ポスターセッション

[P] P1~P6

Wed. Sep 18, 2024 12:00 PM - 1:30 PM Poster Session Room1 (Assembly Hall at Osaka Univ. Hall)

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12:00 PM - 1:30 PM

[P1] Evaluation of hydrogen uniformity of Ti-H sintered alloy using machine learning simulation

*Taichi Watanabe¹, Yasuhiro Hoshiyama², 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)

12:00 PM - 1:30 PM

[P2] Exhaustive QSGW calculations of semiconductors and construction of prediction model of band gap energy

*Shota TAKANO¹, Katsuhiro Suzuki², Kazunori Sato^1,3,4, Takao Kotani^3,5 (1. Osaka Univ., 2. NIT Niihama Coll., 3. Osaka Univ., 4. Osaka Univ., 5. Tottori Univ.)

12:00 PM - 1:30 PM

[P3] 3D image analysis of NiMnGa/Fe particle-dispersed resin composites using deep learning

*Sosuke YASUZAWA¹, Koichi OZAKI¹, Tasuku FUJINO¹, Naoki NOHIRA¹, Wan-Ting CHIU², Masaki TAHARA¹, Itsuo KUMAZAWA¹, Hideki HOSODA¹, Volodymyr CHERNENKO^1,3 (1. IIR Tokyo Tech, 2. Sch. Mater. Chem. Technol. Tokyo Tech, 3. BC Materials)

12:00 PM - 1:30 PM

[P4] Multi-phase-field lattice Boltzmann simulations of semi-solid simple shear deformation for predicting segregation bands

*Namito Yamanaka¹, Shinmei Hayase¹, Shinji Sakane², Tomohiro Takaki² (1. Kyoto Institute of Technology, 2. Kyoto Institute of Technology)

12:00 PM - 1:30 PM

[P5] 機械学習された応力-ひずみ曲線 (Machine Learned Stress-Strain Curves)

*Dmitry Bulgarevich¹, Makoto Watanabe¹ (1. National Institute for Materials Science (NIMS), Japan)

12:00 PM - 1:30 PM

[P6] Temperature and carbon concentration dependence of the solid-liquid interfacial energy in δ-Fe using metadynamics

*Takumu Yamamura¹, Ryuhei Sato², Yasushi Shibuta² (1. UTokyo, 2. UTokyo)

ポスターセッション

[P] P107~P114

Wed. Sep 18, 2024 2:00 PM - 3:30 PM Poster Session Room1 (Assembly Hall at Osaka Univ. Hall)

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2:00 PM - 3:30 PM

[P107] Development of a bidirectional PSP linkage model using deep generative models

*Nakagami Rika¹, Inoue Junya², Noguchi Satoshi³ (1. Eng UTokyo, 2. IIS UTokyo, 3. JAMSTEC)

2:00 PM - 3:30 PM

[P108] Prediction of Physical Properties of Garnet-Type Structured Compounds by Machine Learning

*Haruki HIRAISHI¹, Tomoyuki Yamamoto³, Hai　Chau Nguyen² (1. Waseda University, 2. VNU-UET, 3. Waseda University)

2:00 PM - 3:30 PM

[P109] Oxygen incorporation in MAX phases: Insights into the structures and elastic properties of the Ti-Al-C-O and Ti-Al-N-O system

*Hyokyeong Kim¹, Junyoung Choi¹, Inseong Bae², Jiwoo Choi¹, Jiwoong Kim^1,2 (1. Department of Materials Science and Engineering, Soongsil University, Seoul 06978, Republic of Korea, 2. Department of Green Chemistry and Materials Engineering, Soongsil University, Seoul 06978, Republic of Korea)

2:00 PM - 3:30 PM

[P110] Predicting Thermal Expansion Properties of Complex Composite Materials Using Multi-Scale Simulation

