用于激光沉积的应用的相场晶体模型:一篇综述
Duncan Burns1, Nikolas Provatas1, Martin Grant1
1Department of Physics, McGill University, Montréal, Québec H3A 2T8, Canada.
Structural dynamics (Melville, N.Y.)
|February 16, 2024
概括
阶段场晶 (PFC) 理论模型激光沉积期间的纳米结构动力学. 新的热场晶体 (TFC) 模拟揭示了激光加热如何导致缺陷和转移稳定的结构,这对于理解快速材料加工至关重要.
科学领域:
- 材料科学 材料科学 材料科学
- 计算物理 计算物理
- 纳米技术纳米技术
背景情况:
- 激光沉积中的纳米结构动力学对材料性能至关重要.
- 现有的模型往往缺乏在快速热事件期间捕捉原子细节的分辨率.
- 阶段场晶体 (PFC) 理论提供了一种混合方法,可以跨越原子和连续尺度.
研究的目的:
- 在激光沉积下应用和推进相场晶体 (PFC) 理论来建模纳米结构进化.
- 研究激光加热对多晶材料的影响,包括塑性,再结晶和空化.
- 为非同热激光沉积模拟引入和利用一种新的热密度PFC理论 (热场晶体 - TFC).
主要方法:
- 阶段场晶体 (PFC) 方法的概述,包括声声和热传输.
- 通过二维多晶样本的随机波动模拟激光加热.
- 将新开发的热场晶体 (TFC) 理论应用于非异热模拟.
主要成果:
- 在PFC模拟中,在同热极限中成功模拟了可塑性和再结晶.
- 在模拟中,足够的动能导致空洞形成,抑制了冲击传播.
- TFC模拟显示,隐性热可以创建持久的转移稳定结构和缺陷,治疗依赖于热扩散.
- 通过TFC模拟的格子温度与传统的两温度模型有质地匹配.
结论:
- 开发的热场晶体 (TFC) 形式主义有效地模拟了激光沉积期间的纳米结构动力学.
- TFC提供了关于缺陷形成和转移稳定的结构的见解,这些结构在快速加热和重新固化过程中由潜热驱动.
- 这种新的形式主义对于预测激光增材制造和材料加工中的短暂结构是有价值的.
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