一种跨原子/连续介质尺度的多尺度耦合方法

摘要

In small scales,atomic approaches are important in finding various mechanisms of material deformations and failures,while at the macroscopic scale continuum theories provide foundations for developing physical or constitutive laws.Connections for different scales are significant to reveal the multiscale process of material deformation and failure.A coupling numerical model across atom/continuum was established in this paper,and the linkage between atoms and finite element nodes was based on a displacement iteration procedure.Preliminary results of crack blunting and voids expansion were obtained by the coupling model.%基于原子尺度上的分析手段对研究材料变形和失效机理非常重要,且为材料在宏观尺度连续性理论中本构关系的进一步发展奠定了基础.而不同尺度下的连接对揭示材料变形与破坏的多尺度现象具有重要意义.本文建立了一种跨原子/连续介质尺度的耦合数值模型,采用位移迭代方法对原子与有限元节点进行连接.耦合模型算例中观察到了裂纹钝化和空洞扩张的演化结果,与理论和实验结论相符,表明本文提出的方法和模型的合理性.