Bonding and diffusional dynamics of d-and f-shell metals and their compounds dおよびf殻金属とその化合物の結合と拡散挙動
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著者
書誌事項
- タイトル
-
Bonding and diffusional dynamics of d-and f-shell metals and their compounds
- タイトル別名
-
dおよびf殻金属とその化合物の結合と拡散挙動
- 著者名
-
蜂谷, 寛
- 著者別名
-
ハチヤ, カン
- 学位授与大学
-
京都大学
- 取得学位
-
博士 (エネルギー科学)
- 学位授与番号
-
甲第7933号
- 学位授与年月日
-
1999-03-23
注記・抄録
博士論文
目次
- 論文目録 / (0001.jp2)
- Contents / p5 (0005.jp2)
- 1 General introduction / p3 (0009.jp2)
- 1.1 Molecular dynamics simulation / p5 (0010.jp2)
- 1.2 Hybridized nearly-free-electron-tight-binding-bond model / p6 (0011.jp2)
- 1.3 Aim of this study / p7 (0011.jp2)
- 2 Atomistic simulation of the bonding and the self-diffusion in C15 Ni-Y Laves phase structure intermetallic compound / p13 (0014.jp2)
- 2.1 Introduction / p13 (0014.jp2)
- 2.2 Computational method / p14 (0015.jp2)
- 2.3 Results and discussions / p19 (0017.jp2)
- 2.4 Conclusions / p28 (0022.jp2)
- 3 Hybridized NFE-TBB model of the bonding in the light-actinide metals / p33 (0024.jp2)
- 3.1 Introduction / p33 (0024.jp2)
- 3.2 Computational method / p35 (0025.jp2)
- 3.3 Results / p37 (0026.jp2)
- 3.4 Conclusions / p41 (0028.jp2)
- 4 Hybridized NFE-TBB model of the bonding in the aluminium metals / p45 (0030.jp2)
- 4.1 Introduction / p45 (0030.jp2)
- 4.2 Potential model and computational method / p46 (0031.jp2)
- 4.3 Results / p48 (0032.jp2)
- 4.4 Conclusions / p52 (0034.jp2)
- 5 Hybridized NFE-TBB model of the bonding in the rare-earth metals / p57 (0036.jp2)
- 5.1 Introduction / p57 (0036.jp2)
- 5.2 Computational method / p58 (0037.jp2)
- 5.3 Results / p61 (0038.jp2)
- 5.4 Conclusions / p68 (0042.jp2)
- 6 Hybridized NFE-TBB model of the bonding in C15 Laves phase structure Al-rare-earth intermetallic compounds / p71 (0043.jp2)
- 6.1 Introduction / p71 (0043.jp2)
- 6.2 Computational method / p72 (0044.jp2)
- 6.3 Results / p75 (0045.jp2)
- 6.4 Conclusions / p79 (0047.jp2)
- 7 General conclusion / p83 (0049.jp2)
- A Distribution of the valence electrons in binary transition-metal alloys / p91 (0053.jp2)
- B Tight-binding approximations of the vacancy formation energy in binary transition-metal alloys / p97 (0056.jp2)
