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Construction of molecular dynamics simulator for analyses of flow phenomena of hydrogen by considering quantum effect

Research Project

Project/Area Number 24360065
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypePartial Multi-year Fund
Section一般
Research Field Fluid engineering
Research InstitutionTohoku University

Principal Investigator

TOKUMASU Takashi  東北大学, 流体科学研究所, 准教授 (10312662)

Co-Investigator(Kenkyū-buntansha) TSUBOI Nobuyuki  九州工業大学, 大学院工学研究院, 教授 (40342620)
TSUDA Shin-ichi  九州大学, 大学院工学研究院, 准教授 (00466244)
越 光男  東京大学, 工学(系)研究科(研究院), 教授 (20133085)
Project Period (FY) 2012-04-01 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥18,460,000 (Direct Cost: ¥14,200,000、Indirect Cost: ¥4,260,000)
Fiscal Year 2014: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2013: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Fiscal Year 2012: ¥12,870,000 (Direct Cost: ¥9,900,000、Indirect Cost: ¥2,970,000)
Keywords分子流体工学 / 水素 / 量子効果 / 熱物性 / 輸送物性 / 液体水素 / 分子動力学法 / 状態線図
Outline of Final Research Achievements

The effect of quantum effect of hydrogen molecule on the thermal properties and transport phenomena of liquid hydrogen was analyzed. Both the centroid molecular dynamics method and classical molecular dynamics method was used. As for the thermal properties, the difference of its characteristics from principle corresponding state which cannot be explained on the standpoint of classical dynamics was clearly explained by considering the quantum effect of hydrogen molecule. As for the transport phenomena, diffusion coefficient of hydrogen molecule do not change even though the quantum effect was considered. The thermal conductivity of liquid hydrogen by considering the quantum effect become smaller than that by evaluating the standpoint of classical dynamics.

Report

(4 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Annual Research Report
  • 2012 Annual Research Report
  • Research Products

    (31 results)

All 2014 2013 2012 Other

All Journal Article (13 results) (of which Peer Reviewed: 4 results,  Open Access: 1 results,  Acknowledgement Compliant: 1 results) Presentation (18 results)

  • [Journal Article] An analysis of quantum effects on the thermodynamic properties of cryogenic hydrogen using the path integral method2014

    • Author(s)
      Hiroki Nagashima, Shin-ichi Tsuda, Nobuyuki Tsuboi, Mitsuo Koshi, A. Koichi Hayashi, Takashi Tokumasu
    • Journal Title

      The Journal of Chemical Physics

      Volume: 140 Issue: 13 Pages: 134506-134506

    • DOI

      10.1063/1.4870036

    • Related Report
      2014 Annual Research Report 2013 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] A Nuclear Quantum Effect on the Transport Properties of Liquid Hydrogen2014

    • Author(s)
      Hiroki Nagashima, Shin-ichi Tsuda, Nobuyuki Tsuboi, Mitsuo Koshi, A. Koichi Hayashi and Takashi Tokumasu
    • Journal Title

      Proceedings of CONV-14: Internaional Symposium on Convective Heat and Mass Transfer

      Volume: 1

    • Related Report
      2014 Annual Research Report
    • Acknowledgement Compliant
  • [Journal Article] Extraction of the Density Fluctuations in Diatomic Fluids Around the Critical Points Using Molecular Dynamics Simulation2014

    • Author(s)
      Shin-ichi Tsuda, Masato Tomi, Nobuyuki Tsuboi, Shohei Ikawa, and Takashi Tokumasu
    • Journal Title

      Journal of Nanoscience and Nanotechnology

      Volume: 14 Pages: 1-4

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] An Analysis of Quantum Effect on the <i>p-V-T</i> Relation of Cryogenic Hydrogen Using Centroid Molecular Dynamics Method2013

