CDMSI International Workshop on "Scale bridging for the atomistic design of high performance materials”
【 Dates and Venue 】
Date：February 20 (Mon.) at 12:00 to February 21(Tue.), 2017
Venue： STATION CONFERENCE TOKYO 5F 503ABCD
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 | |
| Opening | ||
| 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 |
| Closing | ||
| 17:45-18:00 | Discussion and Wrap-up | Hisazumi AKAI, The University of Tokyo |
| 18:00 | Closing Remarks |
【 Sponsors 】
Co-Organizers:
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")
Supporters:
Center of Computational Materials Science, Institute for Solid State Physics, The University of Tokyo
Institute for Materials Research, Tohoku University
Collaborators:
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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C O N T A C T
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
adm-office＠cms-initiative.jp
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