K-0111 金属多層薄膜の力学的特性におよぼす結晶方位・構造の影響の分子動力学法による評価(J01-3 変形と転位)(J01 第一原理計算・分子動力学法による材料強度評価)

抄録

In a multi-layered structure such as laminated metallic thin firms, it is known that hydrogen atmosphere causes functional degradation near interfaces. In this study, the molecular dynamics (MD) was applied to multi-layered structures with various crystal orientations and structures to investigate the micro mechanisms of deformation near interfaces and mechanical properties. Three-layered thin films which are composed of ductile and brittle crystals were analyzed. It was found that their mechanical property depends mainly on that of the laminar at a center position. Then, to obtain better properties, the mechanism of hydrogen invasion from a free surface was also investigated.