8pAE-11 局所エネルギー・局所応力の第一原理計算法開発 : 粒界の不純物偏析と局所弾性定数への適用(8pAE 格子欠陥(シミュレーション),領域10(構造物性(誘電体,格子欠陥,X線・粒子線,フォノン)))

香山 正憲; Somesh Bhattacharya; 王 昊; 田中 真悟; 椎原 良典

doi:10.11316/jpsgaiyo.69.2.4.0_696_2

Meeting Abstracts of the Physical Society of Japan

Online ISSN : 2189-0803
ISSN-L : 2189-0803

69.2.4

Session ID : 8pAE-11

DOI https://doi.org/10.11316/jpsgaiyo.69.2.4.0_696_2

Conference information

8pAE-11 Ab-Initio Local-Energy and Local-Stress Schemes : Applications to Impurity Segregation to Metallic Grain Boundaries and Local Elastic Moduli in Alloys

M. Kohyama, Somesh Bhattacharya, Hao Wang, S. Tanaka, Y. Shiihara

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