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Integration of Internationally Distributed KB/DB on Material

Research Project

Project/Area Number 04044049
Research Category

Grant-in-Aid for international Scientific Research

Allocation TypeSingle-year Grants
SectionJoint Research
Research InstitutionThe University of Tokyo

Principal Investigator

IWATA Shuichi  RACE,The Univ.of Tokyo.Japan, Professor, 人口物工学研究センター, 教授 (50124665)

Co-Investigator(Kenkyū-buntansha) KISELYOVA N.n.  A.A.Baikov Inst.of Metallurgy, Russian Academy of Sci.Mosrau, Russian Federation, バイコフ国立治金研究所, 主任研究員
DELI Heng  中国, 清華大学材料研究所, 所長
RABE K.m.  Dept.of Applied Physics, Yale Univ., U.S.A.Prof., エール大学応用物理, 教授
CHELIKOWSKY J.r.  Dept.of Chemical Engineering & Materials Science, Minnesota Supercomputer Inst.,, ミネソタ大学スーパーコンピュータ研究所, 教授
PETTIFOR D.g.  Dept.of Materials, Univ.of Oxford, U.K.Prof., オックフォード大学, 教授
MCCARTHY J.l.  Lawrence Berkeley Lab., Univ.of California, U.S.A.Senior Research Specialist, ローレンスバークレイ研究所, 主任研究員
VILLARS P.  Intermetallic Phases Databank, Switzerland Representative, Research Specialist., ビラス金属間化合物, 代表研究員
RODGERS J.r.  National Research Council Canada, Senior Research Specialist., 科学技術情報研究所, 主任研究員
SEKIMURA N.  The Univ of Tokyo, Faculty of Eng., Associate Prof., 工学部, 助教授 (10183055)
LI Heng-de  Inst.of Materials Sci.and Eng., Tsinghua Univ.Beijing.China.Head.
LI HengーDe  清華大学, 材料研究所 (中国), 所長
RABE K.M.  エール大学, 応用物理 (アメリカ), 教授
CHELIKOESKY J.R.  ミネソタ大学, スーパーコンピュータ研究所 (アメリカ), 教授
HENG De Li  中国, 清華大学・材料研究所, 所長
W Andreoni  スイス, IBM研究所, 主任研究員
K Rabe  米国, エール大・応用物理, 教授
J R Chelikow  米国, ミネソタ大・スーパーコンピュータ研究所, 教授
A D Mighell  米国, NIST, 結晶データ部長
J McCarthy  米国, ローレンスバークレイ研究所, 主任研究員
P Villars  スイス, ビラス金属間化合物研究所, 代表研究員
J R Rodgers  カナダ, (カナダ学術会議)科学技術情報研究所, 主任研究員
Project Period (FY) 1992 – 1994
Project Status Completed (Fiscal Year 1994)
Budget Amount *help
¥6,900,000 (Direct Cost: ¥6,900,000)
Fiscal Year 1994: ¥2,900,000 (Direct Cost: ¥2,900,000)
Fiscal Year 1993: ¥2,800,000 (Direct Cost: ¥2,800,000)
Fiscal Year 1992: ¥1,200,000 (Direct Cost: ¥1,200,000)
KeywordsMaterial Design / Database / Knowledge base / Computer Network / Integrated System / Browsing Tolls / 知識ベース / 材料データベース / メタデータ / 構造マップ / 結晶構造 / 第一原理計算 / 自己組織化
Research Abstract

