结构玻璃构造器的原子模型中的动态秩序-混乱
Lester O Hedges1, Robert L Jack, Juan P Garrahan
1Department of Chemistry, University of California, Berkeley, CA 94720-1460, USA.
概括
我们发现了结构玻璃构造器中第一阶段动态相变的证据. 这种过渡发生在轨迹空间中,统一了对玻璃现象的理解.
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
- 计算化学计算化学
背景情况:
- 玻璃过渡,液态到固态的变化没有结构秩序,是实验观察但理论上辩论.
- 玻璃过渡作为真正的相变的性质仍然是凝聚物质物理学中一个有争议的问题.
研究的目的:
- 为一种与玻璃过渡有关的新型相变提供数值证据.
- 调查结构玻璃成型器的原子模型中动态相变的存在.
主要方法:
- 使用原子模拟来建模结构玻璃构造器.
- 在轨迹空间中分析系统动态,而不是配置空间.
- 识别导致系统失去平衡的条件.
主要成果:
- 提出了玻璃成型器中第一阶段动态相变的数值证据.
- 证明这种过渡发生在轨迹空间中,与平衡阶段过渡不同.
- 埃尔戈迪克 (移动) 和非埃尔戈迪克 (不移动) 阶段之间建立了共存.
结论:
- 玻璃过渡可以理解为真正的相位过渡.
- 这种动态相位过渡为玻璃状现象提供了一个统一的框架.
- 连接实验观测与理论阶段过渡概念.
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