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arXiv 2106.03565cond-mat.mtrl-scics.CE
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各向异性晶粒生长模型中不同水平集公式的比较研究及其局限性

Comparative study and limits of different level-set formulations for the modeling of anisotropic grain growth

Brayan Murgas, Sebastian Florez, Nathalie Bozzolo, Julien Fausty, Marc Bernacki

摘要:

四种不同的有限元水平集(FE-LS)配方进行比较,在多晶结构的背景下,晶粒生长的建模,而且,其中两个是第一次使用各向异性晶界(GB)的能量和流动性。使用四种制剂比较平均值和分布。首先,我们提出了强和弱配方不同的模型和晶体学参数在介观尺度。其次,给出了一些Grim Reaper分析案例,并与仿真结果进行了比较,在这里跟踪了单个多路口的演变。此外,大规模的模拟。将各向异性GB能量和迁移率分别定义为取向差/倾斜度和取向差的函数。计算了无取向分布函数(DDF)的演化,其演化与前人的工作一致。我们发现,被称为“各向异性”的配方是更物理的,但它可以被替换在介观尺度的简单的微观结构呈现初始麦肯齐型DDF的各向同性配方。

英文摘要:

Four different finite element level-set (FE-LS) formulations are compared for the modeling of grain growth in the context of polycrystalline structures and, moreover, two of them are presented for the first time using anisotropic grain boundary (GB) energy and mobility. Mean values and distributions are compared using the four formulations. First, we present the strong and weak formulations for the different models and the crystallographic parameters used at the mesoscopic scale. Second, some Grim Reaper analytical cases are presented and compared with the simulation results, here the evolutions of individual multiple junctions are followed. Additionally, large scale simulations are presented. Anisotropic GB energy and mobility are respectively defined as functions of the misorientation/inclination and disorientation. The evolution of the disorientation distribution function (DDF) is computed and its evolution is in accordance with prior works. We found that the formulation called "Anisotropic" is the more physical one but it could be replaced at the mesoscopic scale by an Isotropic formulation for simple microstructures presenting an initial Mackenzie-type DDF.

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