一个固体在平衡状态下化的微观机制
Amit Samanta1, Mark E Tuckerman2, Tang-Qing Yu3
1Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, Livermore, CA 94550 USA. Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ 08544, USA. asamanta@math.princeton.edu weinan@math.princeton.edu mark.tuckerman@nyu.edu.
概括
化的固体涉及复杂的途径通过转移稳定状态. 在超热极限时,化是由振动不稳定驱动的,这挑战了经典的核化理论.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 物理化学 物理化学
背景情况:
- 像融化一样,第一阶段过渡显示出显著的时间尺度差异.
- 超稳定状态在相位过渡期间主导系统的行为.
研究的目的:
- 用先进的计算技术研究固体的融机制.
- 阐明金属稳定状态和融过程中的竞争路径的作用.
- 根据新的发现,重新评估经典核化理论.
主要方法:
- 采用了罕见事件采样技术.
- 模拟的重点是代表性固体,特别是铜和.
- 分析涉及识别和描述多个融途径.
主要成果:
- 化通过多个相互竞争的路径发生,涉及点缺陷和位移.
- 多重跨越障碍事件是由于元稳定状态而导致这些路径的特征.
- 接近超热,化简化为一个单一的跨越障碍的过程.
- 在超热极限时,融是由振动不稳定驱动的.
结论:
- 这项研究强调了固体化的非局部行为的重要性.
- 这些发现表明需要修订经典核化理论.
- 了解复杂的路径对于预测极端条件下的材料行为至关重要.
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