论文标题
硅中的超级金属眼镜
Ultrastable metallic glasses in silico
论文作者
论文摘要
我们为多组分金属玻璃制定了一种通用策略和简单的数值模型，其掉期蒙特卡洛算法可以产生与实验系统相当于$ 10^7 $ $倍的实验系统的高度稳定平衡构型，比常规模拟速度要慢10^7美元。这为对金属玻璃的热力学，动态和机械性能的更深入理解铺平了道路。作为首次应用，我们将构型熵测量值延伸到实验玻璃温度，并证明了金属玻璃的机械响应的质量变化，该金属玻璃的稳定性增加了对勃迹。
We develop a generic strategy and simple numerical models for multi-component 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 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 towards brittleness.
