在一个二维的十二角形准晶体中,动态的原子机制
Kun Zhao1,2, Matteo Baggioli3,4,5, Wen-Sheng Xu6
1State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190, China.
The Journal of chemical physics
|June 18, 2025
概括
准晶体的动态类似于金属玻璃形成液体,而不是晶体. 这项研究揭示了二维十二角形准晶模型中的两阶段放松和动态异质性.
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 材料科学 材料科学 材料科学
- 统计力学 统计力学
背景情况:
- 准晶体表现出独特的结构和动态特性,挑战了传统的固态模型.
- 它们的动力学可能与形成玻璃的液体具有共同的特征,例如动态异质性和非Arrhenius放松.
- 了解准晶体动力学对于开发具有定制性质的新材料至关重要.
研究的目的:
- 在二维十二角半晶模型中研究异质动力学和非Arrhenius放松/扩散.
- 将准晶体的动态行为与形成玻璃的液体和晶体材料进行比较.
- 阐明准晶体中放松动态和集体运动之间的关系.
主要方法:
- 用分子动力学模拟来研究一个二维十二角形半晶模型.
- 分析的重点是自介散射函数 (Fs(k,t)) 来探测放松动态.
- 研究了放松时间的温度依赖性,并将其与集体运动相关联.
主要成果:
- 观察到两阶段的放松动态,包括快速的β-放松和较慢的α-放松.
- 在准晶体中表现出高度依赖温度的放松时间.
- 发现激活能量与弦状的集体运动相关,类似于形成玻璃的液体.
结论:
- 研究的十二角形准晶体的动态与金属玻璃形成液体的动态非常相似.
- 准晶体表现出动态异质性和玻璃形成系统的非Arrhenius行为特征.
- 这些发现挑战了传统固态模型对准晶体动态的适用性.
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