[S6] S6.New Materials Science on Nanoscale Structures and Functions of Crystal Defect Cores, IV(1) | 日本金属学会2023年秋期(第173回)講演大会

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Session Details

公募シンポジウム講演

[S6]S6.New Materials Science on Nanoscale Structures and Functions of Crystal Defect Cores, IV(1)

Wed. Sep 20, 2023 10:00 AM - 11:40 AM JST
Wed. Sep 20, 2023 1:00 AM - 2:40 AM UTC

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

座長:吉矢真人(大阪大学)

※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）

10:00 AM - 10:40 AM JST(1:00 AM - 1:40 AM UTC)

[S6.1]Computational modeling and design of nanostructures of crystal defect cores

*Katsuyuki MATSUNAGA^1,2 (1. Nagoya University, 2. Japan Fine Ceramics Center)

10:40 AM - 10:55 AM JST(1:40 AM - 1:55 AM UTC)

[S6.2]DFT calculations of dislocation core structures in GaP

*Sena HOSHINO¹, Yu OGURA², Tatsuya YOKOI², Katsuyuki MATSUNAGA^2,3 (1. 名大工(院生)、2. 名大工、3. JFCC)

10:55 AM - 11:10 AM JST(1:55 AM - 2:10 AM UTC)

[S6.3]Modelling and structure prediction of incoherent interfaces

*Kazutoshi INOUE^1,2, Qian Chen¹, Kazuaki Kawahara³, Mitsuhiro Saito³, Motoko Kotani¹, Yuichi Ikuhara^1,3,4 (1. WPI-AIMR, Tohoku Univ., 2. JST, 3. Inst. Eng. Innov., The Univ. Tokyo, 4. JFCC)

11:10 AM - 11:25 AM JST(2:10 AM - 2:25 AM UTC)

[S6.4]Quantum Thermal Bath Effects on First-Principles Langevin Molecular Dynamics

*Kansei KANAYAMA¹, Kazuaki Toyoura² (1. 京大工（院生）、2. 京大工)

11:25 AM - 11:40 AM JST(2:25 AM - 2:40 AM UTC)

[S6.5]Machine Learning-Based Analysis of Ground State Atomic and Electronic Structure from ELNES/XANES

*Izumi TAKAHARA¹, Kiyou Shibata², Teruyasu Mizoguchi² (1. Sch. Eng., UTokyo, 2. IIS, UTokyo)

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