Applications of Cluster Variation Method to various internal freedom of alloys
Project/Area Number |
26289227
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Research Category |
Grant-in-Aid for Scientific Research (B)
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Allocation Type | Partial Multi-year Fund |
Section | 一般 |
Research Field |
Physical properties of metals/Metal-base materials
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Research Institution | Tohoku University |
Principal Investigator |
Mohri Tetsuo 東北大学, 金属材料研究所, 特任教授 (20182157)
|
Project Period (FY) |
2014-04-01 – 2018-03-31
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Project Status |
Completed (Fiscal Year 2017)
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Budget Amount *help |
¥11,830,000 (Direct Cost: ¥9,100,000、Indirect Cost: ¥2,730,000)
Fiscal Year 2016: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2015: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2014: ¥8,710,000 (Direct Cost: ¥6,700,000、Indirect Cost: ¥2,010,000)
|
Keywords | 有限温度磁性 / 規則相の緩和過程 / 変位型相変態 / 内部自由度 / クラスター変分法 / 経路確率法 / 金属物性 / 局所格子変位 / 磁気変態 / 合金内部自由度 / 連続変位クラスター変分法 / 局所変位 |
Outline of Final Research Achievements |
In an alloy, various internal freedoms such as atomic configuration, atomic displacement, magnetic spin configuration etc exist, and their excitations as well as evolution plays key roles for emerging various functional and structural properties. It is, however, quite a difficult task to describe an accurate free energy of a system with multiple internal freedoms. In the present studies, we developed efficient method based on (Continuous Displacement) Cluster Variation Method to convert internal freedom of alloys to configurational freedom of atomic species which is the central concern of conventional Cluster Variation Method. Among various results, finite temperature magnetism of fcc-Ni, order-order relaxation process associated with quenching operation on Ni3Al and displacive phase transition on a two-dimensional square lattice are emphasized.
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Report
(5 results)
Research Products
(42 results)
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[Presentation] Multiscal Materials Phenomena2014
Author(s)
Tetsuo Mohri
Organizer
RIMS International Conference: Mathematical Challenge to a New Phase of Materials Science
Place of Presentation
Kyoto University, Kyoto, Japan
Year and Date
2014-08-04 – 2014-08-08
Related Report
Invited
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