The strength properties of structural steels or their weld zone are influenced by the microscopic heterogeneity. It is important to investigate the stress distribution for clarification of the mechanism of fracture and the material design by considering a grain boundary or its neighborhood because either can be a zone where the stress concentration is likely to occur due to a mismatch of the displacement. For this purpose, FEM-MD coupling method is one of the useful methods because it can treat the mismatch of the displacement caused by the microscopic heterogeneity. In this study, FEM-MD coupling method is proposed and the influence of the microscopic heterogeneity of steels is investigated by using FEM-MD coupling method.

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