*Kazuma Ito¹, Tatsuya Yokoi², Katsutoshi Hyodo¹, Hideki Mori³ (1. Nippon Steel Corporation, 2. Nagoya University, 3. College of Industrial Technology)

12:15 PM - 12:30 PM

[49] Development of Autonomous Materials Screening Methods Using Transfer Learning

*Akira TAKAHASHI¹, Keita KONO², Yu KUMAGAI³, Fumiyasu OBA¹ (1. Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology, 2. Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology (Graduate Student), 3. Institute for Materials Research, Tohoku University)

ポスターセッション

[P] P14~P18

Tue. Mar 12, 2024 2:00 PM - 3:30 PM 3F Library Hall Bldg.

+Add all to schedule

2:00 PM - 3:30 PM

[P14] Evaluation of material parameters of composite microstructures based on the inverse problem
incorporated with automatic differentiation

*Reo KAWAMOTO¹, Yuhki TSUKADA², Toshiyuki KOYAMA² (1. Nagoya Univ. Graduate School of Engineering(Bachelor), 2. Nagoya Univ. Graduate School of Engineering)

2:00 PM - 3:30 PM

[P15] Estimation of grain boundaries in cemented carbide using deep learning

*Yuya Kishida¹, Nobuo Miyasaka² (1. Sumitomo Electric Industries, LTD., 2. Sumitomo Electric Hardmetal Corp.)

2:00 PM - 3:30 PM

[P16] Ab Initio Calculations of Point Defects and Self-Trapped Electrons in La₂SnO₂S₃

*Teruya NAGAFUJI¹, Tomoya GAKE¹, Soungmin BAE¹, Akira TAKAHASHI¹, Fumiyasu OBA¹ (1. Tokyo Institute of Technology)

2:00 PM - 3:30 PM

[P17] Off-stoichiometric Effect on Properties of B1-type Ti (C,N,O)_x

*Hiromu MATSUURA¹, Shuntaro Ida², Kyosuke Yoshimi² (1. Graduate School of Engineering, Tohoku University, 2. Department of Materials Science, Tohoku University)

2:00 PM - 3:30 PM

[P18] First-principles study on ion intercalation in twisted bilayer graphene

*Yebin LEE¹, Kiyou SHIBATA², Teruyasu MIZOGUCHI² (1. Sch. Eng., The Univ. Tokyo, 2. IIS, The Univ. Tokyo)

ポスターセッション

[P] P105~P109

Tue. Mar 12, 2024 4:00 PM - 5:30 PM 3F Library Hall Bldg.

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4:00 PM - 5:30 PM

[P105] Extension of JMAK theory and the application to inverse problems using automatic differentiation

*KAZUHIRO YOSHIDA¹, TOSHIYUKI KOYAMA², YUHKI TSUKADA² (1. 名古屋大工（学生）、2. 名古屋大工)

4:00 PM - 5:30 PM

[P106] Statistical Analysis of Local Structure and Physical Properties of Bi-Based Oxides

*Ryosuke NAKAGAWA¹, Akira TAKAHASHI², Nobuya SATO², Tianwei WANG³, Fumiyasu OBA² (1. 東工大科創研（院生）、2. 東工大科創研、3. 神奈川産技研)

4:00 PM - 5:30 PM

[P107] Effects of microstructure on tensile properties and microcracking behavior of the MoSiBTiC alloy at room temperature

*JUNFENG DU¹, Chihana Kudo¹, Shuntaro Ida², Eri Nakagawa³, Takahito Ohmura³, Kyosuke Yoshimi² (1. Tohoku Univ.(Graduate school), 2. Tohoku Univ., 3. NIMS)

4:00 PM - 5:30 PM

[P108] Development of composition optimization methods for high-entropy alloy materials toward hydrogen evolution reaction catalysts

*Koki Otsuka¹, Koji Shimizu¹, Satoshi Watanabe¹ (1. Utokyo)

4:00 PM - 5:30 PM

[P109] 4D-STEM Simulation of the Deformation Process of Amorphous Alloy

*Harumasa Fujii¹, Shigenobu Ogata², Shuhei Shinzato², Momoji Kubo³, Takahito Inoue¹, Motoki Ohta¹, Naomi Hirayama¹, Kazuto Arakawa¹ (1. 島根大学、2. 大阪大学、3. 東北大学)

Sessions

11.Computational Science » Computational Science

[G] Computational Materials Science and Data Science

[39] Accurate calculation of point defect energetics in non-metals and its applications

[40] Self-consistent phonon calculations of Ti and Ti-based alloys

[41] Lattice relaxation and Phase transition temperature studied by CDCVM

[42] Elastic Constants Calculation for FCC Binary Alloys with Cluster Expansion Method

[43] The role of vacancy on the formation of deformation twins in Cu alloys

[44] A long-range perturbation-type pair potential to describe close-packed polytypism

[G] Computational Materials Science and Data Science

[45] Application of Numerical Simulation in Microstructural Control Using Recrystallization and Grain growth

[46] Investigation of residual pore formation mechanism by Monte Carlo sintering simulation

[47] Numerical Analysis of Precipitation Kinetics in Cu–Co–P Alloy Based on Dislocation Recovery Model and N Model

[48] Construction of machine-learning interatomic potential for α-Fe and evaluation of its applicability to general grain boundaries

[49] Development of Autonomous Materials Screening Methods Using Transfer Learning

[P] P14~P18

[P14] Evaluation of material parameters of composite microstructures based on the inverse problem
incorporated with automatic differentiation

[P15] Estimation of grain boundaries in cemented carbide using deep learning

[P16] Ab Initio Calculations of Point Defects and Self-Trapped Electrons in La₂SnO₂S₃

[P17] Off-stoichiometric Effect on Properties of B1-type Ti (C,N,O)_x

[P18] First-principles study on ion intercalation in twisted bilayer graphene

[P] P105~P109

[P105] Extension of JMAK theory and the application to inverse problems using automatic differentiation

[P106] Statistical Analysis of Local Structure and Physical Properties of Bi-Based Oxides

[P107] Effects of microstructure on tensile properties and microcracking behavior of the MoSiBTiC alloy at room temperature

[P108] Development of composition optimization methods for high-entropy alloy materials toward hydrogen evolution reaction catalysts

[P109] 4D-STEM Simulation of the Deformation Process of Amorphous Alloy

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