    • Author(s)
      永島浩樹, 津田伸一, 坪井伸幸, 越光男, 林光一, 徳増崇
    • Journal Title

      TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series B

      Volume: 79 Issue: 805 Pages: 1848-1857

    • DOI

      10.1299/kikaib.79.1848

    • NAID

      130004555268

    • ISSN
      0387-5016, 1884-8346
    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Limits of Classical Molecular Simulation on the Estimation of Thermodynamic Properties of Cryogenic Hydrogen2012

    • Author(s)
      H.Nagashima, T.Tokumasu, S.Tsuda, N.Tsuboi, M.Koshi, A.K.Hayashi
    • Journal Title

      Molecular Simulation

      Volume: 38 Issue: 5 Pages: 404-413

    • DOI

      10.1080/08927022.2010.548383

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] An Analysis of Quantum Effect on the Thermodynamic Properties of Cryogenic Hydrogen using Path Integral Centroid Molecular Dynamics Method2012

    • Author(s)
      H. Nagashima, S. Tsuda, N. Tsuboi, M. Koshi, A. K. Hayashi and T. Tokumasu
    • Journal Title

      Proceedings of the 22nd International Conference on Chemical Thermodynamics and 67th Calorimetry Conference

      Volume: -

    • Related Report
      2012 Annual Research Report
  • [Journal Article] A Molecular Dynamics Study on the Thermodynamic Analysis of Cryogenic Hydrogen2012

    • Author(s)
      H. Nagashima, S. Tsuda, N. Tsuboi, M. Koshi, A. K. Hayashi and T. Tokumasu
    • Journal Title

      Proceedings of the Ninth International Conference on Flow Dynamics

      Volume: - Pages: 586-587

    • Related Report
      2012 Annual Research Report
  • [Journal Article] An Analysis of Quantum Effect on the Thermodynamic Properties of Cryogenic Hydrogen2012

    • Author(s)
      H. Nagashima, S. Tsuda, N. Tsuboi, M. Koshi, A. K. Hayashi and T. Tokumasu
    • Journal Title

      Proceedings of the 3rd International Forun on Heat Transfer

      Volume: -

    • Related Report
      2012 Annual Research Report
  • [Journal Article] 量子分子動力学法を用いた低温水素の量子効果の影響解析2012

    • Author(s)
      永島浩樹, 津田伸一,坪井伸幸, 越光男, 林光一, 徳増崇
    • Journal Title

      第26回数値流体力学シンポジウム 講演予稿集

      Volume: -

    • Related Report
      2012 Annual Research Report
  • [Journal Article] 経路積分セントロイド分子動力学法を用いた液体水素の熱物性評価2012

    • Author(s)
      永島浩樹, 津田伸一,坪井伸幸, 越光男, 林光一, 徳増崇
    • Journal Title

      第49回日本伝熱シンポジウム 講演論文集

      Volume: -

    • Related Report
      2012 Annual Research Report
  • [Journal Article] An Effect of Quantum Nature of Cryogenic Hydrogen on the Thermodynamic Properties of Liquid hydrogen2012

    • Author(s)
      H. Nagashima, S. Tsuda, N. Tsuboi, M. Koshi, A. K. Hayashi and T. Tokumasu
    • Journal Title

      Proceedings of the Eighth KSME-JSME Thermal and Fluids Engineering Conference

      Volume: -

    • Related Report
      2012 Annual Research Report
  • [Journal Article] 経路積分セントロイド分子動力学法を用いた低温水素の熱物性解析2012

    • Author(s)
      永島浩樹, 津田伸一, 坪井伸幸, 越光男, 林光一, 徳増崇
    • Journal Title

      日本機械学会2012年度年次大会 講演予稿集

      Volume: -

    • Related Report
      2012 Annual Research Report
  • [Journal Article] 水素分子の量子効果が熱物性に与える影響解析2012

