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Theoretical and the computer simulation studies on the surface of coulomb liquids

Research Project

Project/Area Number 02640278
Research Category

Grant-in-Aid for General Scientific Research (C)

Allocation TypeSingle-year Grants
Research Field 物性一般(含極低温・固体物性に対する理論)
Research InstitutionHiroshima University

Principal Investigator

WATABE Mitsuo  Hiroshima University, Faculty of Integrated Arts and Sciences, Professor, 総合科学部, 教授 (20004286)

Co-Investigator(Kenkyū-buntansha) HOSHINO Kozo  Hiroshima University, Faculty of Integrated Arts and Sciences, Associate Profess, 総合科学部, 助教授 (30134951)
Project Period (FY) 1990 – 1991
Project Status Completed (Fiscal Year 1991)
Budget Amount *help
¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 1991: ¥300,000 (Direct Cost: ¥300,000)
Fiscal Year 1990: ¥500,000 (Direct Cost: ¥500,000)
KeywordsLiquid / Surface / Computer simulation / Classical plasma / Liquid metal / Density profile / Correlation function / Surface tension / 一成分古典プラズマ / 理論 / 計算機シミュレ-ション / モンテカルロ法
Research Abstract

The surface properties of so-called coulomb liquids, such as liquid metals and alloys and molten salts, have been studied theoretically by many workers. The progress in such studies, however, is slow and there remains many fundamental unresolved problems, because of the difficulties peculiar to the surface of coulomb liquids such as a difference in the charge density distribution of ions and electrons at a surface. In this study we have carried out the Monte Carlo and the molecular-dynamics simulations on the surface of coulomb liquids and calculated the density profile near the surface, correlation functions, the surface tension and so on, and in particular we try to understand the characteristic features of the microscopic structure of the surface of coulomb liquids. We have obtained some important results from our studies. Particularly, it should be emphasized that we have found a very interesting phenomena of the surface crystarisation by performing the Monte Carlo simulation on the classical one-component plasma. This phenomena is really peculiar to the surface of coulomb liquids. We have also carried out the computer simulations, including the Car-Paffinello method, on bulk liquid metals and molten salts as a preparation for studying the surface properties of these systems.

Report

(3 results)
  • 1991 Annual Research Report   Final Research Report Summary
  • 1990 Annual Research Report
  • Research Products

    (29 results)

All Other

All Publications (29 results)

  • [Publications] N.Matsuda: "Universality in the structural change of expanded liquid alkali metals along the liquid-vapour coexistence curve" J.Phys.:Condens.Matter. 3. 827-836 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] H.Mori: "A new bridge function sheme in the modified hypernetted-chain approximation for liquid alloys" J.Phys.:Condens.Matter. 3. 9791-9795 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] K.Hoshino: "Electron density distribution in liquid sodium" J.Phys.Soc.Jpn.60. (1992)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] K.Hoshino: "Structure of expanded liquid caesium in the modified hypernetted-chain approximation" J.Phys.Soc.Jpn.59. 2027-2035 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] H.Mori: "Molecular dynamics study of the structure of expanded liquid caesium" J.Phys.Soc.Jpn.59. 3254-3259 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] A.Ishida: "Monte Carlo simulation studies of surface properties of liquid metals" J.Non-Cryst.Solids. 117/118. 650-653 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] M. Hasegawa and M. Watabe: "Surface properties of coulomb liquid : from the classical one-component plasma to liquid metals" Strongly Coupled Plasma Physics. Elsevier. 201-212 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] A. Ishida, T. Shirakawa, M. Hasegawa and M. Watabe: "Monte Carlo simulation for the surface properties of the strongly coupled one-component plasma" Strongly Coupled Plasma Physics. Elsevier. 129-132 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] A. Ishida, M. Hasegawa and M. Watabe: "Monte Carlo simulation studies of surface properties of liquid metals" J. Non-Cryst. Solids. 117/118. 650-653 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] K. Hoshino, N. Matsuda, H. Mori and M. Watabe: "Structure of expanded liquid calcium in the modified hypernetted-chain approximation" J. Phys. Soc. Jpn.59. 2027-2035 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] H. Mori, K. Hoshino and M. Watabe: "Molecular dynamics study of the structure of expanded liquid caesium" J. Phys. Soc. Jpn.59. 3254-3259 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] N. Matsuda, K. Hoshino and M. Watabe: "Role of the long-range oscillatory tail of the effective pair potential in determining the structure of liquid metal" J. Chem. Phys.93. 7350-7354 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] N. Matsuda, H. Mori, K. Hoshino and M. Watabe: "Universality in the structural change of expanded liquid alkali metals along the liquid-vapoyr coexistence curve" J. Phys. Condens. Matter. 3. 827-836 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] H. Mori, K. Hoshino and M. Watabe: "A new bridge function scheme in the modified hypernetted-chain approximation for liquid alloys" J. Phys. : Condens. Matter. 3. 9791-9795 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] H. Mori, K. Hoshino and M. Watabe: "Concentration dependence of the structure of liquid Li-Na alloys" J. Phys. Soc. Jpn.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] K. Hoshino and M. Watabe: "Electron density distribution in liquid sodium" J. Phys. Soc. Jpn.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] K. Hoshino: "Structure of liquids and computer simulation" Proceedings of Workshop on Materials Science and Development. (Sultan Qaboos University).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] N.Matsuda: "Universality in the Structural change of expanded liquid alkali metals along the liquidーvapour coexistence curve" J.Phys.:Condens.Matter. 3. 827-836 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] H.Mori: "A new bridge function scheme in the modified hypernettedーchain approximation for liquid alloys" J.Phys.:Condens.Matter. 3. 9791-9795 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] K.Hoshino: "Electron density distribution in liguid sodium" J.Phys.Soc.Jpn.60. (1992)

    • Related Report
      1991 Annual Research Report
  • [Publications] K.Hoshino: "Structure of expanded liquid caesium in the modified hypernettedchain approximation" J.Phys.Soc.Jpn.59. 2027-2035 (1990)

    • Related Report
      1991 Annual Research Report
  • [Publications] H.Mori: "Molecular dynamics study of the structure of expanded liquid caesium" J.Phys.Soc.Jpn.59. 3254-3259 (1990)

    • Related Report
      1991 Annual Research Report
  • [Publications] A.Ishida: "Monte Carlo simulation studies of surface proparties of liguid metals" J.NonーCryst.Solids. 117/118. 650-653 (1990)

    • Related Report
      1991 Annual Research Report
  • [Publications] K.Hoshino: "Structure of Expanded Liquid Caesium in the modified Hypernettedーchain Approximation" J.Phys.Soc.Japan. 59. 2027-2035 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] H.Mori: "Molecular Dynamic Study of the structure of Expanded Liquid Caesium" J.Phys.Soc.Japan. 59. 3254-3259 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] K.Hoshino: "Generalised BhatiaーMarch formula for concentration fluctuations in binary liquid mixtures:application to NaーCs" J.Phys.Cordens Matter. 2. 7345-7351 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] N.Matsuda: "Role of the longーrange oscillatory tail of the effective pair potential in determining the structure of liquid metals" J.Chem.Phys.93. 7350-7354 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] K.Hoshino: "Structure of expanded liquid caesium" J.NonーCryst.Solids. 117/118. 44-47 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] A.Ishida: "Monte Carlo simulation studies of surface properties of liquid metals" J.NonーCryst.Solids. 117/118. 650-653 (1990)

    • Related Report
      1990 Annual Research Report

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Published: 1990-04-01   Modified: 2016-04-21  

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