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Structure factor and transverse wave in liquids studied by molecular-dynamics simulations

Research Project

Project/Area Number 15K05214
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Mathematical physics/Fundamental condensed matter physics
Research InstitutionHiroshima University

Principal Investigator

MUNEJIRI SHUJI  広島大学, 総合科学研究科, 准教授 (90353119)

Research Collaborator TACHIBANA Yusuke  
YAMASAKI Masafumi  
SAKUMA Shota  
Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2017: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2016: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2015: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords液体 / 横波 / 分子動力学 / 動的構造因子 / 分子動力学シミュレーション
Outline of Final Research Achievements

The existence of the transverse wave in liquids has been well known by theoretical and molecular-dynamics studies. Recently, inelastic x-ray scattering experiments also found a peak in dynamic structure factor for various liquids, which might be related to the transverse wave. The purpose of this study is clarify the relation between the peak and transverse wave. We found that there exist several transverse waves for one wavelength due to anisotropic local structure of liquids. The frequency of averaged those transverse waves or that of a certain transverse wave among them might emerge as a peak in the dynamic structure factor.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • 2015 Research-status Report
  • Research Products

    (18 results)

All 2018 2017 2016 2015

All Journal Article (1 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 1 results) Presentation (17 results) (of which Int'l Joint Research: 2 results)

  • [Journal Article] Anomalous dispersion of the acoustic mode in liquid Bi2015

    • Author(s)
      M. Inui, Y. Kajihara, S. Munejiri, S. Hosokawa, A. Chiba, K. Ohara, S. Tsutsui, and A. Q. R. Baron
    • Journal Title

      Phys. Rev. B

      Volume: 92 Issue: 5 Pages: 054206-054206

    • DOI

      10.1103/physrevb.92.054206

    • NAID

      120006697263

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] 液体中の縦波と横波のMixing~多結晶との比較2018

    • Author(s)
      宗尻修治
    • Organizer
      日本物理学会第73回年次大会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 水‐メタノール混合系の音速~波数及び 温度依存性~2017

    • Author(s)
      山崎真史,佐久間翔太,宗尻修治
    • Organizer
      第31回分子シミュレーション討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] GPUを用いた動的構造因子計算プログラムの開発2017

    • Author(s)
      佐久間翔太,山崎真史,宗尻修治
    • Organizer
      第31回分子シミュレーション討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] GPUを用いた動的構造因子計算の高速化2017

    • Author(s)
      佐久間翔太,山崎真史,宗尻修治
    • Organizer
      日本コンピュータ化学会2017秋季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 水ーメタノール混合系における音速の波数依存性2017

    • Author(s)
      山崎真史,佐久間翔太,宗尻修治
    • Organizer
      日本コンピュータ化学会2017秋季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 溶液の動的構造因子計算の高速化~分子動力学法~2017

    • Author(s)
      佐久間翔太,山崎真史,宗尻修治
    • Organizer
      第40回溶液化学シンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] 分子動力学シミュレーションによる水-メタノール混合系の音速2017

    • Author(s)
      山崎真史,佐久間翔太,宗尻修治
    • Organizer
      第40回溶液化学シンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] Concentration dependence of sound velocity in water and methanol mixtures using molecular-dynamics simulations2017

    • Author(s)
      Masafumi Yamasaki, Sakuma Shota and Shuji Munejiri
    • Organizer
      The 11th Triennial Congress of the World Association of Theoretical and Computational Chemists
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 水―メタノール混合系中の音速~分子動力学シミュレーション~2016

    • Author(s)
      立花優侑,宗尻修治
    • Organizer
      第30回分子シミュレーション討論会
    • Place of Presentation
      大阪大学豊中キャンパス
    • Year and Date
      2016-11-30
    • Related Report
      2016 Research-status Report
  • [Presentation] 水-メタノール混合系におけるメタノールのポ テンシャルモデルの開発2016

    • Author(s)
      山崎 真史、宗尻修治
    • Organizer
      第30回分子シミュレーション討論会
    • Place of Presentation
      大阪大学豊中キャンパス
    • Year and Date
      2016-11-30
    • Related Report
      2016 Research-status Report
  • [Presentation] GPUを用いた近傍リスト作成の高速化-短距離相互作用分子動力学2016

    • Author(s)
      佐久間翔太, 宗尻修治
    • Organizer
      第30回分子シミュレーション討論会
    • Place of Presentation
      大阪大学豊中キャンパス
    • Year and Date
      2016-11-30
    • Related Report
      2016 Research-status Report
  • [Presentation] 分子動力学シミュレーションによる液体Caの動的構造の研究2016

    • Author(s)
      宗尻修治
    • Organizer
      日本物理学会2016年秋季大会
    • Place of Presentation
      金沢大学角間キャンパス
    • Year and Date
      2016-09-13
    • Related Report
      2016 Research-status Report
  • [Presentation] Sound velocity of water-methanol mixtures: Molecular dynamics2016

    • Author(s)
      Y. Tachibana and S. Munejiri
    • Organizer
      16th International Conference on Liquid and Amorphous Metals (LAM-16)
    • Place of Presentation
      Town Hall Bad Godesberg, Germany
    • Year and Date
      2016-09-04
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] 水 メタノール混合系の動的構造 ~分子動力学シミュレーション~2016

    • Author(s)
      立花優侑, 宗尻修治
    • Organizer
      日本物理学会 第71回年次大会
    • Place of Presentation
      東北学院大学 泉キャンパス
    • Year and Date
      2016-03-20
    • Related Report
      2015 Research-status Report
  • [Presentation] 分子動力学シミュレーションによる水 - アルコー ル混合系の動的構造の研究2015

    • Author(s)
      立花優侑, 宗尻修治
    • Organizer
      第29回分子シミュレーション討論会
    • Place of Presentation
      朱鷺メッセ(新潟コンベンションセンター)
    • Year and Date
      2015-11-30
    • Related Report
      2015 Research-status Report
  • [Presentation] 液体ビスマスにおける剛体球的集団運動2015

    • Author(s)
      乾雅祝, 梶原行夫, 宗尻修治, 細川伸也, 千葉文野, 尾原幸治, 筒井智嗣, アルフレッド・バロン
    • Organizer
      日本物理学会 2015年秋季大会
    • Place of Presentation
      関西大学
    • Year and Date
      2015-09-19
    • Related Report
      2015 Research-status Report
  • [Presentation] 分子動力学シミュレーションによる液体Cuの動的構造の研究2015

    • Author(s)
      宗尻修治
    • Organizer
      日本物理学会 2015年秋季大会
    • Place of Presentation
      関西大学
    • Year and Date
      2015-09-16
    • Related Report
      2015 Research-status Report

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Published: 2015-04-16   Modified: 2019-03-29  

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