统计物理学
复制品
玻璃化转变
蒙特卡罗方法
过冷
计算机科学
无定形固体
掉期(金融)
数据科学
纳米技术
物理
材料科学
化学
数学
热力学
统计
艺术
视觉艺术
经济
有机化学
聚合物
财务
核磁共振
作者
Ludovic Berthier,David R. Reichman
标识
DOI:10.1038/s42254-022-00548-x
摘要
The physics of the glass transition and amorphous materials continues to attract the attention of a wide research community after decades of effort. Supercooled liquids and glasses have been studied numerically since the advent of molecular dynamics and Monte Carlo simulations in the last century. Computer studies have greatly enhanced both experimental discoveries and theoretical developments and constitute an active and continually expanding research field. Our goal in this review is to provide a modern perspective on this area. We describe the need to go beyond canonical methods to attack a problem that is notoriously difficult in terms of time scales, length scales, and physical observables. We first summarise recent algorithmic developments to achieve enhanced sampling and faster equilibration using replica exchange methods, cluster and swap Monte Carlo algorithms, and other techniques. We then review some major recent advances afforded by these novel tools regarding the statistical mechanical description of the liquid-to-glass transition as well as the mechanical, vibrational and thermal properties of the glassy solid. We finally describe some important challenges for future research.
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