Session Details

[G]Computational Materials Science and Data Science

Sun. Mar 9, 2025 9:00 AM - 11:30 AM JST
Sun. Mar 9, 2025 12:00 AM - 2:30 AM UTC
Room M(202 2nd floor Building No.12)
Chair:君塚 肇(名古屋大学)、豊浦 和明(京都大学)
※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)

[330]Canceled Presentation

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[331]Quantitative evaluation of atomic diffusion in solids with carrier interactions by Bias-Exchange Metadynamics

*Shunya YAMADA1, Kazuaki Toyoura1 (1. Kyoto Univ.)
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[332]Sequence Rule of Alternating Series and Its Role in Phase Transition

*Hiroshi KUBO1 (1. Shizuoka Institue of Science and Technology)
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[333]Construction of Kinetics Theory of the Pair Unit-cell Model in Phase Transition

*Hiroshi Kubo1 (1. Shizuoka Institute of Science and Technology)
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[334]Theoretical Calculation of the Free Energy of Fe Grain Boundaries with Structural Fluctuations

*Toshihiro FUTAZUKA1, Masaki ARAI1, Takehito SEKI1,2, Nobusato MORISHIGE3, Ryo Matsubara3, Yuichi IKUHARA1,4, Naoya SHIBATA1,4 (1. Univ. of Tokyo, 2. JST PRESTO, 3. Nippon Steel, 4. JFCC)
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[335]STEM observation and theoretical calculation of structural fluctuation in silicon steel grain boundaries

*Masaki ARAI1, Toshihiro FUTAZUKA1, Takehito SEKI1,2, Nobusato MORISHIGE3, Ryo MATSUBARA3, Yuichi IKUHARA1,4, Naoya SHIBATA1,4 (1. Univ. of Tokyo, 2. JST PRESTO, 3. Nippon Steel, 4. JFCC)
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[336]Entropy in alloys and Continuous Displacement Cluster Variation Method

*Tetsuo MOHRI1 (1. Hokkaido University)
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[337]First-principles calculations of electron-phonon couplings in Ti

*Kota HASHIMOTO1, Tomonori TANAKA1, Yoshihiro GOHDA1 (1. Dept. Mater. Sci. Eng., Science Tokyo)
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