多相场方法对多晶体的粒度边界和三连接诱导的无障碍预化和尺寸效应
Newton1, Anup Basak1
1Department of Mechanical Engineering, Indian Institute of Technology Tirupati, Tirupati, A.P. 517619, India.
The Journal of chemical physics
|March 31, 2025
概括
这项研究揭示了在固体中的粒度边界 (GBs) 和三连接点 (TJs) 的纳米级无障碍预化. 内在的长度尺度显著影响融化,固化和微观结构的演变,低于大点.
科学领域:
- 材料科学 材料科学 材料科学
- 热力学是一种热力学.
- 纳米技术纳米技术
背景情况:
- 粒度边界 (GBs) 和三连接 (TJs) 影响材料的性能.
- 以前的模型经常过度简化GB和TJ属性.
研究的目的:
- 在GBs和TJs研究纳米级无障碍预化.
- 探索内在长度尺度对相位转换的影响.
- 揭示多晶体固体中和固化的热力学过程.
主要方法:
- 一种热力学和物理一致的金兹堡-兰道型多相场方法.
- 纳米级模拟考虑了不同的干 GB 和 TJ 能量和宽度.
主要成果:
- 识别了无障碍的预化和在大批点以下的GBs和TJs的化.
- 证明了GB宽度和粒径对转化温度的显著影响.
- 揭示了化和凝固过程中的跳跃式相变和热歇斯底里.
- 探讨了解离潜力在化前和状态稳定中的作用.
结论:
- 本质长度尺度对于理解多晶体固体中的纳米级相变化至关重要.
- 多相场模型为研究GB介导的融和固化提供了一个现实的框架.
- 这些发现为纳米级材料的行为提供了洞察力,这与先进的材料设计有关.
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