書誌事項
- タイトル別名
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- Local Lattice Distortion and Chemical Bond Change during Hydrogenation in Pure Niobium
- ジュンニオブ ノ スイソカ ニ トモナウ キョクショ コウシ ヒズミ ト カガク ケツゴウ ノ ヘンカ
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説明
The local lattice distortion and the chemical bond change in the course of hydrogenation in niobium metal were simulated using the pseudopotential method and the DV-Xα molecular orbital method. The calculated enthalpy changes, ΔH, of hydrogen solution into niobium indicated that hydrogen could be dissolved readily into niobium up to the hydrogen content (H/M) of about 0.7 at 673 K, but further dissolution became difficult, in agreement with the experiment. The local lattice distortion appeared to occur in the niobium lattice so as to suppress the large decrease in the Nb-Nb covalent interaction during hydrogen dissolution, while enhancing the Nb-H interaction.<br>
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 70 (7), 541-547, 2006
公益社団法人 日本金属学会
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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
- 1390282681455568768
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- NII論文ID
- 130004455720
- 10020523713
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- NII書誌ID
- AN00187860
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- ISSN
- 18806880
- 24337501
- 00214876
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- NDL書誌ID
- 8042137
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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
