The 27th Annual Meeting of MRS-J Program List: Oral
L:Creation and characterization of advanced materials through computer simulation |
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| Entry No | Keynote/ Invited |
Presentation | Date | Time to start |
Time to finish |
Award | Presenter Name | Affiliation | Paper Title |
Dec. 5  10:00 - 12:00 横浜情報文化センター大会議室 |
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Chair : 塚田 祐貴 (名古屋大学) Yuhki TSUKADA (Nagoya University) |
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| 2083 | Invited | L-I5-001 | Dec. 5 | 10:00 | 10:40 | Shinichi HIGAI | Murata Manufacturing Co., Ltd./Research Association of High-Throughput Design and Development for Advanced Functional Materials/AIMaP/CAMM Forum | Activities and Expectations on Computational Simulations and Materials Informatics Techniques for Creation of Advanced Functional Materials | |
| 2354 | L-O5-002 | Dec. 5 | 10:40 | 11:00 | Abhijit Chatterjee | DASSAULT SYSTEMES BIOVIA | Material informatics: the current state and the future vision form a software perspective | ||
Chair : 檜貝 信一 (村田製作所) Shinichi HIGAI (Murata Manufacturing Co., Ltd.) |
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| 2381 | Invited | L-I5-003 | Dec. 5 | 11:00 | 11:40 | Masayuki KARASUYAMA | Department of Computer Science, Nagoya Institute of Technology/Center for Materials Research by Information Integration, National Institute for Materials Science/JST PRESTO | Statistical Machine Learning for Grain-boundary: Toward Data-driven Materials Discovery | |
| 2110 | L-O5-004 | Dec. 5 | 11:40 | 12:00 | Tomoyuki TAMURA | Nagoya Institute of Technology/National Institute for Materials Science | Fast and scalable prediction of local energy at grain boundaries: Machine-learning based modeling of first-principles calculations | ||
Dec. 5 15:40 - 18:30 横浜情報文化センター大会議室 |
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Chair : 弓削 是貴 (京都大学) Koretaka YUGE (Kyoto University) |
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| 2569 | L-O5-005 | Dec. 5 | 15:40 | 16:00 | Ryo KOBAYASHI | Nagoya Institute of Technology/National Institute for Materials Science | A neural-network potential for Al-Mg-Si ternary alloys | ||
| 2245 | L-O5-006 | Dec. 5 | 16:00 | 16:20 | Hideki MORI | College of Industrial Technology | Investigation of compact dislocation core structure in Aluminum by deep neural network atomic potential. | ||
Chair : 都留 智仁 (日本原子力研究開発機構) Tomohito TSURU (Japan Atomic Energy Agency) |
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| 2392 | Invited | L-I5-007 | Dec. 5 | 16:20 | 17:00 | *G | Yuhki TSUKADA | Graduate School of Engineering, Nagoya University/JST, PRESTO | Simulation of martensitic transformation in steels by the phase-field method |
| 2535 | L-O5-008 | Dec. 5 | 17:00 | 17:20 | *M | Hiroki FUJIWARA | Department of Adaptive Machine Systems, Osaka University | Computational Experiments of δ-γphase nucleation upon δ-γ Massive like Transformation in Carbon Steel by Phase Field Modeling: A Possible Explanation for Experimental Evidences | |
| Break | Dec. 5 | 17:20 | 17:30 | ||||||
Chair : フィッシャー クレイグ (ファインセラミックスセンター) Craig FISHER (Japan Fine Ceramics Center) |
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| 2280 | L-O5-009 | Dec. 5 | 17:30 | 17:50 | *M | Yusuke SUMI | Department of Adaptive Machine Systems, Osaka University | Evaluation of Thermal Materials Properties and Their Influences upon Thermal Cycle of Environmental Barrier Coatings by First-Principles Calculations | |
| 2575 | L-O5-010 | Dec. 5 | 17:50 | 18:10 | Yoshiki BANDO | Tokai University, Faculty of Engineering, Material Science Department | New Thermoelectric Materials Fe3Ga and Ga3Fe: DFT Calculations and Experiments | ||
| 2281 | L-O5-011 | Dec. 5 | 18:10 | 18:30 | *M | Kazushi FUJIMOTO | Department of Adaptive Machine Systems, Osaka University | Thermodynamic Stability and Thermoelectric Properties of Impurities Doped TiS2 by ab initio Calculations | |
Dec. 6 9:30 - 17:30 横浜情報文化センター大会議室 |
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Chair : 小林 亮 (名古屋工業大学) Ryo KOBAYASHI (Nagoya Institute of Technology) |
