The 26th Annual Meeting of MRS-J Program List: Oral
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. 19  9:30 - 12:00 波止場会館 大会議室 / Hatoba Kaikan, Meeting Room L |
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Chair : 上杉 徳照（大阪府立大学） Tokuteru UESUGI ( Osaka Prefecture University ) |
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| 2057 | Invited | D4-I19-001 | Dec. 19 | 09:30 | 10:10 | *G | Yu KUMAGAI | Materials Research Center for Element Strategy, Tokyo Institute of Technology | First-principles investigation of point defects in non-metallic materials |
| 2109 | D4-O19-002 | Dec. 19 | 10:10 | 10:30 | *G | Yoyo HINUMA | Department of Materials Science and Engineering, Kyoto University/Center for Materials Research by Information Integration, National Institute for Materials Science | Calculating binary oxide surface properties with a high-throughput procedure | |
| Coffee Break | Dec. 19 | 10:30 | 10:40 | ||||||
Chair : 小谷 岳生（鳥取大学） Takeo KOTANI (Tottori University) |
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| 2609 | Invited | D4-I19-003 | Dec. 19 | 10:40 | 11:20 | Katsumi EIKYU | Renesas Electronics Corp. | Development of Semiconductor Power Devices and TCAD Utilization in Industries, the Outlook toward Novel Materials | |
| 2785 | D4-O19-004 | Dec. 19 | 11:20 | 11:40 | Chikako YOSHIDA | Fujitsu Ltd. | Micromagnetic Simulation of Voltage-Assisted Unipolar Switching in Perpendicular Magnetic Tunnel Junction | ||
| 2153 | D4-O19-005 | Dec. 19 | 11:40 | 12:00 | *G | Jun OTSUKA | Sumitomo Electric Industries, Ltd. | Band structures for InAs/GaSb superlattices based on the quasiparticle self-consistent GW method | |
Dec. 19 15:30 - 18:30 波止場会館 大会議室 / Hatoba Kaikan, Meeting Room L |
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| Coffee Break | Dec. 19 | 15:30 | 16:00 | ||||||
Chair : 熊谷 悠（東京工業大学） Yu KUMAGAI (Tokyo Institute of Technology) |
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| 2368 | D4-O19-006 | Dec. 19 | 16:00 | 16:20 | Atsushi TOGO | Elements Strategy Initiative for Structure Materials (ESISM), Kyoto University/National Institute for Materials Science | Applications of first-principles harmonic and anharmonic phonon calculations | ||
| 2760 | D4-O19-007 | Dec. 19 | 16:20 | 16:40 | *G | Yoshiki UEOKA | Graduate School of Engineering, University of Osaka | New Method of Phonon Calculation: Direct Calculation using Effective Interaction between Electrons | |
| 2315 | D4-O19-008 | Dec. 19 | 16:40 | 17:00 | *M | Ryosuke ISHIMURA | Department of Adaptive Machine Systems, Osaka University | Systematic Studies of the Dominant Factors of Coefficient of Thermal Expansion in Silicides by ab initio Lattice Dynamics | |
| 2633 | D4-O19-009 | Dec. 19 | 17:00 | 17:20 | Abhijit CHATTERJEE | DASSAULT SYSTEMES BIOVIA | Multi-scale simulation to rationale thermal conductivity for soft materials in context to material informatics | ||
| Coffee Break | Dec. 19 | 17:20 | 17:30 | ||||||
Chair : 東後 篤史（京都大学） Atsushi TOGO (Kyoto University) |
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| 2310 | D4-O19-010 | Dec. 19 | 17:30 | 17:50 | Wilfried WUNDELRICH | Material Science Department, Tokai University | Correlation of Segregation Energy for Ni and Fe with other Element Data | ||
| 2325 | D4-O19-011 | Dec. 19 | 17:50 | 18:10 | *G | Yusuke NODA | Materials research by Information Integration Initiative, National Institute for Materials Science | Computational study of electrochemical stability and lithium-ion conduction in NASICON-type solid electrolyte | |
| 2552 | D4-O19-012 | Dec. 19 | 18:10 | 18:30 | *G | Hideki MORI | Department of Mechanical Engineering, College of Industrial Technology | Analysis of dislocation core structure in Aluminum by neural network atomic potential | |
Dec. 20 9:30 - 12:00 万国橋会議センター 402号室 / Bankokubashi Kaigi Center, Room 402 |
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Chair : 大場 史康（東京工業大学） Fumiyasu OBA (Tokyo Institute of Technology) |
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| 2621 | Invited | D4-I20-001 | Dec. 20 | 09:30 | 10:10 | Yoshinori SHIIHARA | Graduate School of Engineering, Toyota Technological Institute | Ab initio description of stress distribution in the vicinity of lattice defects | |
| 2171 | D4-O20-002 | Dec. 20 | 10:10 | 10:30 | *M | Makoto MURATA | Department of Materials Science and Engineering, Kyoto University | Theoretical study on liquid phase structure in thermodynamically equilibrium state | |
| Coffee Break | Dec. 20 | 10:30 | 10:40 | ||||||
