日本金属学会2024年秋期(第175回)講演大会

Presentation information

一般講演

11.Computational Science » Computational Science

[G] Computational Materials Science / Data Science I

Thu. Sep 19, 2024 9:00 AM - 12:00 PM Room A (A001 basement 1st floor Building A Center for Education in Liberal Arts and Sciences)

Chair:Yoshihiro Gohda

11:00 AM - 11:15 AM

[8] Lattice expansion with lattice vibration and local relaxation effects studied by CDCVM

*Tetsuo MOHRI1 (1. Hokkaido Univ.)

Keywords:格子膨張、格子振動、局所変位、連続変位クラスター変分法、クラスター変分法

格子の膨張の温度依存性を、原子配列+格子振動+局所変位の3つの効果を導入して計算した。

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