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2015 Fiscal Year Final Research Report

Exploring the electronic and structural properties of LPSO structures through first-principles-based computational science

Planned Research

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Project AreaMaterials Science of synchronized LPSO structure -Innovative Development of Next-Generation Lightweight Structural Materials-
Project/Area Number 23109004
Research Category

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionOsaka University

Principal Investigator

Kimizuka Hajime  大阪大学, 基礎工学研究科, 准教授 (60467511)

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)
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)
Project Period (FY) 2011-04-01 – 2016-03-31
KeywordsLPSO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
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.

Free Research Field

機械材料・材料力学,金属物性

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Published: 2017-05-10  

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