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Numerical study of realization and analysis of the densest packing structures of multi-component hard-sphere systems

Research Project

Project/Area Number 25800214
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Mathematical physics/Fundamental condensed matter physics
Research InstitutionToho University

Principal Investigator

NOGAWA Tomoaki  東邦大学, 医学部, 講師 (00399982)

Project Period (FY) 2013-04-01 – 2016-03-31
Project Status Completed (Fiscal Year 2015)
Budget Amount *help
¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2015: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2014: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2013: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Keywordsガラス / 剛体球 / 多分散 / モンテカルロ法 / ランダム構造 / 最適化
Outline of Final Research Achievements

We studied multi-component hard-sphere systems to understand the material-composition dependence of the glass formation mechanism. We remark on the densest packing state, which is independent of the process of preparation but determined only by the material composition. The densest state is realized in a computer by full search of the macroscopic states. For this aim, we developed the method by unifying the Wang-Landau sampling and the replica exchange method. It is found that the search is accelerated by employing macroscopic state variables in addition to the particle density. In high density region, we find the Wang-Landau sampling does not converge. We avoided it by the extrapolation and analyze the reason in detail.

Report

(4 results)
  • 2015 Annual Research Report   Final Research Report ( PDF )
  • 2014 Research-status Report
  • 2013 Research-status Report
  • Research Products

    (5 results)

All 2016 2014 Other

All Presentation (5 results)

  • [Presentation] 剛体粒子グランドカノニカルMCにおける高密度領域での困難と対策2016

    • Author(s)
      能川知昭
    • Organizer
      統計物理の新展開2016
    • Place of Presentation
      大阪府・大阪市・大阪大学中之島センター
    • Year and Date
      2016-03-26
    • Related Report
      2015 Annual Research Report
  • [Presentation] 連続空間剛体球系のWang-Landau法の収束2016

    • Author(s)
      能川知昭
    • Organizer
      日本物理学会2016年次大会
    • Place of Presentation
      宮城県・仙台市・東北学院大学泉キャンパス
    • Year and Date
      2016-03-20
    • Related Report
      2015 Annual Research Report
  • [Presentation] Searching of the dense packing state of hard-sphere systems by using the Wang-Landau sampling2014

    • Author(s)
      Tomoaki Nogawa
    • Organizer
      International Symposium on Extended Molecular Dynamics and Enhanced Sampling: Nosé Dynamics 30 Years
    • Place of Presentation
      Keio University (minato-ku,Tokyo)
    • Year and Date
      2014-11-11
    • Related Report
      2014 Research-status Report
  • [Presentation] Wang-Landau法による2成分剛体球の稠密クラスタの探索 II2014

    • Author(s)
      能川知昭
    • Organizer
      日本物理学会2014秋季大会
    • Place of Presentation
      中部大学春日井キャンパス(愛知県・春日井市)
    • Year and Date
      2014-09-08
    • Related Report
      2014 Research-status Report
  • [Presentation] Wang-Landau法による2成分剛体球の 稠密クラスタの探索

    • Author(s)
      能川知昭
    • Organizer
      日本物理学会2013秋季大会
    • Place of Presentation
      徳島大学常三島キャンパス(徳島県)
    • Related Report
      2013 Research-status Report

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Published: 2014-07-25   Modified: 2019-07-29  

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