*Jinyong Lee¹, Hyokyeong Kim¹, Sooah Kyung¹, Jongwook Kwak¹, Jiwoong Kim^1,2 (1. Department of Materials Science and Engineering, Soongsil University, Seoul 06978, Republic of Korea, 2. Department of Green Chemistry and Materials Engineering, Soongsil University, Seoul 06978, Republic of Korea)

2:00 PM - 3:30 PM

[P111] Prediction Model for Physical Properties of High-Entropy Alloys Using Convolutional Neural Networks

*So TOKUSHIGE¹, Shota Takano¹, Tomoyuki Terai², Kazunori Sato^2,3,4 (1. Osaka Univ., 2. Osaka Univ., 3. CSRN-Osaka, 4. OTRI-Spintronics Research Network Division)

2:00 PM - 3:30 PM

[P112] Effects of Thermal Cycling on Microscopic Structures of Fe–B–Si Amorphous Alloys:
A Molecular Dynamics Study

*Ryohei Ikebuchi¹, Masato Shimono², Motoki Ohta¹, Kazuto Arakawa¹, Naomi Hirayama¹ (1. Shimane Univ, 2. NIMS)

2:00 PM - 3:30 PM

[P113] Molecular dynamics analysis of the effect of carbon atoms on the solid phase transformation of steel

*Raita ISOZAKI¹, Ryuhei Sato², Yasushi Shibuta² (1. Univ. Tokyo (Master), 2. Univ. Tokyo)

2:00 PM - 3:30 PM

[P114] Evaluation of correlation between microstructure and Vickers hardness of an MoSiBTiC alloy using machine learning

*Kentaro TSURUKI¹, Kazuto AKAGI², Shuntaro IDA¹, Kyousuke YOSHIMI¹ (1. Tohoku Univ.(Engineering), 2. Tohoku Univ.(AIMR))

ポスターセッション

[P] P214~P221

Wed. Sep 18, 2024 4:00 PM - 5:30 PM Poster Session Room1 (Assembly Hall at Osaka Univ. Hall)

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4:00 PM - 5:30 PM

[P214] Development and Performance Evaluation of a Diffusion Model for Inverse Design of Crystalline Materials

*Izumi Takahara¹, Kiyou Shibata¹, Teruyasu Mizoguchi¹ (1. IIS, UTokyo)

4:00 PM - 5:30 PM

[P215] High-throughput screening of inert anode for magnesium molten salt electrolysis with Ab inito simulation

*Junyoung Choi¹, Hayoung Son¹, Inseong Bae¹, Jiwoong Kim^1,2 (1. Department of Materials Science and Engineering, Soongsil University, Seoul 06978, Republic of Korea, 2. Department of Green Chemistry and Materials Engineering, Soongsil University, Seoul 06978, Republic of Korea)

4:00 PM - 5:30 PM

[P216] MAX phases with M, A, and X vacancies: High-temperature mechanical properties via MD simulation

*Hayoung Son¹, Hyokyeong Kim², Jiwoo Choi², Junyoung Choi², Jaewon Choi², Jiwoong Kim^1,2 (1. Department of Green Chemistry and Materials Engineering, Soongsil University, 2. Department of Materials Science and Engineering, Soongsil University)

4:00 PM - 5:30 PM

[P217] First-Principles Study of High-Density Carrier Doping in Wide-Gap Oxides

*Hiroki Ishii¹, Teruya Nagafuji¹, Akira Takahashi², Fumiyasu Oba² (1. Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology (M), 2. Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology)

4:00 PM - 5:30 PM

[P218] Influences of Local Structural Variations on Thermal Stability of Nanoclusters formed in Al-Mg-Si Alloys

*MIZUKI SHOJI¹, KENSUKE KURIHARA¹, Ivan Lobzenko², Tomohito Tsuru², Ai Serizawa³ (1. Graduate School of Shibaura Institute of Technology, 2. Japan Atomic Energy Agency (JAEA), 3. Shibaura Institute of Technology)

4:00 PM - 5:30 PM

[P219] Finite element analysis for the effect of microstructure on microcracks initiation of MoSiBTiC alloy at room temperature

*Junfeng Du¹, Chihana Kudo¹, Shuntaro Ida⁴, Eri Nakagawa³, Takahito Ohmura³, Kyosuke Yoshimi² (1. Tohoku Univ. (Graduate student), 2. Tohoku Univ., 3. NIMS, 4. Tohoku Univ. (Present: JFCC))

4:00 PM - 5:30 PM

[P220] Molecular Dynamics Analysis on Stress-Induced Long-Period Polytype Formation

*Shinya OGANE¹, Koji Moriguchi¹ (1. Tohoku Univ.)

