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Kinetic Monte Carlo simulations of structural evolution during anneal of additively manufactured materials
Computational Materials Science ( IF 3.3 ) Pub Date : 2020-06-01 , DOI: 10.1016/j.commatsci.2020.109605
Xiao Wang Zhou , Richard A. Karnesky , Nancy Yang , Joshua K. Yee

Abstract POur experiments indicated that upon a post-processing anneal, an additively manufactured 316L stainless steel exhibits cubic grains rather than the conventional equiaxed grains. Here, we have used kinetic Monte Carlo simulations to explore the origin of these cubic grains. First, we implemented a new kinetic Monte Carlo model in parallel code SPPARKS to simulate grain growth and recrystallization under a residual energy distribution. Our model incorporates physical properties and real-time, as opposed to generic properties and relative time. We further validated that our SPPARKS simulations reproduced the expected kinetic behavior of single-grain evolution. We then used the validated approach to simulate the anneal of an additively manufactured material under the same conditions used in our experiments. We found that the cubic grains can origin from a periodically varying residual energy that may be present in additively manufactured materials.

中文翻译:

增材制造材料退火过程中结构演化的动力学蒙特卡罗模拟

摘要 Pour 实验表明,经过后处理退火,增材制造的 316L 不锈钢呈现立方晶粒,而不是传统的等轴晶粒。在这里,我们使用动力学蒙特卡罗模拟来探索这些立方晶粒的起源。首先,我们在并行代码 SPPARKS 中实现了一个新的动力学蒙特卡罗模型,以模拟残余能量分布下的晶粒生长和再结晶。我们的模型结合了物理属性和实时性,而不是通用属性和相对时间。我们进一步验证了我们的 SPPARKS 模拟再现了单晶粒演化的预期动力学行为。然后,我们使用经过验证的方法在我们实验中使用的相同条件下模拟增材制造材料的退火。
更新日期:2020-06-01
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