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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| 2118 | D4-O20-003 | Dec. 20 | 10:40 | 11:00 | Masanori KOHYAMA | National Institute of Advanced Industrial Science and Technology | Segregation of sp-Elements at Fe Grain Boundaries: Ab Initio Local-Energy Analysis | ||
| 2509 | D4-O20-004 | Dec. 20 | 11:00 | 11:20 | *M | Hiroki FUJIWARA | Department of Adaptive Machine Systems, Osaka University | Micro-structure Analysis of Massive-like transformation from δ phase to γ phase in Carbon Steel by Using Phase Field Simulation | |
| 2300 | D4-O20-005 | Dec. 20 | 11:20 | 11:40 | *M | Yusuke AKADA | Department of Adaptive Machine Systems, Osaka University | Analyses of the Critical Factors in Coefficient of Thermal Expansion of complex oxides for Thermal Barrier Coating by First-Principles Calculations | |
| 2275 | D4-O20-006 | Dec. 20 | 11:40 | 12:00 | Tomoyuki TAMURA | Nagoya Institute of Technology | First-principles XANES simulation for Ti doped to glass materials | ||
Dec. 20 13:00 - 18:00 万国橋会議センター 402号室 / Bankokubashi Kaigi Center, Room 402 |
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Chair : 弓削 是貴（京都大学） Koretaka YUGE (Kyoto University) |
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| 2077 | Invited | D4-I20-007 | Dec. 20 | 13:00 | 13:40 | *G | Tomohito TSURU | Nuclear Science and Engineering Center, Japan Atomic Energy Agency/ Elements Strategy Initiative for Structural Materials, Kyoto University | Effects of alloying elements on deformation and fracture: First-principles approach to element strategy |
| 2123 | D4-O20-008 | Dec. 20 | 13:40 | 14:00 | *D | Kazuhito TAKEUCHI | Department of Materials Science and Engineering, Kyoto University | A new automatical method to construct phase diagrams for multicomponent alloys | |
| 2299 | D4-O20-009 | Dec. 20 | 14:00 | 14:20 | *D | Yuya YAMAMOTO | Graduate School of Engineering, Muroran Institute of Technology | Determination Method of Interatomic Potential for Alkali Silicate Glass Simulations | |
| Coffee Break | Dec. 20 | 14:20 | 14:30 | ||||||
Chair : レービガー ハンネス (横浜国立大学） Hannes RAEBINGER (Yokohama National University) |
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| 2835 | Invited | D4-I20-010 | Dec. 20 | 14:30 | 15:10 | Minoru OTANI | National Institute of Advanced Industrial Science and Technology | Recent progress in the first-principles simulation of electrochemical interfaces | |
| 2779 | D4-O20-011 | Dec. 20 | 15:10 | 15:30 | *G | Takafumi OGAWA | Nanostructures Research Laboratory, Japan Fine Ceramics Center | Defect Chemistry in Pyrochlore-type Yttrium Titanate at High Temperature | |
| 2743 | D4-O20-012 | Dec. 20 | 15:30 | 15:50 | *M | Takuya NAKAO | Laboratory for Materials and Structures, Tokyo Institute of Technology | Theoretical and experimental study on the indicator for the control of Ru particle sizes on supports | |
| Coffee Break | Dec. 20 | 15:50 | 16:00 | ||||||
Chair : 田村 友幸（名古屋工業大学） Tomoyuki TAMURA (Nagoya Institute of Technology) |
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| 2791 | D4-O20-013 | Dec. 20 | 16:00 | 16:20 | *G | Hidekazu TOMONO | IHI Corporation | Si-clathrate for Catalyst Support by First Principles Calculation and Experimental Study | |
| 2507 | D4-O20-014 | Dec. 20 | 16:20 | 16:40 | *D | Daisuke YOSHIDA | Graduate School of Engineering, Yokohama National University | The mechanism of stabilization for covalent bonding in diatomic molecules | |
| 2295 | D4-O20-015 | Dec. 20 | 16:40 | 17:00 | *G | Hirofumi AKAMATSU | Institute of Innovative Research, Tokyo Institute of Technology | Exploration of 180° Ferroelectric Domain Wall Motion Pathways in PbTiO3 Based on Representation Theory and First-Principles Calculations | |
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 A. J. FISHER (JFCC) |
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| 2106 | D4-O20-016 | Dec. 20 | 17:00 | 17:20 | *M | Hisashi MIYAZONO | Department of Materials Science and Engineering, Kyoto University | Thermodynamic stability of a long-period stacking ordered structure based on first-principles | |
| 2465 | D4-O20-017 | Dec. 20 | 17:20 | 17:40 | *M | Ryuichi ARAKAWA | Nagoya Institute of Technology | Machine learning based prediction of grain-boundary properties | |
| 2837 | D4-O20-018 | Dec. 20 | 17:40 | 18:00 | *M | Kou HARADA | Laboratory for Materials and Structures, Institute of Innovative Research, Tokyo Institute of Technology | Native Point Defects and Impurities in Copper Nitride: A First-Principles Study | |