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CDMSI International Workshop on "Scale bridging for the atomistic design of high performance materials”

作者: 下敷領恵美 最終変更 2017年02月10日 13時48分
This workshop brings together experts in structural materials, magnets, and chemicals to define/discuss problems associated with applying models to multiple-scales . With the aim to bridge gaps in scales, developments in each study field will be presented, and the importance of mutual understanding and cross utilization of multidisciplinary technologies will be addressed.
日時 2017年02月20日 13時00分 から
2017年02月21日 17時30分
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【 Dates and Venue 】

Date:February 20 (Mon.) at 12:00 to February 21(Tue.), 2017

1-7-12, Maruno-uchi, Chiyoda-ku, Tokyo 100-0005, Japan

Capacity :180people

Registration Fee: free

Banquet: Planned in the evening of on Monday, February 20 at the same venue for JPY 4,500.

【 Registration 】

Please click the link below to register. The registration is due on Feb 15.
If you are CDMSI Project member and plan to request for reimbursement of traveling expenses, please register by Feb 10.

<< registration >>

【 Program (tentative) 】

Note: Each presentation time includes Q & A of 5 minutes.

Note of abbreviations:
AIST: National Institute of Advanced Industrial Science and Technology
KEK: High Energy Accelerator Research Organization
NIMS: National Institute for Materials Science
JAEA: Japan Atomic Energy Agency

Day 1 - Feb 20, Mon

12:00-13:00 Registration
13:00-13:15 Opening Remarks Shinji TSUNEYUKI, The University of Tokyo
13:15-13:30 Introduction to the Workshop Tetsuo MOHRI, Tohoku University
Session 1 High Performance Permanent Magnets and Magnetic Materials
13:30-13:50 Introduction to the Session: Strong permanent magnet Takashi MIYAKE, AIST
13:50-14:30 Keynote-1: Microstructure and magnetic property of NdFeB magnet Tadakatsu OHKUBO, NIMS
14:30-15:00 M-1: Constrained Monte Carlo analysis for magnetic anisotropy of rare-earth permanent magnets Yuta TOGA, NIMS
15:00-15:30 M-2: Microscopic approach to the magnetization reversal by stochastic LLG and MC simulations Seiji MIYASHITA, The University of Tokyo
15:30-15:45 Break
15:45-16:15 M-3: Ginzburg-Landau type simulation of permanent magnets Kaoru IWANO, KEK
16:15-16:55 M-4: First principles design for spintronics materials by order-N screened KKR Green’s function method Tetsuya FUKUSHIMA, Osaka University
16:55-17:35 M-5: Chiral magnetic textures: from all-electron DFT to multiscale applications enabled by supercomputing Bernd ZIMMERMANN, Jülich Research Centre, Germany

18:00-20:00 Banquet

Day 2 - Feb 21, Tue

9:00-9:30 Registration
Session 2 Next generation Functional Chemical Substance
9:30-9:45 Introduction to the Session: Overview of Functional-Chemical Substance Nobuyuki MATUBAYASI, Osaka University
9:45-10:30 Keynote-2: High-throughput Molecular Simulation Database of Equilibrium and Transport Properties – A Response to Material Genome Initiative Huai SUN, Shanghai Jiao Tong University
10:30-11:00 C-1: Bridging microscopic and mesoscopic properties in multiscale modeling of polymer melts and composite systems Toshihiro KAWAKATSU, Tohoku University
11:00-11:30 C-2: Control of gas permeability in porous polymer crystals by external stimulus Yoshinori TAMAI, Fukui University
11:30-12:30 Lunch Break
12:30-13:00 C-3: MD/DFT self-consistent scheme toward systematic development of force fields for functional fluid systems Ryosuke ISHIZUKA, Osaka University
13:00-13:40 C-4: Toward CDMSI by Computational Molecular Technology of Complex Chemical Reaction Systems: Applications of Red Moon Methodology Masataka NAGAOKA, Nagoya University
Session 3 Advanced Structural Material
13:40-13:55 Introduction to the Session: Advanced Structural Material Masanori KOHYAMA, AIST
13:55-14:40 Keynote-3: Atomistically informed full-field simulation of applied materials: Aspects of thermo-chemo-mechanical coupling Ingo STEINBACH, ICAMS Ruhr-Universität Bochum, Germany
14:40-15:20 S-1: Molecular dynamics simulations of heterogeneous nucleation of ferrite in austenite Jeffrey J. HOYT, McMaster University, Canada
15:20-15:35 Break
15:35-16:05 S-2: Large-scale phase-field simulations in solidification and grain growth Tomohiro TAKAKI, Kyoto Institute of Technology, Japan
16:05-16:35 S-3: Molecular dynamics approach to nucleation in solidification process Yasushi SHIBUTA, The University of Tokyo, Japan
16:35-17:15 S-4: Universal, tuned-critical quake statistics: from compressed nanopillars to earthquakes Karin DAHMEN, University of Illinois at Urbana Champaign, U.S.A.
17:15-17:45 S-5: First-principles study on effects of alloying elements on deformation and fracture Tomohito TSURU, JAEA, Japan
17:45-18:00 Discussion and Wrap-up Hisazumi AKAI, The University of Tokyo
18:00 Closing Remarks


【 Sponsors 】

Post-K Priority Issue 7 - Creation of new functional devices and high-performance materials to support next-generation industries ("CDMSI")
The Elements Strategy Initiative Center for Magnetic Materials("ESICMM")
Professional development Consortium for Computational Materials Scientists ("PCoMS")
Center of Computational Materials Science, Institute for Solid State Physics, The University of Tokyo
Institute for Materials Research, Tohoku University
Post-K Priority Issue 5 - Development of new fundamental technologies for highly-efficient energy creation, conversion, storage and use
Post-K Exploratory Challenge 1 - Frontiers of Basic Science: Challenging the Limits ("CBSM2")
Research Organization for Information Science and Technology ("RIST")
Materials research by Information Integration" Initiative ("MI2I")
Industrial Committee for Supercomputing Promotion ("ICSCP")

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Center of Computational Material Science
Institute for Solid State Physics
The University of Tokyo
5-1-5 Kashiwa-no-ha, Kashiwa, Chiba 277-8581, Japan
TEL 04-7136-3279 / FAX 04-7136-3441

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