Finnis-Sinclair ポテンシャルを用いた鉄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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Structures of self-interstitial atoms (SIA) and a screw dislocation in α-iron have been studied by computer simulation using Finnis-Sinclair potential. It was found that formation energies for <110> dumbbell and <111> crowdion are 3.88 eV and 3.95 eV, respectively. A screw dislocation has three types of core structure namely, i) unpolarized type, ii) polarized type, and iii) split type core structure. The energy of ii) is slightly lower than the other two types. 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 2.4 eV.
- 九州大学大学院総合理工学研究科の論文
- 1989-03-31
九州大学大学院総合理工学研究科 | 論文
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