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Virtual Laboratory for Materials Design

Virtual Laboratory for Materials Design. Shuichi IWATA The University of Tokyo (UT). Collaborators. Principal investigators : Krishna RAJAN(Iowa State University) Ying CHEN(UT), Yasunori KANETA(UT) Yoshihiro SHIKATA(Meijo University) Shuhei OHNISHI(NEC) Toshihiro ASHINO(Toyo University)

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Virtual Laboratory for Materials Design

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  1. Virtual Laboratory for Materials Design Shuichi IWATA The University of Tokyo (UT)

  2. Collaborators • Principal investigators : • Krishna RAJAN(Iowa State University) • Ying CHEN(UT), Yasunori KANETA(UT) • Yoshihiro SHIKATA(Meijo University) • Shuhei OHNISHI(NEC) • Toshihiro ASHINO(Toyo University) • Nobutaka NISHIKAWA(MRI) • Jun NI(Tsinghua University) • Graduate Students: • Nobuto OKA(UT), Wataru HOSHIDA(UT) • Funding:MEXT http://www.mse.iastate.edu/cosmic-imi/

  3. Design Solutions and Selection Databases Knowledge Bases ∪DesignSolutions　⇒Properties, Functions Simulations Experiments People selection, deduction, induction evaluation, selection, abduction http://www.mse.iastate.edu/cosmic-imi/

  4. Periodic Table of the Elements Materials Unary Binary Ternary Quaternary … Multinary Design Prediction (Production Line) Needs Functions Properties Structures Too many Possibilities…? Atomic Constituents Specification design Function design Structure design Process design Materials Design (Resolution Line)

  5. http://www.mse.iastate.edu/cosmic-imi/

  6. Data interface http://www.mse.iastate.edu/cosmic-imi/

  7. http://www.mse.iastate.edu/cosmic-imi/

  8. Discovering data systematics http://www.mse.iastate.edu/cosmic-imi/

  9. http://www.mse.iastate.edu/cosmic-imi/

  10. http://www.mse.iastate.edu/cosmic-imi/

  11. CN 1-3 CN 4 CN 6 (-11) CN 12 (-13) CN 14(-18) Non-former Former (no 1:1) Regularity in Binaries AETs of Compounds MN(B) 1 100 MN(A) vs.MN(B) Map for 1:1 Compounds (RT) MN(A) 100 http://www.mse.iastate.edu/cosmic-imi/

  12. Research Nugget 15,419 different compounds explored , experimentally determined bi-, ter- quaternary systems. Red dot: ternary nonformers http://www.mse.iastate.edu/cosmic-imi/

  13. Maps for Exploration {Time,Temperature, Composition, Pressure, Magnetic Field, Beam Irradiation, etc.} defined Space -nuclear chart -periodic table -structure maps -phase diagram -TTT diagram -mechanism maps -causality charts SELECTION(DERIVATION) and ABSTRACTION OF PARAMETERS & PRJECTION http://www.mse.iastate.edu/cosmic-imi/

  14. Plans: UT@ Tokyo / CoSMIC-IMI • Inventories of Selected Materials Data Activities • Outreach of Materials Data Systems into Other Disciplines • Materials Developments in the industry • Artifacts Design(CAD) for New Value Addition -sustainability -safety • Environmental Design based on Lean Technologies following Global Diversities of Human Capacities, Incentives and Resources -”our” landscapes • Ad hoc Organization of Experts Network for Materials Design • Innovations in Materials Design “Data-driven MD” : International curriculum design: Univ of Tokyo and Iowa State Univ. • Student exchange program for graduate students • Virtual Lab link between CoSMIC and Tokyo http://www.mse.iastate.edu/cosmic-imi/

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