日本金属学会2022年春期(第170回)講演大会
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Session Details

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

[G]Computational Science/Atomistic

Wed. Mar 16, 2022 1:00 PM - 2:30 PM JST
Wed. Mar 16, 2022 4:00 AM - 5:30 AM UTC
Rm. B
座長:佐原 亮二(国立研究開発法人　物質・材料研究機構)
※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）
1:00 PM - 1:15 PM JST(4:00 AM - 4:15 AM UTC)

[55]First-Principles Calculations of Local Structures and Charge Transition Levels of Interstitial Hydrogen Impurities in Metal Oxides

*NAOKI TSUNODA1, YU KUMAGAI2, FUMIYASU OBA2 (1. Tokyo Tech (D2), 2. Tokyo Tech)
1:15 PM - 1:30 PM JST(4:15 AM - 4:30 AM UTC)

[56]First-Principles Study of Point Defects in Layered Oxychalcogenide La2CdO2Se2

*Tomoya GAKE1, Yu KUMAGAI2, Fumiyasu OBA2 (1. Tokyo Tech (D2), 2. Tokyo Tech)
1:30 PM - 1:45 PM JST(4:30 AM - 4:45 AM UTC)

[57]Effect of doping elements on the stability and volume of the C15 Laves phase ZrCr2

*Theresa Davey1, Ying Chen1 (1. Tohoku University School of Engineering)
1:45 PM - 2:00 PM JST(4:45 AM - 5:00 AM UTC)

[58]Time developments of partial structure factors of β-phase during nucleus growth

*Takashi ARAI1, Puwadet Sutipanya1 (1. National Defense Academy, Applied Physics)
2:00 PM - 2:15 PM JST(5:00 AM - 5:15 AM UTC)

[59]Development of continuous cluster activation method and its application to grain growth

*Ryo YAMADA1, Munekazu OHNO1 (1. Hokkaido University)
2:15 PM - 2:30 PM JST(5:15 AM - 5:30 AM UTC)

[60]Consideration of solid solution states and diffusion behavior of B-atom pairs in FCC-Fe based on electron theory

*Masanori ENOKI1, Hiroshi OHTANI2 (1. Tohoku Univ., IMRA, 2. Toyota PCRI)
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