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2010 Fiscal Year Final Research Report

Multi-scale simulation on Multiferroics

Research Project

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Project/Area Number 20360287
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical properties of metals
Research InstitutionHokkaido University

Principal Investigator

MOHRI Tetsuo  Hokkaido University, 大学院・工学研究院, 教授 (20182157)

Project Period (FY) 2008 – 2010
Keywordsクラスター変分法 / 連続変位クラスター変分法 / 格子振動 / 格子局所緩和 / 表面・界面物性 / 金属物性 / 界面勾配エネルギー / 交差相関
Research Abstract

Interface plays a deterministic role for cross coupling effects in multiferroics phenomena. In order to clarify the behavior of interface, atomistic configuration at the interface should be investigated. In the present study, Cluster Variation Method is employed to attempt systematic studies of interface, including atomistic structure, wetting, growth and coalescence phenomena.

  • Research Products

    (30 results)

All 2011 2010 2009 2008

All Journal Article (15 results) (of which Peer Reviewed: 15 results) Presentation (15 results)

  • [Journal Article] Minimization of the Free Energy under a Given Pressure by Natural Iteration Method2011

    • Author(s)
      Naoya Kiyokane, Tetsuo Mohri
    • Journal Title

      Materials Transactions 52巻

      Pages: 428-432

    • Peer Reviewed
  • [Journal Article] On-the-Fly Kinetic Monte Carlo Simulation of Atomic Diffusion in L1_0 Structure2011

    • Author(s)
      Kazufumi Sato, Satoshi Takizawa, Tetsuo Mohri
    • Journal Title

      Materials Transactions 52巻

      Pages: 391-396

    • Peer Reviewed
  • [Journal Article] A Monte Carlo Simulation of Melting in Prototype Crystal2010

    • Author(s)
      Kazufumi Sato, Satoshi Takizawa, Tetsuo Mohri
    • Journal Title

      Materials Science Forum 654-656巻

      Pages: 1512-1515

    • Peer Reviewed
  • [Journal Article] Application of Continuous Displacement Cluster Variation Method to study phase equilibria2010

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      Materials Science Forum 654-656巻

      Pages: 1496-1499

    • Peer Reviewed
  • [Journal Article] Theoretical Calculation of Activation Free Energy for Self-Diffusion in Prototype Crystal2010

    • Author(s)
      K.Sato, Satoshi Takizawa, Tetsuo Mohri
    • Journal Title

      Materials Transactions 51巻

      Pages: 1521-1525

    • Peer Reviewed
  • [Journal Article] A Wang-Landau Monte Carlo Simulation of Melting in fcc Lennard-Jones System2010

    • Author(s)
      Kazufumi Sato, Satoshi Takizawa, Tetsuo Mohri
    • Journal Title

      J.Phys.Soc.Japan 79巻

      Pages: 084602(1-7)

    • Peer Reviewed
  • [Journal Article] First-principles calculation of microstructural processes in alloys2010

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      Computational Materials Science 49巻

      Pages: S181-S186

    • Peer Reviewed
  • [Journal Article] Order of Phase Transition on a Simple Cubic Lattice Determined by Cluster Variation Method2009

    • Author(s)
      Naoya Kiyokane, Tetsuo Mohri
    • Journal Title

      Materials Transactions 51巻

      Pages: 463-468

    • Peer Reviewed
  • [Journal Article] First-principles approach to microstructural formation process2009

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      Proceedings Asia Steel 2009

      Pages: S13-02

    • Peer Reviewed
  • [Journal Article] A Kinetic Monte Carlo Simulation of ordering Process2009

    • Author(s)
      Kazufumi Sato, Satoshi Takizawa, Tetsuo Mohri
    • Journal Title

      J.Phys.Soc.Japan 78巻

      Pages: 114003-1, 114003-6

    • Peer Reviewed
  • [Journal Article] Theoretical Investigation of Lattice Thermal Vibration Effects on Phase Equilibria Within Cluster Variation Method2009

    • Author(s)
      T.Mohri
    • Journal Title

      Journal of Phase Equilibria and Diffusion 30巻

      Pages: 553-558

    • Peer Reviewed
  • [Journal Article] First-principles calculation of L10-disorder phase equilibria for Fe-Ni system2009

    • Author(s)
      Tetsuo Mohri, Ying Chen, Yu Jufuku
    • Journal Title

      CALPHAD 33巻

      Pages: 244-249

    • Peer Reviewed
  • [Journal Article]2009

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      Theoretical investigation of phase equilibria by the continuous displacement cluster variation method 100巻

      Pages: 301-307

    • Peer Reviewed
  • [Journal Article] Glass Transition within Cluster Variation Method2008

    • Author(s)
      Tetsuo Mohri, Y.Kobayashi
    • Journal Title

      Archives of Metallurgy and Materials 53巻

      Pages: 1089-1096

    • Peer Reviewed
  • [Journal Article] Thermal Expansion calculated by Continuous Displacement Cluster Variation Method2008

