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从融中结晶过程中金属中初级微观结构形成的原子模拟

Vladimir V Dremov¹, Pavel V Chirkov², Roman M Kichigin²

¹Federal State Unitary Enterprise "Russian Federal Nuclear Center - Zababakhin All-Russia Research Institute of Technical Physics", Snezhinsk, Chelyabinsk Region, Russia, 456770. v.v.dryomov@vniitf.ru.

Scientific reports

|November 15, 2024

概括

经典分子动力学模拟揭示了微观机制如何在选择性激光化 (SLM) 过程中在316L不钢中形成初级微观结构. 模拟准确地复制了在SLM生产的真实部件中观察到的微观结构特征.

科学领域:

材料科学材料科学材料科学
计算材料科学科学计算材料科学
增材制造增材制造增材制造

背景情况:

选择性激光化 (SLM) 涉及快速加热和冷却,产生高温梯度和小型池.
微观尺度上的这些条件适用于原子模拟,以研究凝固机制.
了解初级微结构的形成对于优化SLM过程和材料特性至关重要.

研究的目的:

在SLM中研究化金属固化过程中初级微观结构形成的微观机制.
使用经典分子动力学 (CMD) 模拟来研究凝固现象.
为了比较模拟结果与实验数据从真实的SLM加工材料.

主要方法:

经典分子动力学 (CMD) 模拟用于建模316L奥氏体不钢的固化.
模拟的重点是凝固前线与基质缺陷和新形成缺陷的相互作用.
来自CMD模拟的微结构与通过SLM生产的样本上的电子反射衍射 (EBSD) 获得的实验数据进行了比较.

主要成果:

固化材料继承了基质缺陷,并形成了新的缺陷,例如双边界,影响了主要的微观结构.
固化行为随着晶体学方向和与颗粒边界和缺陷的相互作用而变化.
在CMD模拟中,成功地复制了EBSD对SLM加工的316L不钢的分析中观察到的关键微结构特征.

结论:

大规模的原子模拟能够重现SLM在金属添加剂制造过程中形成的主要微结构特征.
在SLM过程中,CMD提供了对微观机制的洞察,这些机制控制着微观结构的演变.
该研究验证了原子模拟的使用,作为理解和优化增材制造工艺的强大工具.

关键词:

原子模拟的原子模拟.在奥氏体钢中,奥氏体钢是结晶化结晶化结晶化扩展的缺陷扩展的缺陷这是一种多晶体.主要微观结构的主要微观结构.

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