一般講演

[G] Computatational Materials Science / Data Science

Thu. Sep 21, 2023 9:30 AM - 11:45 AM 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）

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9:30 AM - 9:45 AM

[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

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

*Tetsuo MOHRI¹ (1. Hokkaido Univ.)

10:00 AM - 10:15 AM

[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

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

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

break （10:30 AM - 10:45 AM）

10:45 AM - 11:00 AM

[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

[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

[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

[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.)

一般講演

[G] Computational Materials Science/ Data Science

Thu. Sep 21, 2023 1:30 PM - 4:00 PM Rm. L (3rd Flr. Education and Research Building, School of Engineering)

座長:尾方成信(大阪大学)、圓谷　貴夫(熊本大学)

※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）

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1:30 PM - 1:45 PM

[314] First Principles Calculations of Selective Laser Melted Titanium with Different Oxygen Contents

*PeterNdungu MWANGI¹, Akira Otsu¹, Tetsuhiko Onda², Zhong-Chun Chen² (1. Graduate School,Tottori Univ., 2. Tottori Univ.)

1:45 PM - 2:00 PM

[315] Ab-Initio Molecular Dynamics Study on the Shear Viscosity Based on Green-Kubo Formula for a Supercooled Liquid of LPSO-type Mg–Zn–Y alloys

*Takao TSUMURAYA¹, Kohei SHIMAMURA², Akihide KOURA², Soya NISHIMOTO¹, Fuyuki Shimojo², Yoshihito Kawamura¹ (1. MRC, Kumamoto Univ., 2. Faculty of Adv. Sci. Tech., Kumamoto Univ.)

2:00 PM - 2:15 PM

[316] First-Principles Calculations of the Mechanism of Kink Development in Metallic Crystals

*Yuto ITO¹, Daisuke Egusa², Masatake Yamaguchi^2,3, Eiji Abe^2,4 (1. Univ. of Tokyo(Student), 2. Univ. of Tokyo, 3. JAEA, 4. NIMS)

2:15 PM - 2:30 PM

[317] Structural analysis and interstitial site extraction in bcc Fe grain boundaries by persistent homology analysis

*Bohao Zheng¹, Yongjie Zhang², Masato Wakeda³, Goro Miyamoto², Tadashi Furuhara² (1. Graduate School of Engineering, Tohoku Univ., 2. IMR, Tohoku Univ., 3. NIMS)

break （2:30 PM - 2:45 PM）

2:45 PM - 3:00 PM

[318] Simulation of microstructural evolution during active metal brazing with Ag-Cu-Sn-Ti alloy by CALPHAD coupled phase-field method

*Takumi Morino¹, Shoichi Hirosawa², Machiko Ode³, Taichi Abe³, Yoichiro Mori⁴, Seiichi Suenaga⁴ (1. Yokohama National Univ（Student）, 2. Yokohama National Univ, 3. National Institute of Materials Science, 4. Toshiba Materials Co.,Ltd.)

3:00 PM - 3:15 PM

[319] Formation of an onion-like structure through spinodal decomposition investigated with the phase field method

*Satoshi TAKIZAWA¹, Seiji Miura¹ (1. Hokkaido Unuv.)

3:15 PM - 3:30 PM

[320] Analysis of inverse problem in diffusion process using physics informed neural network

*Masaki TSUBOI¹, Ryo YAMADA¹, Munekazu OHNO¹ (1. Hokkaido Univ.)

3:30 PM - 3:45 PM

[321] Strain prediction using multimodal deep learning in Mg/LPSO two phase alloys

*Daiki KURIKI¹, Fabien BRIFFOD², Takayuki SHIRAIWA², Manabu ENOKI² (1. The University of Tokyo, 2. The University of Tokyo)

3:45 PM - 4:00 PM

[322] Thermal conductivity and fluid permeability analysis of open-cell porous aluminum using three-dimensional images obtained by a deep generative model

*Itsuki Kato¹, Asuka Suzuki², Naoki Takata³, Makoto Kobashi⁴ (1. Nagoya Univ.(Graduate student), 2. Nagoya Univ.(Assistant professor), 3. Nagoya Univ.(Associate professor), 4. Nagoya Univ.(Professor))

Sessions

11.Computational Science » Atomistic Structures/Microstructures/Properties/Functions