转变发生在更高的幅度并且在深度退火的玻璃中变得更加突然。通过原子非仿射位移的时空分析阐明了剪切带的起始和形成过程。