论文标题
3D晶体缺陷的混合幽灵校正方法
Blended Ghost Force Correction Method for 3D Crystalline Defects
论文作者
论文摘要
原子/连续耦合方法是一类用于有效模拟晶体缺陷的多尺度计算方法。最近开发的混合幽灵力校正（BGFC）方法结合了混合方法的效率和QNL类型方法的准确性。 BGFC方法可以应用于多体相互作用势和一般接口。在本文中，我们在三个维度上介绍了BGFC方法的制定，实施和分析。特别是，我们专注于与其他混合变体的差异和联系，例如基于能量的混合准核法方法（BQCE）和基于力的混合级准 - 核定方法（BQCF）。理论结果是通过一些基准数值实验在三维FCC晶格中具有点缺陷和MicroCrack的合理性。
Atomistic/continuum coupling method is a class of multiscale computational method for the efficient simulation of crystalline defects. The recently developed blended ghost force correction (BGFC) method combines the efficiency of blending methods and the accuracy of QNL type methods. BGFC method can be applied to multi-body interaction potentials and general interfaces. In this paper, we present the formulation, implementation and analysis of the BGFC method in three dimensions. In particular, we focus on the difference and connection with other blending variants, such as energy based blended quasi-continuum method (BQCE) and force based blended quasi-continuum method (BQCF). The theoretical results are justified by a few benchmark numerical experiments with point defects and microcrack in the three dimensional FCC lattice.
