Computational Materials Science ( IF 3.3 ) Pub Date : 2021-09-06 , DOI: 10.1016/j.commatsci.2021.110834 Xiaoyao Peng 1 , Abigail Hunter 2 , Irene J. Beyerlein 3, 4 , Ricardo A. Lebensohn 1 , Kaushik Dayal 5, 6, 7 , Enrique Martinez 8, 9
In this work, new non-orthogonal computational grids are implemented into a phase field model called Phase Field Dislocation Dynamics (PFDD). We demonstrate that the new non-orthogonal grid can accommodate multiple slip planes in either the face centered cubic (FCC) or body centered cubic (BCC) crystallographic systems. We show that they avoid numerical errors induced when modeling glide on inclined slip planes in an orthogonal grid. The Gibbs effect that arises in the orthogonal or rotated orthogonal grids is substantially diminished when a non-orthogonal grid is employed. A few test cases demonstrate the effectiveness of using non-orthogonal grids in solving systems with multiple non-planar slip systems.
中文翻译:
用于研究相场方法中位错运动的非正交计算网格
在这项工作中,新的非正交计算网格被实施到称为相场位错动力学 (PFDD) 的相场模型中。我们证明了新的非正交网格可以在面心立方 (FCC) 或体心立方 (BCC) 晶体系统中容纳多个滑移面。我们表明,它们避免了在正交网格中的倾斜滑动平面上模拟滑行时引起的数值误差。当采用非正交网格时,在正交或旋转正交网格中出现的吉布斯效应显着减弱。一些测试案例证明了在求解具有多个非平面滑移系统的系统中使用非正交网格的有效性。