K-0109 弾性解を利用した分子動力学法によるシリコン材の圧子押込み下での転位の射出とループの形成(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)
詳細
Nano-indentation of silicon is analyzed using the molecular dynamics simulation with an initial configuration deformed by the elastic solution in order to diminish the computational time. Comparing the usual procedures with the perfectly undeformed initial configuration, almost similar internal structural change of occurrence of amorphous-phase and emission of a dislocation loop are observed. From the crystallographic analyses to determine a Bergers vector, a dislocation loop is found to be formed by combining the 60 degree dislocation with the screw dislocation.
