書誌事項
- タイトル別名
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- Recent Trends and Future Perspectives of Phase Diagram Calculations
- ジョウタイズ ケイサンホウ ノ サイキン ノ ドウコウ ト コンゴ ノ テンボウ
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The CALPHAD (Calculations of Phase Diagrams) method has succeeded in obtaining multicomponent phase diagrams for technological applications in the last few decades. However, this approach is faced with some difficulties in calculating phase equilibria in the metastable region and thermodynamic properties of metastable phases, those are usually not accessible experimentally. Within the same time frame, first-principles calculations based on the electron theory have progressed extensively and have interacted with the CALPHAD method. In this paper, after a brief overview of the history and the basics of the CALPHAD method, we present our recent research results on the calculations of thermodynamic properties such as enthalpy of formation at finite temperatures using electron theory as well as lattice vibration and cluster expansion method, with special emphasis on making use of these theoretical values in the CALPHAD description of thermodynamic properties of alloys.
収録刊行物
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- 資源と素材
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資源と素材 127 (8), 473-478, 2011
一般社団法人 資源・素材学会
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詳細情報 詳細情報について
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- CRID
- 1390282680257507328
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- NII論文ID
- 10029260071
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- NII書誌ID
- AA12188381
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- ISSN
- 18840450
- 18816118
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- NDL書誌ID
- 11199315
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- 本文言語コード
- en
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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