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Influence of the grid cell geometry on 3D cellular automata behavior in intergranular corrosion
Journal of Computational Science ( IF 3.1 ) Pub Date : 2021-02-10 , DOI: 10.1016/j.jocs.2021.101322
Simone Guiso , Dung di Caprio , Jacques de Lamare , Benoît Gwinner

The bulk structure of stainless steels (SS) consists of mostly convex grains whose thin (one nm) planar interfaces are called grain boundaries (GB). There are industrial contexts where SS exposed to aggressive oxidative media undergo a fast degradation due to inter-granular corrosion (IGC), a preferential attack that occurs at the grain boundaries, propagating along them and leading to grains detachment. To address the IGC issue, we developed a 3D synchronous cellular automata (CA) model. Our first goal was to obtain a GB corrosion rate that could be as isotropic as possible. We performed full angular studies, with respect to the spatial orientation of a single grain boundary, in three different cases of grid (array of cells) geometry (cubic, hexagonal close-packed (HCP), face-centered cubic (FCC)). The HCP grid appears to be the best choice, as far as isotropy of the GB corrosion rate is concerned.



中文翻译:

晶格腐蚀中网格单元几何形状对3D细胞自动机行为的影响

不锈钢(SS)的整体结构主要由凸形晶粒组成,其薄(一纳米)平面界面称为晶界(GB)。在工业环境中,暴露于侵蚀性氧化介质的SS会由于晶间腐蚀(IGC)而快速降解,这是在晶界发生的优先腐蚀,并沿晶界传播并导致晶粒脱离。为了解决IGC问题,我们开发了3D同步细胞自动机(CA)模型。我们的第一个目标是获得GB腐蚀速率,该速率应尽可能各向同性。在三种不同的网格(单元阵列)几何形状(立方,六边形密堆积(HCP),面心立方(FCC))中,我们针对单个晶粒边界的空间方向进行了全角度研究。HCP网格似乎是最佳选择,

更新日期:2021-02-10
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