Year 2026 Fall Annual Meeting of JIMM
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Session Details

ポスターセッション11.Computational Science

[P]P24~P35 Computational Science

Wed. Sep 23, 2026 1:30 PM - 3:00 PM JST
Wed. Sep 23, 2026 4:30 AM - 6:00 AM UTC
Poster Session Room(Small Gymnasium)

[P24]Decoupling Structural and Bonding Effects on Ferroelectricity in ScAlN via Electric-Field-Induced Molecular Dynamics

○Ryotaro Sahashi1, Po-Yen Chen1, Teruyasu Mizoguchi1,2 (1. Univ. of Tokyo Eng, 2. Univ. of Tokyo IIS)
Comment()

[P25]Thermodynamic Analysis toward Theoretical Phase Diagram Development for U-Zr Alloys and UraniumOxides

○Koki Tanabe1, Masanori Enoki1, Yongpeng Tang1, Taichi Abe2 (1. Shimane University, 2. National Institute for Materials Science)
Comment()

[P26]First-Principles Study on Dopant Effects and Electrical Transport Properties of Ti-Zr based Materials

○Masato Fukushima1, David S. Rivera Rocabado1,2, Yusuke Kanematsu1, Takayoshi Ishimoto1 (1. Hiroshima Univ., 2. Osaka Metro. Univ.)
Comment()

[P27]Analysis of Alloy-Dependent Features Reflected in Fracture Surfaces

○Yuma Takenaka1, Tokuteru Uesugi1, Naoyuki Hamada2, Shunsuke Kita2, Genshiro Sawa2, Tomotake Hirata2 (1. Osaka Metro. Univ., 2. Osaka Research Institute of Industrial Science and Technology)
Comment()

[P28]Electronic Structure Analysis of Heterogeneous Catalysts During CO Adsorption and Dissociation

○Takeru Kizu1, David Sumuel Rivera Rocabado2, Yusuke Kanematsu1, Takayoshi Ishimoto1 (1. Hiroshima Univ., 2. Osaka Metro. Univ.)
Comment()

[P29]機械学習による焼結シミュレーションを利用したTi-H系焼結合金の水素量制御

○Jun Yonehana1, Yasuhiro Hoshiyama2, Tomoki Maruoka3 (1. Kansai Univ.(graduate student)), 2. Kansai Univ., 3. Kyoto Municipal Institute of Industrial Technology and Culture)
Comment()

[P30]Grain Boundary Energy-Conditioned Inverse Design via symmetry constrained diffusion model

○Kazuya Miyamoto1,2, Ibuki Okuda1,2, Teruyasu Mizoguchi1 (1. IIS, UTokyo, 2. School of Engineering, UTokyo)
Comment()

[P31]First-Principles Investigation of the Mechanism Underlying Selectivity of CO2 Reduction on Bi Surfaces

○Kobayashi Takehiro1, Teruyasu Mizoguchi1, Syunsuke Yagi1 (1. The University of Tokyo)
Comment()

[P32]α-Al2O3におけるY偏析粒界破面の原子構造解析

○Kazuya Kinoshita1, Tatsuya Yokoi1, Yu Ogura1, Katsuyuki Matsunaga1,2 (1. Nagoya Univ., 2. JFCC)
Comment()

[P33]Theoretical analysis of atomic structure and lattice thermal conduction at grain boundaries in Mg2Si

○Shunsuke Sakaki1, Tatsuya Yokoi1, Yu Ogura1, Katsuyuki Matsunaga1,2 (1. Nagoya Univ., 2. JFCC)
Comment()

[P34]Computational Prediction of Hydrogen Diffusivities in Vanadium: Interaction between Quantum Fluctuations and Vacancy Trapping

○Sota Oshiba1, Hajime Kimizuka1, Akihiro Mitsuhara2,3 (1. Nagoya　Univ., 2. Univ. Osaka, 3. Univ. Osaka 3DPTec Integrated Center)
Comment()

[P35]First-Principles study of Solute Distribution and Stacking Fault Energy in Cu Alloys

○Shiori Kuroda1, Yongpeng Tang1, Satoshi Semboshi1, Masanori Enoki1 (1. Shimane Univ.)
Comment()
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