    • Author(s)
      Tetsuo Mohri
    • Journal Title

      Materials Transaction 43巻

      Pages: 2515-2520

    • Peer Reviewed
  • [Presentation] CVM-based First-principles Calculations for Fe-based Alloys2010

    • Author(s)
      Tetsuo Mohri
    • Organizer
      2010 MRS Fall Meeting
    • Place of Presentation
      Hynes Convention center, Boston, U.S.A.
    • Year and Date
      20101130-20101203
  • [Presentation] Continuous Displacement Cluster Variation Method as a tool to calculate thermodynamic quantities of alloys2010

    • Author(s)
      Tetsuo Mohri
    • Organizer
      TOFA 2010 (Discussion Meeting of Thermodynamics of Alloys)
    • Place of Presentation
      FEUP, Porto, Portugal
    • Year and Date
      20100912-20100916
  • [Presentation] Application of Continuous Displacement Cluster Variation Method to study phase equilibria2010

    • Author(s)
      Tetsuo Mohri
    • Organizer
      The Pacific Rim International Conference on Materials and Processing
    • Place of Presentation
      Cairns Convention Centre, Cairns, Australia
    • Year and Date
      20100802-20100806
  • [Presentation] Theoretical investigation of alloy phase equilibria by Continuous Displacement Cluster Variation Method2010

    • Author(s)
      Tetsuo Mohri
    • Organizer
      International Conference on Solid-Solid Phase Transformations in Inorganic Material
    • Place of Presentation
      Palais des Papes, Avignon, France
    • Year and Date
      20100606-20100611
  • [Presentation] Challenges in the theoretical calculations of phase equilibria and phase transformation by CVM2010

    • Author(s)
      Tetsuo Mohri
    • Organizer
      CALPAD XXXIX
    • Place of Presentation
      Ramada Plaza, Jeju, Korea
    • Year and Date
      20100523-20100528
  • [Presentation] Application of Continuous Displacement Cluster Variation Method to Phase Equilibria Calculations2010

    • Author(s)
      Tetsuo Mohri
    • Organizer
      TMS2010 139^<th> Annual Meeting and Exhibition
    • Place of Presentation
      Convention Center, Seattle, U.S.A.
    • Year and Date
      20100215-20100519
  • [Presentation] Order-disorder transition in alloy systems studied by Cluster Variation Method2010

    • Author(s)
      Tetsuo Mohri
    • Organizer
      The First CREST-SBM International Conference "Random Media"
    • Place of Presentation
      Sendai International Center, Sendai
    • Year and Date
      20100125-20100129
  • [Presentation] First-Principles Calculation of Microstructural Process in Alloys2009

    • Author(s)
      Tetsuo Mohri
    • Organizer
      Asian Consortium on Computational Materials Science 5 (ACCMS-5)
    • Place of Presentation
      Melia Hotel, Hanoi, Vietnam
    • Year and Date
      20090908-20090911
  • [Presentation] First-principles approach to microstructural formation process2009

    • Author(s)
      Tetsuo Mohri
    • Organizer
      Asia Steel International Conference
    • Place of Presentation
      Paradise Hotel, Busan, Korea
    • Year and Date
      20090524-20090527
  • [Presentation] Lattice relaxation effects on the phase equilibria investigated by CVM2009

    • Author(s)
      Tetsuo Mohri
    • Organizer
      CALPHAD XXXVIII
    • Place of Presentation
      Pyramida Hotel, Prague, Czech
    • Year and Date
      20090517-20090522
  • [Presentation] From electronic structure to microstructure2008

    • Author(s)
      T.Mohri
    • Organizer
      International Conf.on Novel aspects of phase transitions with long-range interactions
    • Place of Presentation
      Univ.Tokyo, Tokyo.
    • Year and Date
      20081028-20081030
  • [Presentation] First principles calculation of phase equilibria and lattice expansion of Fe-Ni system2008

    • Author(s)
      Tetsuo Mohri
    • Organizer
      International Alloy Conference-V
    • Place of Presentation
      Cliff-Hotel, Ruegen, Germany
    • Year and Date
      20080911-20080914
  • [Presentation] Theoretical Calculations of thermal expansion and phase stability of Fe-Ni system2008

    • Author(s)
      Tetsuo Mohri
    • Organizer
      SCTE 2008
    • Place of Presentation
      Westin Bellevue Hotel/Conference Centre, Dresden, Germany
    • Year and Date
      20080726-20080731
  • [Presentation] Glass Transition within Cluster Variation Method2008

    • Author(s)
      Tetsuo Mohri
    • Organizer
      TOFA 2008
    • Place of Presentation
      Hotel Cracovia, Krakow, Poland
    • Year and Date
      20080622-20080627
  • [Presentation] Phase Equilibria studied by Continuous Displacement Cluster Variation Method2008

    • Author(s)
      Tetsuo Mohri
    • Organizer
      CALPHAD XXXVII
    • Place of Presentation
      Riekonlinna, Saariselka, Finland
    • Year and Date
      20080615-20080620

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Published: 2012-01-26   Modified: 2016-04-21  

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