日本金属学会2022年秋期(第171回)講演大会
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Session Details

一般講演11.Computational Science : Atomistic Structures/Microstructures/Properties/Functions

[G]Atomistic Structures/Microstructures/Properties/Functions

Wed. Sep 21, 2022 12:30 PM - 2:55 PM JST
Wed. Sep 21, 2022 3:30 AM - 5:55 AM UTC
Rm. E D24,2Flr. Build.D
Chair: Katsuyuki Matsunaga(Nagoya Univ.),Yukinobu Natsume(Akita Univ.)
※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）
12:30 PM - 1:00 PM JST(3:30 AM - 4:00 AM UTC)

[101]Electron structure analysis of Be intermetallics and search of electronic descriptors for predicting chemical properties

*Keisuke MUKAI1, Ryuta KASADA2, Jae-Hwan KIM3, Masaru NAKAMICHI3 (1. Kyoto Univ. IAE, 2. Tohoku Univ. IMR, 3. QST)
1:00 PM - 1:15 PM JST(4:00 AM - 4:15 AM UTC)

[102]Theoretical investigations of lattice relaxation by CDCVM

*Tetsuo MOHRI1 (1. Hokkaido University/JST)
1:15 PM - 1:30 PM JST(4:15 AM - 4:30 AM UTC)

[103]First-principles analysis using QSGW for multiplet excitation of rare-earth ions

*Katsuhiro Suzuki1, Kazunori Sato1,2, Takao Kotani2,3 (1. Osaka Univ., 2. CSRN-osaka, 3. Tottori Univ,)
1:30 PM - 1:45 PM JST(4:30 AM - 4:45 AM UTC)

[104]QSGW based systematic analysis of excited states and model construction of transition metal luminescence centers in α-Al2O3

*Harutaka SAITO1, Katsuhiro SUZUKI2, Kazunori SATO2,3, Takao KOTANI3,4 (1. Osaka Univ. (Graduate), 2. Osaka Univ., 3. CSRN-Osaka, 4. Tottori Univ.)
1:45 PM - 1:55 PM JST(4:45 AM - 4:55 AM UTC)

break

1:55 PM - 2:10 PM JST(4:55 AM - 5:10 AM UTC)

[105]Phase-field analysis of the effect of carbon diffusion path on the growth rate of pearlite and the γ/α interface shape in Fe–C system

*Yumika SUZUKI1, Yuhki TSUKADA2, Toshiyuki KOYAMA2 (1. 名古屋大工（院生）、2. 名古屋大工)
2:10 PM - 2:25 PM JST(5:10 AM - 5:25 AM UTC)

[106]Simulation Analysis of Microsegregation due to Massive-like Transformation in a Peritectic Solidified Steel

*Chihiro Awa1, Munekazu Ohno2 (1. Hokkaido Univ., 2. Hokkaido Univ.)
2:25 PM - 2:40 PM JST(5:25 AM - 5:40 AM UTC)

[107]Calculation of mechanical property of composite based on the self-consistent secant method

*Takuto KORENAGA1, Yuhki TSUKADA2, Toshiyuki KOYAMA2 (1. Grad. Sch. of Eng., Nagoya Univ., 2. Eng., Nagoya Univ.)
2:40 PM - 2:55 PM JST(5:40 AM - 5:55 AM UTC)

[108]Conditions for occurrence of homogeneous nucleation in AB-alloys by CA model

*Takashi ARAI1, Puwadet Sutipanya (1. National Defense Academy)
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