4:00 PM - 5:30 PM

[P221] Reconsideration on Lattice Parameters of Mo-based Binary Alloys in King’s Table using the First-principle Calculations

*Mohan LIU¹, Kyosuke Yoshimi² (1. Tohoku Univ. (Graduate student)、2. Tohoku Univ.)

一般講演

[G] Computational Materials Science / Data Science I

Thu. Sep 19, 2024 9:00 AM - 12:00 PM 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）

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9:00 AM - 9:15 AM

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

*Akihiro Nagoya¹, Taku Watanabe¹ (1. PFCC)

9:15 AM - 9:30 AM

[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

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

*Yasutomi Tatetsu¹, Kenshi Matsumoto², Ryota Sato², Toshiharu Teranishi^2,3 (1. Meio Univ., 2. Institute for Chemical Research, Kyoto Univ., 3. Grad. School of Sci., Kyoto Univ.)

9:45 AM - 10:00 AM

[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

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

*Sangjun Lee^1,2, Kiyou Shibata², Teruyasu Mizoguchi² (1. MSE, Yonsei Univ., Korea、2. IIS, UTokyo)

10:15 AM - 10:30 AM

[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)

break （10:30 AM - 10:45 AM）

10:45 AM - 11:00 AM

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

*Tetsuo MOHRI¹ (1. Hokkaido Univ.)

11:00 AM - 11:15 AM

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

*Tetsuo MOHRI¹ (1. Hokkaido Univ.)

11:15 AM - 11:30 AM

[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

[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

[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)

一般講演

[G] Computational Materials Science / Data Science II

Thu. Sep 19, 2024 1:00 PM - 2:15 PM Room A (A001 basement 1st floor Building A Center for Education in Liberal Arts and Sciences)

座長:飯久保智(九大)

※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 - 1:30 PM

[12] Microstructure Control and Mechanical Properties of Ti and Mg alloys

*Yuya ISHIGURO¹, Tomonori KUNIEDA¹, Yuhki TSUKADA², Mingzhe BIAN³, Xinsheng HUANG³, Yasumasa CHINO³, Toshiyuki KOYAMA², Kazuhiro TAKAHASHI¹ (1. Nippon Steel, 2. Nagoya Univ., 3. AIST)

1:30 PM - 1:45 PM

[13] Evaluation of mechanical property of composite microstructures based on the inverse problem
incorporated with automatic differentiation

*Reo KAWAMOTO¹, Yuhki TSUKADA², Toshiyuki KOYAMA² (1. Nagoya Univ. Graduate School of Engineering (Master), 2. Nagoya Univ. Graduate School of Engineering)

1:45 PM - 2:00 PM

[14] Integration of phase-field method and image generation AI models

*Yuki ISOGAI¹, Yuhki TSUKADA², *Toshiyuki KOYAMA² (1. Nagoya Univ. Graduate School of Engineering(Master), 2. Nagoya Univ. Graduate School of Engineering)

2:00 PM - 2:15 PM

[15] Material parameter estimation using microstructural features via phase field inverse analysis

*Yusuke MATSUOKA¹, Machiko ODE¹, Taichi ABE¹, Yuhki TSUKADA², Toshiyuki KOYAMA² (1. NIMS, 2. Nagoya Univ.)

Sessions

11.Computational Science » Computational Science

[P] P1~P6

[P] P107~P114

[P] P214~P221

[G] Computational Materials Science / Data Science I

[G] Computational Materials Science / Data Science II

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