    • Author(s)
      永島浩樹, 津田伸一, 坪井伸幸, 越光男, 林光一, 徳増崇
    • Journal Title

      第26回分子シミュレーション討論会 講演要旨集

      Volume: - Pages: 19-19

    • Related Report
      2012 Annual Research Report
  • [Presentation] An Analysis of Nuclear Quantum Effect on Thermodynamic and Transport Properties of Hydrogen using Molecular Dynamics Method2014

    • Author(s)
      Hiroki Nagashima, Shin-ichi Tsuda, Nobuyuki Tsuboi, A. Koichi Hayashi and Takashi Tokumasu
    • Organizer
      20th European Conference on Thermophysical Properties
    • Place of Presentation
      ポルト(ポルトガル)
    • Year and Date
      2014-09-01
    • Related Report
      2014 Annual Research Report
  • [Presentation] A Nuclear Quantum Effect on the Transport Properties of Liquid Hydrogen2014

    • Author(s)
      Hiroki Nagashima, Shin-ichi Tsuda, Nobuyuki Tsuboi, Mitsuo Koshi, A. Koichi Hayashi and Takashi Tokumasu
    • Organizer
      International Symposium on Convective Heat and Mass Transfer
    • Place of Presentation
      クサダイ(タイ)
    • Year and Date
      2014-06-10
    • Related Report
      2014 Annual Research Report
  • [Presentation] 液体水素の輸送物性における 量子効果発現メカニズムの分子動力学的解析2014

    • Author(s)
      永島浩樹, 津田伸一, 坪井伸幸, 越光男, 林光一, 徳増崇
    • Organizer
      第51回日本伝熱シンポジウム
    • Place of Presentation
      浜松(アクトシティ浜松・コングレスセンター)
    • Year and Date
      2014-05-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] A Molecular Dynamics Study of the Nuclear Quantum Effect on the Transport Properties of Liquid Hydrogen2014

    • Author(s)
      Hiroki Nagashima, Shin-ichi Tsuda, Nobuyuki Tsuboi, Mitsuo Koshi, A. Koichi Hayashi and Takashi Tokumasu
    • Organizer
      the 5th International Conference on Heat Transfer and Fluid Flow in Microscale
    • Place of Presentation
      マルセイユ(フランス)
    • Year and Date
      2014-04-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] A Molecular Dynamics Study of Nuclear Quantum Effect on the Diffusion of Hydrogen in Condensed Phase2014

    • Author(s)
      Hiroki Nagashima, Shin-ichi Tsuda, Nobuyuki Tsuboi, Mitsuo Koshi, A. Koichi Hayashi and Takashi Tokumasu
    • Organizer
      the 10th International Conference of Computational Methods in Science and Engineering
    • Place of Presentation
      アテネ(ギリシア)
    • Year and Date
      2014-04-05
    • Related Report
      2014 Annual Research Report
  • [Presentation] 量子効果が低温水素の熱・輸送物性メカニズムに与える影響の分子動力学的解析

    • Author(s)
      永島浩樹、津田伸一、坪井伸幸、越光男、林光一、徳増崇
    • Organizer
      日本機械学会2013年度年次大会
    • Place of Presentation
      岡山大学(岡山県)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Molecular Dynamics Analysis of Quantum Effect on the Thermodynamic Properties of Liquid Hydrogen

    • Author(s)
      Hiroki Nagashima, Shin-ichi Tsuda, Nobuyuki Tsuboi, A. Koichi Hayashi and Takasih Tokumasu
    • Organizer
      ASME 11th International Conference on Nanochannels, Microchanneles, and Minichannels
    • Place of Presentation
      北海道大学(北海道)
    • Related Report
      2013 Annual Research Report
  • [Presentation] An analysis of the quantum effect on the thermodynamic and transport properties of cryogenic hydrogen using molecular dynamics method

    • Author(s)
      Hiroki Nagashima, Shin-ichi Tsuda, Nobuyuki Tsuboi, A. Koichi Hayashi and Takasih Tokumasu
    • Organizer
      International Conference on Mathematical Modeling in Physical Sciences 2013
    • Place of Presentation
      プラハ(チェコ共和国)
    • Related Report
      2013 Annual Research Report
  • [Presentation] A Molecular Dynamics Study on the Thermodynamic and Transport Properties of Liquid Hydrogen

