Enhanced grain boundary embrittlement of an Fe grain boundary segregated by hydrogen (H)
スポンサーリンク
概要
- 論文の詳細を見る
First-principles fully relaxed tensile and shear test simulations were performed on Σ3(111)/[110] tilt Fe grain-boundaries (GBs) with and without hydrogen (H) segregation, to investigate the mechanisms of GB embrittlement enhanced by H segregation. Premature fracture was found in the H-segregated GB, compared with the clean GB, in the tensile test simulations. The Fe–H bond showed covalent-like and ion-like characteristics. The covalent-like characteristics reinforced the Fe–Fe bonds, but the ion-like characteristics weakened the Fe–Fe bonds as a result of charge transfer. The effect of the latter increased with increasing strain, and prevailed over the former, resulting in GB embrittlement. In the shear test simulations, variation in the GB energy for the H-segregated GB was almost the same as that for the clean GB. This is because bond-breaking and rebonding occur concurrently in GB shearing and the variations in charge transfer during shear straining are less than those during tensile straining.
論文 | ランダム
- 英雄願望白書--陽は輝き蓮は花ひらき--日蓮像を求めて (「日蓮」)
- マセラッティ(馬)とダンプ(豚)--「その後の仁義なき戦い」論 (「その後の仁義なき戦い」)
- 「九月の町」への熱い瞳--「サ-ド」にみる少年群像 (サ-ド)
- 「壇の浦夜枕合戦記」より--愛の上昇志向と下降志向 (壇の浦夜枕合戦記)
- 杳(はる)かなる海のやさしさへ--メルヘンの有効性について (聖母観音大菩薩)