[G] Computatational Materials Science / Data Science | 日本金属学会2023年秋期(第173回)講演大会

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Session Details

一般講演11.Computational Science : Atomistic Structures/Microstructures/Properties/Functions

[G]Computatational Materials Science / Data Science

Thu. Sep 21, 2023 9:30 AM - 11:45 AM JST
Thu. Sep 21, 2023 12:30 AM - 2:45 AM UTC

Rm. L 3rd Flr. Education and Research Building, School of Engineering

Chair:Momoji Kubo

※表示の講演時間には質疑応答時間も含みます。
（質疑応答時間5分、基調講演と招待講演は5～10分）

9:30 AM - 9:45 AM JST(12:30 AM - 12:45 AM UTC)

[306]The effects of lattice relaxations on Cu-Au phase equilibria

*Tetsuo MOHRI¹, Ying CHEN², Toshiaki HORIUCHI³ (1. Hokkaido Univ., 2. Tohoku Unv., 3. Hokkaido Univ. Science)

9:45 AM - 10:00 AM JST(12:45 AM - 1:00 AM UTC)

[307]Kanzaki force and Born von Karman tensor in the Cu-Au system

*Tetsuo MOHRI¹ (1. Hokkaido Univ.)

10:00 AM - 10:15 AM JST(1:00 AM - 1:15 AM UTC)

[308]Study of Ti-Al-Nb alloys by the cluster-expansion method

*Yuta Maruo¹, Hirotoyo Nakashima², Masao Takeyama², Yoshihiro Gohda² (1. Dept. Mater. Sci. Eng., Tokyo Tech (M2), 2. Dept. Mater. Sci. Eng., Tokyo Tech)

10:15 AM - 10:30 AM JST(1:15 AM - 1:30 AM UTC)

[309]Exhaustive Search for Ferroelectrics Based on High-Throughput First-Principles Calculations

*Daisuke Hirai¹, Tomoki Murata¹, Sakyo Hirose¹ (1. Murata Manufacturing Co., Ltd.)

10:30 AM - 10:45 AM JST(1:30 AM - 1:45 AM UTC)

break

10:45 AM - 11:00 AM JST(1:45 AM - 2:00 AM UTC)

[310]Microscopic interface structure of Ni-based superalloys upon AM solidification

*REN YOSHII¹, SUSUMU FUJII^1,2, MASATO YOSHIYA^1,2 (1. 大阪大学大学院工学研究科マテリアル生産科学専攻、2. 異方性カスタム設計・AM研究開発センター)

11:00 AM - 11:15 AM JST(2:00 AM - 2:15 AM UTC)

[311]Derivation of Interatomic Potentials and Calculations of Thermal Conductivity for Cu-Zn-Sn-S quasi-ternary sulfides

*Ryuki AKITAKE¹, Susumu FUJII^1,2, Yoshiya MASATO^1,2 (1. 大阪大学　大学院工学研究科　マテリアル生産科学専攻、2. JFCC　ナノ構造研究所)

11:15 AM - 11:30 AM JST(2:15 AM - 2:30 AM UTC)

[312]Dominant factors determining atomic structure and lattice thermal conductivity in Si grain boundary using machine learning potential

*Iori TANAKA¹, Susumu FUJII^2,3, Masato YOSHIYA^2,3 (1. Graduate school, Osaka Univ., 2. Osaka Univ., 3. JFCC)

11:30 AM - 11:45 AM JST(2:30 AM - 2:45 AM UTC)

[313]Global crystal structure prediction using machine learning potential in the binary Al−Cu alloy system

*Hayato WAKAI¹, Atsuto SEKO¹, Isao TANAKA¹ (1. Kyoto Univ.)

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