    • Author(s)
      Hiroki Nagashima, Shin-ichi Tsuda, Nobuyuki Tsuboi, A. Koichi Hayashi and Takasih Tokumasu
    • Organizer
      International Conference on Fluid Dynamics 2013
    • Place of Presentation
      仙台国際センター(宮城県)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Extraction of the Density Fluctuations in Diatomic Fluids around the Critical Points Using Molecular Dynamics Simulation

    • Author(s)
      Shin-ichi Tsuda, Masato Tomi, Nobuyuki Tsuboi, Shohei Ikawa, and Takashi Tokumasu
    • Organizer
      The 4th International Symposium on Micro and Nano Technology
    • Place of Presentation
      上海国際会議センター(中国/上海市)
    • Related Report
      2013 Annual Research Report
  • [Presentation] A Molecular Dynamics Simulation of the Density Fluctuation in the Diatomic Fluids around the Critical Points

    • Author(s)
      Shohei Ikawa, Takashi Tokumasu, Nobuyuki Tsuboi, and Shin-ichi Tsuda
    • Organizer
      American Physical Society March Meeting 2014
    • Place of Presentation
      コロラドコンベンションセンター(アメリカ合衆国/コロラド州)
    • Related Report
      2013 Annual Research Report
  • [Presentation] 分子動力学計算による二原子分子流体の臨界点近傍における密度ゆらぎの評価

    • Author(s)
      井川 祥平, 徳増 崇, 坪井伸幸, 津田伸一
    • Organizer
      日本航空宇宙学会北部支部 2014年講演会
    • Place of Presentation
      東北大学青葉記念会館(宮城県)
    • Related Report
      2013 Annual Research Report
  • [Presentation] An Analysis of Quantum Effect on the Thermodynamic Properties of Cryogenic Hydrogen using Path Integral Centroid Molecular Dynamics Method

    • Author(s)
      Hiroki Nagashima
    • Organizer
      The 22nd International Conference on Chemical Thermodynamics
    • Place of Presentation
      Buzios, Brazil
    • Related Report
      2012 Annual Research Report
  • [Presentation] A Molecular Dynamics Study on the Thermodynamic Analysis of Cryogenic Hydrogen

    • Author(s)
      Hiroki Nagashima
    • Organizer
      The Ninth International Conference on Flow Dynamics
    • Place of Presentation
      仙台、日本
    • Related Report
      2012 Annual Research Report
  • [Presentation] An Analysis of Quantum Effect on the Thermodynamic Properties of Cryogenic Hydrogen

    • Author(s)
      Takashi Tokumasu
    • Organizer
      The 3rd International Forun on Heat Transfer
    • Place of Presentation
      長崎、日本
    • Related Report
      2012 Annual Research Report
  • [Presentation] 経路積分セントロイド分子動力学法を用いた低温水素の熱物性解析

    • Author(s)
      永島浩樹
    • Organizer
      日本機会学会2012年度年次大会
    • Place of Presentation
      金沢、日本
    • Related Report
      2012 Annual Research Report
  • [Presentation] 水素分子の量子効果が熱物性に与える影響解析

    • Author(s)
      永島浩樹
    • Organizer
      第26回分子シミュレーション討論会
    • Place of Presentation
      福岡、日本
    • Related Report
      2012 Annual Research Report
  • [Presentation] 低温水素の熱・輸送物性における量子効果発現メカニズ ムの分子動力学的解析

    • Author(s)
      永島浩樹
    • Organizer
      第50回日本伝熱シンポジウム
    • Place of Presentation
      仙台、日本
    • Related Report
      2012 Annual Research Report

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Published: 2012-04-24   Modified: 2019-07-29  

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