日本金属学会2024年秋期(第175回)講演大会
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Session Details

一般講演11.Computational Science : Computational Science

[G]Computational Materials Science / Data Science I

Thu. Sep 19, 2024 9:00 AM - 12:00 PM JST
Thu. Sep 19, 2024 12:00 AM - 3:00 AM UTC
Room A A001 basement 1st floor Building A Center for Education in Liberal Arts and Sciences
Chair:Yoshihiro Gohda

※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）
9:00 AM - 9:15 AM JST(12:00 AM - 12:15 AM UTC)

[1]Validation of a Universal Machine Learning Potential for Metallic Materials

*Akihiro Nagoya1, Taku Watanabe1 (1. PFCC)
9:15 AM - 9:30 AM JST(12:15 AM - 12:30 AM UTC)

[2]The mechanism study of superhydride synthesis using machine learning potential molecular dynamics

*Ryuhei Sato1, Lewis Conway2, Di Zhang3, Chris Pickard2, Kazuto Akagi3, Kartik Sau3, Li Hao3, Shin-ichi Orimo3 (1. Univ. Tokyo, 2. Cambridge Univ., 3. Tohoku Univ.)
9:30 AM - 9:45 AM JST(12:30 AM - 12:45 AM UTC)

[3]Verification of a versatile atom-level simulator for exploring magnetic materials

*Yasutomi Tatetsu1, Kenshi Matsumoto2, Ryota Sato2, Toshiharu Teranishi2,3 (1. Meio Univ., 2. Institute for Chemical Research, Kyoto Univ., 3. Grad. School of Sci., Kyoto Univ.)
9:45 AM - 10:00 AM JST(12:45 AM - 1:00 AM UTC)

[4]First-principles calculations on the effect of interstitial oxygen on structural, thermodynamic and elastic properties of titanium-oxygen alloys

*Peter Mwangi1, Akira Otsu1, Tetsuhiko Onda1, Zhong-Chun Chen1 (1. Tottori Univ)
10:00 AM - 10:15 AM JST(1:00 AM - 1:15 AM UTC)

[5]Interstitial nonmetallic solute segregation and their influence on the strength of Ti (10-12) twin boundary

*Sangjun Lee1,2, Kiyou Shibata2, Teruyasu Mizoguchi2 (1. MSE, Yonsei Univ., Korea、2. IIS, UTokyo)
10:15 AM - 10:30 AM JST(1:15 AM - 1:30 AM UTC)

[6]Method for selecting optimal materials using nonlinear dimensional compression and hierarchical clustering

*Hiromasa SUGANO1, Norio Nunomura2 (1. University of Toyama (graduate student), 2. University of Toyama)
10:30 AM - 10:45 AM JST(1:30 AM - 1:45 AM UTC)

break

10:45 AM - 11:00 AM JST(1:45 AM - 2:00 AM UTC)

[7]On the concentration dependency of size-misfit in solid solution hardening

*Tetsuo MOHRI1 (1. Hokkaido Univ.)
11:00 AM - 11:15 AM JST(2:00 AM - 2:15 AM UTC)

[8]Lattice expansion with lattice vibration and local relaxation effects studied by CDCVM

*Tetsuo MOHRI1 (1. Hokkaido Univ.)
11:15 AM - 11:30 AM JST(2:15 AM - 2:30 AM UTC)

[9]Efficient evaluation of Gibbs free energy incorporating thermal expansion

*Kota HASHIMOTO1, Tomonori TANAKA2, Yoshihiro GOHDA2 (1. Dept. Mater. Sci. Eng., Tokyo Tech (M), 2. Dept. Mater. Sci. Eng., Tokyo Tech)
11:30 AM - 11:45 AM JST(2:30 AM - 2:45 AM UTC)

[10]Investigation of spinodal behavior in Cu-Sn alloys

*Dinghao Wu1, YONGPENG TANG1, Hiroshi Akamine1, Yusuke Shimada1, Satoshi Iikubo1, Tatsuya Tokunaga2 (1. Kyushu Univ, 2. Kyutech)
11:45 AM - 12:00 PM JST(2:45 AM - 3:00 AM UTC)

[11]Structural stability study of Laves phases made of refractory metal elements using electronic structure calculation

*Satoshi TAKIZAWA1, Seiji MIURA1 (1. Faculty of Engineering, Hokkaido University)
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