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2011 Fiscal Year Final Research Report

Nanodopant Analysis via Multiscale Numerical Method

Planned Research

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Project AreaNano Materials Science for Atomic Scale Modification
Project/Area Number 19053007
Research Category

Grant-in-Aid for Scientific Research on Priority Areas

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionOkayama University

Principal Investigator

TSURUTA Kenji  岡山大学, 大学院・自然科学研究科, 教授 (00304329)

Co-Investigator(Kenkyū-buntansha) KOYAMA Toshiyuki  名古屋工業大学, 大学院・工学研究科, 教授 (80225599)
OGATA Shuji  名古屋工業大学, 大学院・工学研究科, 教授 (90251404)
Co-Investigator(Renkei-kenkyūsha) HYODO Shiaki  兵庫県立大学, 大学院・シミュレーション学研究科, 教授 (20394520)
Project Period (FY) 2007 – 2011
Keywordsマルチスケール手法 / ナノ材料 / 格子欠陥 / 機能元素 / 構造・機能材料
Research Abstract

Novel methodologies/algorithms, which connect two or more physical scales, have been developed for the materials simulation as a tool to extract fundamental principles in materials science of functional elements. Also, through collaboration with a nanoscale measurement group and a process group in the project, the above-mentioned new techniques have been applied to quantitative elucidation of atomic/electronic structures of a dislocation and electronic states and stability of a segregated atom in alumina ceramic, which is adopted as a common sample in the project, and the effectiveness of the methods has been proved.

  • Research Products

    (23 results)

All 2011 2010 2009 2008 Other

All Journal Article (10 results) (of which Peer Reviewed: 10 results) Presentation (10 results) Book (2 results) Remarks (1 results)

  • [Journal Article] A Coupled Molecular Dynamics/Coarse-Grained-Particle Method for Dynamic Simulation of Crack Growth at Finite Temperatures2011

    • Author(s)
      R Kobayashi, T Nakamura, S Ogata
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 52 Pages: 1603- 1610

    • Peer Reviewed
  • [Journal Article] Structures and Local Electronic States of Dislocation Loop in 4H-SiC via a Linear-Scaling Tight-Binding Study2011

    • Author(s)
      F. Hamasaki, and K. Tsuruta
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 52 Pages: 672-676

    • Peer Reviewed
  • [Journal Article] Initial stage of consolidation of silicon-carbide nanocrystals under pressure: A tightbinding molecular-dynamics study2011

    • Author(s)
      K. Tsuruta
    • Journal Title

      JOURNAL OF NANOMATERIALS

      Volume: 2011 Pages: 308495

    • Peer Reviewed
  • [Journal Article] Phase-Field Simulation of _Y(A1)+ _Y'(L12)+ _Y''(D022) Three-Phase Microstructure Formation in Ni-base Superalloys2010

    • Author(s)
      T. Koyama
    • Journal Title

      INTERNATIONAL JOURNAL OF MATERIALS RESEARCHE

      Volume: 101 Pages: 527-533

    • Peer Reviewed
  • [Journal Article] Classical and Hybrid Density-Functional/Classical Molecular Dynamics Study of Dislocation Core in Alumina Ceramic2009

    • Author(s)
      K. Tsuruta, T. Koyama, and S. Ogata
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 50 Pages: 1015-1018

    • Peer Reviewed
  • [Journal Article] An FDTD Analysis of Nanostructured Electromagnetic Metamaterials Using Parallel Computer2009

    • Author(s)
      R. Umeda, C. Totsuji, K. Tsuruta, and H. Totsuji
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 50 Pages: 994-998

    • Peer Reviewed
  • [Journal Article] Phase-Field Simulation of Ferroelectric Domain Microstructure Changes in BaTiO_32009

    • Author(s)
      T. Koyama, and H. Onodera
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 50 Pages: 970-976

    • Peer Reviewed
  • [Journal Article] Development and Implementation of Recursive Coarse-Grained Particle Method for Meso-Scale Simulation2008

    • Author(s)
      R. Kobayashi, T. Nakamura, and S. Ogata
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 49 Pages: 2541-3549

    • Peer Reviewed
  • [Journal Article] Phase-field modeling of microstructure evolutions in magnetic materials2008

