调整模型准晶及其近似的稳定性与周期基板
Nydia Roxana Varela-Rosales1, Michael Engel1
1Institute for Multiscale Simulation, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany. michael.engel@fau.de.
Soft matter
|March 11, 2024
概括
基质影响准晶体及其近似的稳定性. 弱相互作用导致过渡,而更强的相互作用稳定特定的准晶体结构,提供设计策略.
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
- 晶体学 晶体学是指结晶学.
背景情况:
- 准晶体和周期近似体是各种系统中发现的复杂的晶体相.
- 薄膜矿表现出基于热力学条件和基板的相变.
- 了解基质效应对于控制复杂的晶体结构至关重要.
研究的目的:
- 调查基板如何影响二维模型准晶及其近似的热力学稳定性.
- 探索基质相互作用在相变和结构稳定中的作用.
- 确定设计新型周期性和准周期性结构的策略.
主要方法:
- 使用模拟模型,粒子通过莱纳德-斯-高斯电位相互作用.
- 采用了分子动力学模拟和自由能量计算.
- 在计算中明确考虑了phason flips.
主要成果:
- 弱基质相互作用诱导了不相称-相称过渡,将近似物锁定在特定的结构中.
- 在3/2近似值中观察到平衡阶段模式波动,与准周期顺序相关.
- 更强大的基板增强了十二角形半晶体和方格格子变体的稳定性.
- 所有现象都是通过系统-基板相互作用来解释的.
结论:
- 基板设计是创建新型周期性和准周期性结构的有希望的策略.
- 模型系统和基板之间的相互作用决定了观察到的结构阶段.
- 平衡中的Phason波动可以发生在特定的准晶体近似物中.
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