Finnis-Sinclair ポテンシャルを用いたモリブデン中の欠陥の計算機シュミレーション
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概要
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Structure of self-interstitial atoms(SIA)and a screw dislocation in molybdenum have been studied by computer simulation using Finnis-Sinclair potential. It was found that formation energy for <110> dumbbell is 4.44 eV and that for <111> crowdion is almost same or slightly higher than this value. A screw dislocation has a lowest energy for polarized type and other types of core structure were not observed. A SIA has a <111> crowdion structure in a screw dislocation core, and the interaction energy between a screw dislocation and a <111> crowdion is 3.6 eV.
- 九州大学大学院総合理工学研究科の論文
- 1989-06-01
九州大学大学院総合理工学研究科 | 論文
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