This project is a proposal to generate a "virtual laboratory" by showing an exemplar of intelligent integration of different computerized resources for materials design through computer network. This exemplar of virtual laboratory is an computational environment where we can share different levels of information for solution, materials design, materials selection, maintenance of artifacts, life cycle assessment and many future issues through computer networks.
The basic idea of materials design in this project is to prepare windows which confine solutions for each design requirement and preferably covers the materials complexity and diversity. Several approaches have been proposed, namely, first principles approaches, structure map approaches, functional maps, mechanism maps and sequences of material development experiences described by a set of production rules. In the process of integration methods will be needed to quickly and efficiently manage the growth, merge and perusal of mater … More ials information. Furthermore, methods to identify extrinsic relations of significance will become mandatory to extract essential relations for each design problem.
All the possibilities that may prepare seductive computational environments for materials design are evaluated and as a set of core nodes for it, we select a library for first principles and calculated data of elements to predict electronical structures for different materials, crystallographic data bases, potential databases, microstructural databases and materials properties databases. How to connect data and knowledge between different structural layrs are illustrated in the activity of deriving and evaluating of interatomic potentials. This procedure shows the interactions between different knowledge bases to articulate suitable abstraction/parameterization to increase a predictability as well as an efficiency of calculation in materials design.
The big issue that comes after integration of different data and knowledge concerns the quality of collected information. In order to deal with this issue browsers with respect to time and space is developed as a prototype, where how to acquire knowledge through rescaling, rearrangement and pattern matching for classification is discussed and partly implemented as as system. This issue becomes serious in dealing with dynamic microstructural changes and basic concepts on time and space are analyzed and taken into accounts for a specification of the prototype system. Less

Report

(3 results)
  • 1994 Final Research Report Summary
  • 1993 Annual Research Report
  • 1992 Annual Research Report
  • Research Products

    (13 results)

All Other

All Publications (13 results)

  • [Publications] J.Liu, S.Iwata: "Structural propeties of the endohedral complex Na^+C_<60>" J.Phys.,Condens Matter (U.K.). 6. L253-L258 (1994)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1994 Final Research Report Summary
  • [Publications] 陳迎,岩田修一、劉晶南、P.Villars: "材料設計のための構造的な要因の抽出(I)" 東京大学工学部紀要<A>年報. 第32号. 54-55 (1994)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1994 Final Research Report Summary
  • [Publications] Jing-Nan Liu, S.Iwata: "Structural properties of the endohedral complex Na^+@C_<60>" J.Phys., Condens Matter. (U.K.). 6. L253-L258 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1994 Final Research Report Summary
  • [Publications] Y.Chen, S.Iwata, J.Liu., P.Villars: "Articulation of Structural Primitives for Materials Design (I)" J.of the Faculty of Eng., the Univ.of Tokyo. (Jpn) series A.32. 54-55 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1994 Final Research Report Summary
  • [Publications] S.Iwata: "Material and Process Design by Database and Knowledge Base" Proc of COMMP'93,Tokyo. (Sept). 6-9 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] S.Iwata: "A Concept of a “Virtual Production Line" Produced by Integrating Databases and Models of Materials" MRS Bulletin. (July). 29-34 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] S.Iwata: "Data for Materials Design" ASTM-STP. (to be published).

    • Related Report
      1993 Annual Research Report
  • [Publications] N.Kiselyova: "Information-predicting systems for the design of new materials" J.Alloys and Compounds. 197. 159-165 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] P.Villars,A.Prince and H.Okamoto: "Ternary Alloy Phase Diagram Handbook" ASM International (to be published), -14000 (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] 岩田 修一・山本 孝志: "核燃料データシステムの構築" 東京大学工学部紀要. A-30. 52-53 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] S.IWATA: "A Concept of Virtual Production Line Produced by Integrating Databases and Models of Materials" MRS Bulletin.

    • Related Report
      1992 Annual Research Report
  • [Publications] S.IWATA: "Proc.of Computer Aided Molecutar and Material Design(to be published)" Academy of Sci.China,

    • Related Report
      1992 Annual Research Report
  • [Publications] S.IWATA: "Proc.of Int.Symposium on Intelligent Design and Synthesis of Electronic Materials Systems" Osaka Univ., (1992)

    • Related Report
      1992 Annual Research Report

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Published: 1992-04-01   Modified: 2016-04-21  

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