    • Author(s)
      T. Koyama
    • Journal Title

      SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

      Volume: 9 Pages: 013006-013014

    • Peer Reviewed
  • [Journal Article] Spin polarization of two-dimensional electron system in parabolic potential2008

    • Author(s)
      T. Miyake, C. Totsuji, K. Nakanishi, K. Tsuruta, H. Totsuji
    • Journal Title

      PHYSICS LETTERS A

      Volume: 372 Pages: 6197-6201

    • Peer Reviewed
  • [Presentation] マルチスケール手法によるナノ機能元素材料解析2011

    • Author(s)
      鶴田健二
    • Organizer
      日本金属学会 2011年秋期講演大会 S1機能元素のナノ材料科学
    • Place of Presentation
      沖縄カルチャーリゾートフェストーネ
    • Year and Date
      2011-11-09
  • [Presentation] Multiscale Material Simulations for Segregation Dynamics of Nanodopants2011

    • Author(s)
      K. Tsuruta
    • Organizer
      International Conference on Computational & Experimental Engineering and Sciences (ICCES'11)
    • Place of Presentation
      Nanjing, China
    • Year and Date
      2011-04-18
  • [Presentation] Microstructure Modeling on the Basis of the Phase-Field Method2010

    • Author(s)
      T. Koyama
    • Organizer
      Fifth International Conference on Multiscale Materials Modeling (MMM2010)
    • Place of Presentation
      Freiburg, Germany
    • Year and Date
      20101004-08
  • [Presentation] 材料の自発的構造形成と材料設計2010

    • Author(s)
      兵頭志明
    • Organizer
      日本化学会第90春季年会「産学交流シンポジウム2010」
    • Place of Presentation
      大阪
    • Year and Date
      20100300
  • [Presentation] 量子古典ハイブリッド手法によるナノ構造材料の力学物性・電磁応答解析2009

    • Author(s)
      鶴田健二
    • Organizer
      第18回日本MRS 学術シンポジウム・セッションJ「計算機シミュレーションによる格子欠陥やナノ構造の解明:新規材料創製を目指して」
    • Place of Presentation
      横浜
    • Year and Date
      20091200
  • [Presentation] 階層型シミュレーションと粗視化の方法2009

    • Author(s)
      兵頭志明
    • Organizer
      第22回計算力学講演会
    • Place of Presentation
      金沢
    • Year and Date
      20091000
  • [Presentation] Calculation of Stress-Strain Curve of Two-Phase Microstructure on the Basis of the Extended Secant Method2009

    • Author(s)
      T.Koyama, and H.Onodera
    • Organizer
      International Conference on Processing & Manufacturing of Advanced Materials (Thermec'2009)
    • Place of Presentation
      Berlin, Germany
    • Year and Date
      20090825-29
  • [Presentation] Hybrid Quantum/Classical Approaches to Nano- and Meta-Materials2009

    • Author(s)
      K. Tsuruta
    • Organizer
      2009 International Conference on Computational & Experimental Engineering and Sciences (ICCES'09)
    • Place of Presentation
      Phuket, Thailand
    • Year and Date
      2009-04-08
  • [Presentation] 機能元素のナノ材料科学に対するマルチスケール計算科学的アプローチ2009

    • Author(s)
      鶴田健二
    • Organizer
      日本金属学会 2009年春期講演大会 S4 機能元素のナノ材料科学(2)(S4・20)
    • Place of Presentation
      東京工業大学大岡山キャンパス
    • Year and Date
      2009-03-29
  • [Presentation] 理論計算による材料組織形成ダイナミクスの解析と特性計算2008

    • Author(s)
      小山敏幸
    • Organizer
      日本金属学会2009年春期講演大会 S4 機能元素のナノ材料科学(2)(S4・20)
    • Place of Presentation
      東京工業大学大岡山キャンパス
    • Year and Date
      2008-03-29
  • [Book] 材料設計計算工学 計算組織学編―フェーズフィールド法による組織形成解析 (材料学シリーズ)2011

    • Author(s)
      小山敏幸
    • Publisher
      内田老鶴圃
  • [Book] 「シミュレーション辞典」(分担執筆:「リチウムイオン電池」,「燃料電池」,および「計算力学(ナノテクノロジー)」担当)

    • Author(s)
      兵頭志明
    • Publisher
      シミュレーション学会編
  • [Remarks]

    • URL

      http://nanodopant.com/

URL: 

Published: 2013-07-31  

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