ポスターセッション

[P] P30~P36

Tue. Sep 20, 2022 1:00 PM - 2:30 PM FIT Arena

※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）

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1:00 PM - 2:30 PM

[P30] Creation of Ti-H sintered alloy using simulation with AI technology

*Yushi MORI¹, Yasuhiro Hosiyama², Tomoki Maruoka³ (1. 関西大学（院生）、2. 関西大学、3. 京都市産業技術研究所)

1:00 PM - 2:30 PM

[P31] Acceleration of phase-field solidification simulation by parallel-GPU mother-leaf AMR method

*Ryosuke SUZUKI¹, Shinji SAKANE¹, Tomohiro TAKAKI¹ (1. Kyoto Institute of Technology)

1:00 PM - 2:30 PM

[P32] Feature extraction and data reconstruction of atomic structure of polycrystalline materials with deep generative model

*Kohei SASE¹, Kota NODA¹, Yasushi SHIBUTA² (1. Univ. Tokyo, 2. Univ. Tokyo)

1:00 PM - 2:30 PM

[P33] First-principles calculations of effective interactions in high-entropy alloys and simulations of short-range order

*Kazuma OGUSHI¹, Kazunori SATO^2,3, Tomoyuki TERAI², Katsuhiro SUZUKI² (1. Graduate School of Engineering, Osaka Univ., 2. Graduate School of Engineering, Osaka Univ., 3. CSRN Osaka Univ.)

1:00 PM - 2:30 PM

[P34] First-principles calculations of bond characteristics and slip deformation behavior of MAX phases

*Satoshi Inaba¹, Hajime Kimizuka² (1. Nagoya Univ. (MC), 2. Nagoya Univ.)

1:00 PM - 2:30 PM

[P35] Construction of long-range EAM-type interatomic interaction model for dynamical analyses on long-periodic polytypism

*Shinya OGANE¹, KOJI MORIGUCHI¹ (1. Tohoku Univ.)

1:00 PM - 2:30 PM

[P36] Proton Conduction in Sr-doped Bi₄Ge₃O₁₂ Euritite Explored by Computational Screening

*Yuta SHIMIZU^1,3, Susumu FUJII^4,5, Junji HYODO³, Akihide KUWABARA⁵, Yoshihiro YAMAZAKI^2,3 (1. Kyushu university, Faculy of Engineering, 2. Kyushu university, Faculy of Engineering, 3. Kyushu university Platform of Inter-/Transdisciplinary Energy Research (Q-PIT)), 4. Osaka university, Faculy of Engineering, 5. Japan Fine Ceramics Center)

ポスターセッション

[P] P153~P159

Tue. Sep 20, 2022 3:30 PM - 5:00 PM FIT Arena

※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）

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3:30 PM - 5:00 PM

[P153] Prediction of oxygen non-stoichiometry in metal oxides using machine learning

*Masaki Shimomura¹, Kouta Tsujikawa¹, Junji Hyodo², Yoshihiro Yamazaki^2,3 (1. Kyushu University,Faculty of Engineering, 2. Kyushu University,Platform of Inter / Transdisciplinary Energy Research (Q-PIT), 3. Kyushu University,Faculty of Engineering)

3:30 PM - 5:00 PM

[P154] Composition dependence of solid-liquid interfacial energy of Ti-Al alloy by metadynamics

*Shusuke OSUGA¹, Kensho UENO¹, Yasushi SHIBUTA² (1. Univ. Tokyo, 2. Univ. Tokyo)

3:30 PM - 5:00 PM

[P155] Molecular dynamics simulation for high-precision prediction of thermal conductivity of metals in combination with machine learning

*Qi KONG¹, Yasushi SHIBUTA² (1. Univ. Tokyo, 2. Univ. Tokyo)

3:30 PM - 5:00 PM

[P156] Atomistic simulation of interstitial diffusion in CrCoNi medium-entropy-alloy with chemical ordering

*Yangen LI¹, Shigenobu Ogata¹ (1. Osaka University)

3:30 PM - 5:00 PM

[P157] Oxygen diffusion behavior during twinning deformation of titanium using diffusive molecular dynamics

*Toshiki ARIGA¹, Naoki MIYAZAWA², Susumu ONAKA² (1. 東京工業大学物質理工(院生)、2. 東京工業大学物質理工)

3:30 PM - 5:00 PM

[P158] Analysis of nucleation of Ni-rich solid solution in Ni-Al alloys by molecular dynamics simulation

*Koken Ohe¹, Yasushi Shibuta², Tomohiro Takaki³, Munekazu Ohno⁴ (1. Hokkaido Univ., 2. Univ. of Tokyo, 3. Kyoto Inst. Tech., 4. Hokkaido Univ.)

3:30 PM - 5:00 PM

[P159] Influence of grain boundaries on the stability of dislocation structures constituting persistent slip band: A molecular dynamics simulation

*Takuya Akiyama¹, Tomoaki Niiyama², Tomotsugu Simokawa² (1. Kanazawa Univ., 2. Kanazawa Univ.)

Sessions

11.Computational Science » Computational Science

[P] P30~P36

[P30] Creation of Ti-H sintered alloy using simulation with AI technology

[P31] Acceleration of phase-field solidification simulation by parallel-GPU mother-leaf AMR method

[P32] Feature extraction and data reconstruction of atomic structure of polycrystalline materials with deep generative model

[P33] First-principles calculations of effective interactions in high-entropy alloys and simulations of short-range order

[P34] First-principles calculations of bond characteristics and slip deformation behavior of MAX phases

[P35] Construction of long-range EAM-type interatomic interaction model for dynamical analyses on long-periodic polytypism

[P36] Proton Conduction in Sr-doped Bi₄Ge₃O₁₂ Euritite Explored by Computational Screening

[P] P153~P159

[P153] Prediction of oxygen non-stoichiometry in metal oxides using machine learning

[P154] Composition dependence of solid-liquid interfacial energy of Ti-Al alloy by metadynamics

[P155] Molecular dynamics simulation for high-precision prediction of thermal conductivity of metals in combination with machine learning

[P156] Atomistic simulation of interstitial diffusion in CrCoNi medium-entropy-alloy with chemical ordering

[P157] Oxygen diffusion behavior during twinning deformation of titanium using diffusive molecular dynamics

[P158] Analysis of nucleation of Ni-rich solid solution in Ni-Al alloys by molecular dynamics simulation

[P159] Influence of grain boundaries on the stability of dislocation structures constituting persistent slip band: A molecular dynamics simulation

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