Parmar Anshul D S, Ozawa Misaki, Berthier Ludovic
Laboratoire Charles Coulomb (L2C), Université de Montpellier, CNRS, 34095 Montpellier, France.
Laboratoire de Physique Statistique, École Normale Supérieure, CNRS, PSL Research University, Sorbonne Université, 75005 Paris, France.
Phys Rev Lett. 2020 Aug 21;125(8):085505. doi: 10.1103/PhysRevLett.125.085505.
We develop a generic strategy and simple numerical models for multicomponent metallic glasses for which the swap Monte Carlo algorithm can produce highly stable equilibrium configurations equivalent to experimental systems cooled more than 10^{7} times slower than in conventional simulations. This paves the way for a deeper understanding of the thermodynamic, dynamic, and mechanical properties of metallic glasses. As first applications, we considerably extend configurational entropy measurements down to the experimental glass temperature, and demonstrate a qualitative change of the mechanical response of metallic glasses of increasing stability toward brittleness.
我们为多组分金属玻璃开发了一种通用策略和简单数值模型,对于这种模型,交换蒙特卡罗算法可以产生高度稳定的平衡构型,等同于实验系统,其冷却速度比传统模拟慢10^7倍以上。这为更深入理解金属玻璃的热力学、动力学和力学性能铺平了道路。作为首次应用,我们将构型熵测量大幅扩展至实验玻璃化温度,并证明随着稳定性增加,金属玻璃的力学响应向脆性发生了质的变化。