マグネシウム双晶境界のエネルギーとその原子構造の評価

概要

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In order to clarify the twin boundary energy and its structure of (1121), (1122), (1011) and (1012) twins, the atomic structure was simulated by molecular dynamics method. The main results are summarized as follows. (1011) twin boundary is the lowest energy boundary, and (1122) twin boundary is the highest energy boundary. (1121) twin and (1011) twin are consist with the single structural unit. And (1122) twin and (1012) twin consist of the structural units composed of two different structural units, respectively one by one.