2015 Fiscal Year Final Research Report
Exploring the electronic and structural properties of LPSO structures through first-principles-based computational science
| Project Area | Materials Science of synchronized LPSO structure -Innovative Development of Next-Generation Lightweight Structural Materials- |
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| Project/Area Number |
23109004
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| Research Category |
Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | Osaka University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
YAMAGUCHI MASATAKE 日本原子力研究開発機構, システム計算科学センター, 研究主幹 (50360417)
MATSUNAKA DAISUKE 信州大学, 工学部, 准教授 (60403151)
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| Co-Investigator(Renkei-kenkyūsha) |
ITAKURA MITSUHIRO 日本原子力研究開発機構, システム計算科学センター, 研究主幹 (90370353)
KABURAKI HIDEO 日本原子力研究開発機構, システム計算科学センター, 研究主幹 (10360413)
SHIGA MOTOYUKI 日本原子力研究開発機構, システム計算科学センター, 研究副主幹 (40370407)
OGATA SHIGENOBU 大阪大学, 大学院基礎工学研究科, 教授 (20273584)
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| Project Period (FY) |
2011-04-01 – 2016-03-31
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| Keywords | LPSO構造 / 軽量構造材料 / 積層欠陥 / 添加元素 / 第一原理電子状態計算 |
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| Outline of Final Research Achievements |
To understand the details of the formation and strengthening mechanisms of the synchronized LPSO structures, it is required to elucidate their atomic structures and establish the science of their electronic and structural properties. In this study, we successfully characterized the main factors that dominate the solute-atom and/or solute-cluster ordering in the Mg-based LPSO structures at the electronic and atomic levels through first-principles-based computational science. This supported the validity of models of atomic structures obtained from the experiments, and also promoted the collaborations between experimental and computational researches. In addition, we clarified the activation mechanisms of basal slip systems in the LPSO phases and those of some non-basal slip systems in the Mg matrix on the basis of first-principles calculations.
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| Free Research Field |
機械材料・材料力学，金属物性
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