Atomistic Simulations of Phase Transformation of Copper Precipitation and Its Effect on Obstacle Strength in .ALPHA.-iron
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- TSURU Tomohito
- Japan Atomic Energy Agency
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- ABE Yosuke
- Japan Atomic Energy Agency
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- KAJI Yoshiyuki
- Japan Atomic Energy Agency
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- TSUKADA Takashi
- Japan Atomic Energy Agency
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- JITSUKAWA Shiro
- Japan Atomic Energy Agency
Bibliographic Information
- Other Title
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- α-Fe中でのCu析出物の相変化と障害物強度への影響に関する原子論的検討
- 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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Description
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.
Journal
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- Journal of the Society of Materials Science, Japan
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Journal of the Society of Materials Science, Japan 59 (8), 583-588, 2010
The Society of Materials Science, Japan
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Keywords
Details 詳細情報について
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- CRID
- 1390001205418023168
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- NII Article ID
- 130000301820
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- NII Book ID
- AN00096175
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- ISSN
- 18807488
- 05145163
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- NDL BIB ID
- 10811763
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- Text Lang
- ja
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- Data Source
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- JaLC
- NDL
- Crossref
- CiNii Articles
- KAKEN
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- Abstract License Flag
- Disallowed