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Massive parallel calculations for phase transition driven by cooperative mechanisms with different time constants

Research Project

Project/Area Number 08650761
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical properties of metals
Research InstitutionHOKKAIDO UNIVERSITY

Principal Investigator

MOHRI Tetsuo  Hokkaido Univ., Grad.School of Engr., Pro., 大学院・工学研究科, 教授 (20182157)

Project Period (FY) 1996 – 1997
Project Status Completed (Fiscal Year 1997)
Budget Amount *help
¥2,100,000 (Direct Cost: ¥2,100,000)
Fiscal Year 1997: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 1996: ¥1,500,000 (Direct Cost: ¥1,500,000)
Keywordstime constant / relaxation time / order-disorder transition / Path Probability Method / correlation function / degree of order / 規則・不規則変態 / 経路確率法
Research Abstract

In the present study, the main focus is placed on order-disorder transition.
As a preliminary calculation, we performed short range order diffuse intensity calculation in the disordered region of fcc system by explicitly distinguishing the time constant of phonon vibration process and atomic diffusion process. It is revealed that kinetic effects appear in the temperature dependency of diffuse intensity as a deviation from the equilibrium locus.A purely mathematical analysis was followed and it was found that the appearance of kinetic effects corresponds to transformation and inverse transformation of a function.
A pseudo-critical slowing down phenomenon has been observed by electrical resistivity measurements for Ni3Pt intermetallic compound which undergoes first order transition. In order to reveal the mechanism, we attempted numerical calculation within the frameworks of the Tetrahedron Approximation of the Cluster Variation and Path Probability Methods. In the conventional Path Probability Method, an explicit temperature dependency is not considered in the atomic diffusion term in the path probability function. In the present study, on the other hand, a thermal activation process is introduced. The resultant relaxation time reproduces the normal temperature dependency for an ordinary temperature region except near transition temperature. Then, a slight temperature dependency is further introduced in the activation energy, and it was confirmed that the experimental result of abrupt increase of relaxation time in the vicinity of transition temperature is satisfactorily reproduced. When one considers the physical meanings of activation processes involved in the path probability function, one realizes that this additional activation process corresponds to the two distinguished relaxation processes resulting in the different time constants.

Report

(3 results)
  • 1997 Annual Research Report   Final Research Report Summary
  • 1996 Annual Research Report
  • Research Products

    (22 results)

All Other

All Publications (22 results)

  • [Publications] T.Mohri: "Theoretical Investigation of the phase stability of intermetallic compou-nds by CVM and PPM" Intermetallics.4. S3-S10 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] T.Mohri: "Kinetic Path for Disorder-L12 Tr-ansition Studied by the PPM" Stability of Materials. 205-210 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] T.Mohri: "Kinetic Path and Fluctuations ca-lsulated by the Path Probability Methods," Theory and Applications of the C-luster Variation and Path Probability M-ethods. 37-51 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Tetsuo, Mohri.: "Atomic Configuraition Studied by CVM and PPM" Modeling and Simulation for Mate-rials Design. 114-119 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Tetsuo, Mohri.: "Configurational kinetics for dis-order-L12transition studied by the path probability method" J.Alloys and Compounds. 247. 98-103 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Tetsuo, Mohri.: "Two distinctive relaxation times leading to kinetic behavior in the conf-igurational relaxation process" Materials Trans.,JIM. (印刷中).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] 菊地 良一: "クラスター変文法 材料物性論への応用" 森北出版株式会社, 179 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] T.Mohri: "Theoretical Investigation of the phase stability of intermetallic compounds by CVM and PPM"" Intermetallics. 4. S3-S10 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] T.Mohri: "Kinetic Path for Disorder-L12 Transition Studied by the PPM" Stability of Materials, Ed.by A.Gonis et al. Plenum Press, New York. 205-210 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] T.Mohri: "Kinetic Path and Fluctuations calculated by the Path Probability Methods" Theory and Applications of the Cluster Variation and Path Probability Methods, Ed.by J.L.Moran-Lopez et al., Plenum Press New York. 37-51 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Tetsuo Mohri: "Atomic Configuration Studied by CVM and PPM" Modeling and Simulation for Materials Design, Proc.International Workshop on Computer Modeling and Simulation for Materials Design, CMSMD '96ed.by S.Nishijima and H.Onodera. 114-119 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Tetsuo Mohri: "Configurational kinetics for disorder-L12 transition studied by the path probability method" J.Alloys and Compounds. Vol.247. 98-103 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Tetsuo Mohri: "Two distinctive relaxation times leading to kinetic behavior in the configurational relaxation process" Materials Trans., JIM. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Ryoikchi KIKUCHI: Cluster Variation Method 「Application to Materials Physics」 (in Japanese). Morikita Syuppan Co.Ltd., (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] T.Mohri: "Theoretical Investigation of the phase stability of intermetallic compounds by CVM and PPM" Intermetallics.4. S3-S10 (1996)

    • Related Report
      1997 Annual Research Report
  • [Publications] T.Mohri: "Kinetic Path for Disorder-L12 Transition Studied by the PPM" Stability of Materials. 205-210 (1996)

    • Related Report
      1997 Annual Research Report
  • [Publications] T.Mohri: "Kinetic Path and Fluctuations calculated by the Path Probability Methods," Theory and Applications of the Cluster Variation and Path Probability Methods. 37-51 (1996)

    • Related Report
      1997 Annual Research Report
  • [Publications] Tetsuo Mohri: "Atomic Configuration Studied by CVM and PPM" Modeling and Simulation for Materials Design. 114-119 (1996)

    • Related Report
      1997 Annual Research Report
  • [Publications] Tetsuo Mohri: "Configurational kinetics for disorder-L12 transition studied by the path probability method" J.Alloys and Compounds. 247. 98-103 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] Tetsuo Mohri: "Two distinctive relaxation times leading to kinetic behavior in the configurational relaxation process" Materials Trans.,JIM. 39-1. 154-158 (1998)

    • Related Report
      1997 Annual Research Report
  • [Publications] 菊地良一: "クラスター変分法「材料物性論への応用」" 森北出版株式会社, 179 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] T.Mohri: "Theoretical investigation of the phase stability of intermetallic compounds by CVM and PPM" Intermetallics. 4. S3-S10 (1996)

    • Related Report
      1996 Annual Research Report

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Published: 1996-04-01   Modified: 2016-04-21  

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