Year 2026 Fall Annual Meeting of JIMM
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ポスターセッション11.Computational Science

[P]P166~P176 Computational Science

Wed. Sep 23, 2026 3:30 PM - 5:00 PM JST
Wed. Sep 23, 2026 6:30 AM - 8:00 AM UTC
Poster Session Room(Small Gymnasium)

[P166]Formation Energy Evaluation of Sm-Based Magnet Compounds by Systematic Comparison of First-Principles Calculations with Experimental and Thermodynamic Data

○Masato Suga1, Masanori Enoki1, Yongpeng Tang1 (1. Shimane University)
Comment()

[P167]Investigation of a Mo-W Binary Model Toward the Development of Machine Learning Interatomic Potentials for Mo-Based Alloys

○Mohan Liu1, Takahiro Kaneko1, Kyosuke Yoshimi1 (1. Tohoku University)
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[P168]First-Principles Study on Potential Dependence of Water Cluster Structures on Electrode Surfaces

○Ren Yamaoka1, David Samuel Rivera Rocabado1,2, Yusuke Kanematsu1, Takayoshi Ishimoto1 (1. Hiroshima Univ., 2. Osaka Metro. Univ.)
Comment()

[P169]Machine learning prediction of strength and corrosion resistance in steam-coated Al alloys based on processing conditions and alloy composition

○Ushio Inomata1, Ryo Tamura2, Yosuke Abe3, Tomohito Tsuru3, Ai Serizawa4 (1. Graduate School of Eng. and Sci., Shibaura Inst. of Technol., 2. NIMS, 3. JAEA, 4. College of Eng., Shibaura Inst. of Technol.)
Comment()

[P170]Machine Learning-Driven Prediction of Microstructure-Strength Relationships in MoSiBTiC Alloys

○JUNFENG DU1, Chihana Kudo2, Shunto Obana2, Takahiro Kaneko1, Kyosuke Yoshimi1 (1. Tohoku Univ., 2. Tohoku Univ. (Graduate student))
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[P171]機械学習による二段階焼結シミュレーションにより作製したTi-H系焼結合金の水素量評価

○Yoshiki Ono1, Yasuhiro Hosiyama2, Tomoki Maruoka3 (1. Kansai Univ. (graduate student), 2. Kansai Univ., 3. Kyoto Municipal Institute of Industial Technology and Culture)
Comment()

[P172]Analysis of crystal structure similarity using dimension reduction of XRD patterns in ternary system

○Taichi Takeyama1, D. Wu¹, N. Sekiguchi ¹, H. Ito ¹, Y. Shimada¹, S. Iikubo¹ (1. Kyushu Univ. IGSES)
Comment()

[P173]Evaluation of the temperature dependence of dislocation cross-slip based on machine learning potential for Ni and free energy calculations

○Tomohiro Ishigami1,2, Masato wakeda1, takahito ohmura1,2 (1. National Institute for Materials Science, 2. Kyushu Univerisy)
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[P174]α-Al2O3における２価陽イオンの粒界偏析構造の理論解析

○Hiroshi Morigaki1, Tatsuya Yokoi1, Yu Ogura1, Katsuyuki Matsunaga1,2 (1. Nagoya Univ., 2. JFCC)
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[P175]First-principles analysis of CO poisoning effects on hydrogen dissociation and adsorption on Pd surfaces

○Riichi Watanabe1, Akihiro Mitsuhara2,3, Hajime Kimizuka1 (1. Nagoya Univ., 2. Osaka Univ., 3. Univ. Osaka 3DPTec Integrated Center)
Comment()

[P176]VASPを用いた液体状態金属の自由エネルギー計算の高速化・高精度化

○Daiki Hinayama1, Masanori Enoki1, Yongpeng Tang1 (1. Shimane Univ.)
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