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| 2577 | Invited | L-I6-001 | Dec. 6 | 09:30 | 10:10 | *G | Takenobu NAKAMURA | National Institute of Advanced Industrial Science and Technology | Topological Data Analysis for the Molecular Dynamics Simulation |
| 2444 | L-O6-002 | Dec. 6 | 10:10 | 10:30 | Craig FISHER | Nanostructures Reseah Laboratory, Japan Fine Ceramics Center | Systematic analysis of cation distributions in aluminosilicate frameworks using graph theory and molecular dynamics | ||
| 2538 | L-O6-003 | Dec. 6 | 10:30 | 10:50 | *M | Kohei FUNAI | Department of Adaptive Machine Systems, Osaka University | Suppression of Lattice Thermal Conductivity by Si Symmetric Tilt Grain Boundaries by Perturbed Molecular Dynamics | |
Chair : 小谷 岳生 (鳥取大学) Takao KOTANI (Tottori University) |
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| 2094 | L-O6-004 | Dec. 6 | 10:50 | 11:10 | *G | Koretaka YUGE | Kyoto University | Microscopic Geometry Rules Structure/Potential-Energy Correspondence in a Thermodynamic System | |
| 2506 | L-O6-005 | Dec. 6 | 11:10 | 11:30 | Atsushi TOGO | Elements Strategy Initiative for Structural Materials, Kyoto University | High-throughput first-principles phonon calculations | ||
| 2113 | L-O6-006 | Dec. 6 | 11:30 | 11:50 | *G | Yoyo HINUMA | Center for Frontier Science, Chiba University/National Institute for Materials Science/Kyoto University | Energetics and structure of binary oxides with various exchange-correlation functionals | |
Chair : 森 英喜 (産業技術短期大学) Hideki MORI (College of Industrial Technology) |
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| 2343 | Invited | L-I6-007 | Dec. 6 | 13:00 | 13:40 | *G | Masato WAKEDA | National Institute for Materials Science | Prediction of mechanical properties of structural materials based on the first principles calculation of lattice defects |
| 2219 | L-O6-008 | Dec. 6 | 13:40 | 14:00 | *G | T TSURU | Japan Atomic Energy Agency | First-principles and experimental study on interfacial fracture in Mg alloys | |
| 2559 | L-O6-009 | Dec. 6 | 14:00 | 14:20 | Tokuteru UESUGI | Graduate School of Engineering, Osaka Prefecture University | Substitutional Behavior of Ternary Elements in Ni3Al and Ni3V from First-Principles Calculations | ||
Chair : 東後 篤史 (京都大学) Atsushi TOGO (Kyoto University) |
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| 2330 | Invited | L-I6-010 | Dec. 6 | 14:40 | 15:20 | *G | Hirofumi Akamatsu | Graduate School of Engineering, Kyushu University | Theoretical and Experimental Study of Inversion Symmetry Breaking by Oxygen Octahedral Rotations in Layered Perovskites |
| 2579 | L-O6-011 | Dec. 6 | 15:20 | 15:40 | *G | Ashim SAHA | Department of Adaptive Machine Systems, Osaka University | First Principles Calculations of Rotation Dependent Modifications of the Electronic and Optical Properties of MoS2-MoSe2 Layered Heterostructure | |
| 2407 | L-O6-012 | Dec. 6 | 15:40 | 16:00 | *M | Yasuhide MOCHIZUKI | Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology | Metal-Insulator Transition Induced by Biaxial Compressive Strain in La3Ni2O7: A First-Principles Study | |
| Break | Dec. 6 | 16:00 | 16:10 | ||||||
Chair : 上杉 徳照 (大阪府立大学) Tokuteru UESUGI (Osaka Prefecture University) |
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| 2088 | L-O6-013 | Dec. 6 | 16:10 | 16:30 | *M | Kou HARADA | Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology | First-Principles Study of Carrier-Induced Band-Gap Variation and Point Defects in Zn3N2 | |
| 2127 | L-O6-014 | Dec. 6 | 16:30 | 16:50 | *M | Yuuki MOTOYAMA | Nagoya Institute of Technology | Li migration near solid-electrolyte LLTO grain boundaries | |
| 2299 | L-O6-015 | Dec. 6 | 16:50 | 17:10 | *M | Nobuhiko NISHIYA | Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology | Defect Formation and Doping Limits in Semiconductors: A First-Principles Study | |
| 2570 | L-O6-016 | Dec. 6 | 17:10 | 17:30 | *G | Kazuki SHITARA | Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science/Nanostructures Research Laboratory, Japan Fine Ceramics Center/Department of Materials Science and Engineering, Kyoto University | Material Design of Oxide-Ion Conductor Er-Stabilized Bi2O3 by Selective Doping for Improved Long-Term Stability at Moderate Temperatures | |