分子動力学による金属積層薄膜への水素侵入のモデル化と水素の界面の変形・破壊挙動への影響解析

概要

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Deformation and fracture characteristics of an interface in a BCC metal (α-Fe) under hydrogen diffusion are investigated by the molecular dynamics (MD) analysis. Influences of strain, existence of interface and hydrogen concentration on diffusion of hydrogen from a free surface are studied. Two types of Fe-H potentials gave different results. By comparing these results with a physical H diffusion mechanism, a new model of H diffusion combining two Fe-H potentials was developed. In this model, deformation and fracture of an interface are relatively promoted than the provious models using a single Fe-H potential. It is shown major factors of interface fracture are applied strain and hydrogen concentration.
社団法人日本機械学会の論文
2000-02-25