書誌事項
- タイトル別名
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- Interaction between Substitutional and Interstitial Elements in .ALPHA.-Fe Studied by First-Principles Calculation
- 第一原理計算によるα-Fe中の置換型元素と侵入型元素の相互作用
- ダイイチ ゲンリ ケイサン ニ ヨル アルファ Fe チュウ ノ チカンガタ ゲンソ ト シンニュウガタ ゲンソ ノ ソウゴ サヨウ
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説明
Interaction energy values between substitutional 3d transition metal elements and interstitial carbon atom in α-Fe is obtained by the first-principles calculation method. Calculated values of interaction energy are in good agreement with experimental values reported for those of Co, Ni and Cu elements, showing a repulsive interaction experimentally. On the other hand, the interaction energy for such elements as Ti, V, Cr and Mn is estimated to be a repulsive characteristics, although the attractive interaction between them and a carbon atom is experimentally obtained. The cause for this contradiction is discussed based on a different formation energy of carbide precipitation from the atomic pair interaction energy.
収録刊行物
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- 日本金属学会誌
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日本金属学会誌 68 (12), 977-982, 2004
公益社団法人 日本金属学会
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詳細情報 詳細情報について
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- CRID
- 1390001206479467776
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- NII論文ID
- 10014238531
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- NII書誌ID
- AN00187860
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- COI
- 1:CAS:528:DC%2BD2MXhtFemtL0%3D
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- ISSN
- 18806880
- 24337501
- 00214876
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- NDL書誌ID
- 7203451
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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
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- 抄録ライセンスフラグ
- 使用不可