書誌事項
- タイトル別名
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- Atomistic Simulations of Phase Transformation of Copper Precipitation and Its Effect on Obstacle Strength in .ALPHA.-iron
- アルファ Fe チュウ デ ノ Cu セキシュツブツ ノ ソウヘンカ ト ショウガイブツ キョウド エ ノ エイキョウ ニ カンスル ゲンシロンテキ ケントウ
- Atomistic Simulations of Phase Transformation of Copper Precipitation and Its Effect on Obstacle Strength in α-iron
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説明
The size- and spacing- dependent obstacle strength due to the Cu precipitation in α-Fe is investigated by atomistic simulations, in which the effect on phase transformation of Cu precipitation is considered by a conventional self-guided molecular dynamics (SGMD) method that has an advantage to enhance the conformational sampling efficiency in MD simulations. A sequence of molecular statics simulations of the interaction between a pure edge dislocation and spherical Cu precipitation are performed to investigate the obstacle strength associated with phase transformation. It was shown that the SGMD method can accelerate calculating the bcc to 9R structure transformation of a small precipitate, enabling the transformation without introducing any excess vacancies. Such metallographic structures increase the obstacle strength through strong pinning effects as a result of the complicated atomic rearrangement within the Cu precipitation.
収録刊行物
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- 材料
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材料 59 (8), 583-588, 2010
公益社団法人 日本材料学会
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キーワード
詳細情報 詳細情報について
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- CRID
- 1390001205418023168
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- NII論文ID
- 130000301820
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- NII書誌ID
- AN00096175
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- ISSN
- 18807488
- 05145163
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- NDL書誌ID
- 10811763
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- NDL
- Crossref
- CiNii Articles
- KAKEN
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- 抄録ライセンスフラグ
- 使用不可
