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Molecular Dynamics Analysis on Gas-Surface Interaction

Research Project

Project/Area Number 02452116
Research Category

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

Allocation TypeSingle-year Grants
Research Field Fluid engineering
Research InstitutionThe University of Tokyo

Principal Investigator

OHASHI Hideo  Univ. of Tokyo, Dept. of Mec. Eng., Associate Professor, 工学部, 教授 (90010678)

Co-Investigator(Kenkyū-buntansha) KOBAYASHI Toshio  Univ. of Tokyo, Inst. of Industrial Science, Professor, 生産技術研究所, 教授 (50013206)
ICHIKAWA Yasumasa  Univ. of Tokyo, Dept. of Mec. Eng., Assistant, 工学部, 助手 (40134473)
KAWADA Tatsuo  Univ. of Tokyo, Dept. of Mec. Eng., Assistant, 工学部, 助手 (00010851)
MATSUMOTO Yoichiro  Univ. of Tokyo, Dept. of Mec. Eng., Associate Professor, 工学部, 助教授 (60111473)
Project Period (FY) 1990 – 1991
Project Status Completed (Fiscal Year 1991)
Budget Amount *help
¥7,600,000 (Direct Cost: ¥7,600,000)
Fiscal Year 1991: ¥2,000,000 (Direct Cost: ¥2,000,000)
Fiscal Year 1990: ¥5,600,000 (Direct Cost: ¥5,600,000)
KeywordsGas-Surface Interaction / Molecular Dynamics / Heat Transfer / Sticking Probability / Accommodation factor / Maxwell model / Rarefied Gas
Research Abstract

The scattering process of a gas molecule on a clean and complete surface is simulated and analyzed by the molecular dynamics method. First, a thermal equilibrium state of a thin solid film is calculated using 864 molecules of Lennard-Jones type, and then the gas molecule, whose potential parameters and its mass is changed, has collide on to this surface. For one case of parameters hundreds of scattering is simulated. In some cases the Morse type potential is used for gas-solid interaction potential. The numerical results are :
1. The scattering behavior of gas molecule is differ from that in the diffuse model or Maxwell model.
2. The sticking probability of gas molecule is affected mainly by the initial gas velocity and the potential well depth.
3. The average of normal momentum of non-sticking molecules is very correlated with the initial normal momentum of them.
4. Using the Morse potential for the Xe-Pt (111) system, the sticking probability is agree with the experiment of Tully et al.
5. The energy transfer of gas to surface is limited in a certain period, that between the two maximum of kinetic energy of gas molecule in one collision. The amount of this energy transfer for one collision is very correlated to the kinetic energy at first maximum and its distribution function is controlled by the tangential momentum of gas molecule.

Report

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

    (18 results)

All Other

All Publications (18 results)

  • [Publications] Y.Matsumoto: "Numerical Analysis of Gas-Surface Interaction by the Molecular Dynamics Method" Proceedings of the 17th International Symposium on Rarefied Gas Dynamics. 889-896 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] J.Matsui: "Molecular Dynamics of Gas-Surface Interaction" Proceedings of the ASME JSME Thermal Engineering Joint Conference. vol4. 159-164 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] 松本 洋一郎: "固体ー気体境界における原子の挙動の分子動力学的解析" 第27回日本伝熱シンポジウム講演論文集. vol1. 346-348 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] 松井 純: "固体表面近傍における気体分子の挙動" 日本機械学会第69期全国大学講演論文集. vol.B. 59-61 (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] 松本 洋一郎: "分子動力学法による気体ー表面散乱の解析(第1報:LennardーJones分子系によるシミュレ-ション)" 日本機械学会論文集.

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] 松井 純: "分子動力学法による気体ー表面散乱の解析(第2報:XeーPt(111)系の動的挙動)" 日本機械学会論文集.

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] Y. Matsumoto and J. Matsui: ""Numerical Analysis of Gas-Surface Interaction by the Molecular Dynamics Method"" Proceedings of the 17th International Symposium on Rarefied Gas Dynamics. 889-896 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] J. Matsui and Y. Matsumoto: ""Molecular Dynamics of Gas-Surface Interaciton"" Proceedings of the ASME JSME Thermal Engineering Joint Conference. 1.4. 159-164 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] Y. Matsumoto and J. Matsui: ""The Behavior of Gas Molecule near the Surface by the Molecular Dynamics Method"" Proceedings of the 27th National Heat Transfer Symposium of Japan. 346-348 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] J. Matsui, Y. Matsumoto and H. Ohashi: ""The Gas-Surface Interaction by the Molecular Dynamics Method"Proceedings of the 68th JSME Fall Annual Meeting" 59-61 (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] Y. Matsumoto, J. Matsui and H. Ohashi: ""Numerical Analysis on Gas-Surface Interaction by Molecular Dynamics Method (1st Report : Simulation with Lennard-Jones Molecules)" Transactions of the JSME.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] J. Matsui, Y. Matsumoto and H. Ohashi: ""Numerical Analysis on Gas-Surface Interaction by Molecular Dynamics Method (2nd Report : Scatterubg Dynamics of Xenon on Pt (111)" Transactions of the JSME.

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1991 Final Research Report Summary
  • [Publications] Y.Matsumoto: "Numerical Analysis of GasーSurface Interaction by the Molecular Dynamics Method" Proceedings of the 17th International Symposium on Rarefied Gas Dynamics. 889-896 (1990)

    • Related Report
      1991 Annual Research Report
  • [Publications] J.Matsui: "Molecular Dynamics of GasーSurface Interaction" Proceedings of the ASME JSME Thermal Engineering Joint Conference. vol4. 159-164 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] 松本 洋一郎: "固体ー気体境界における原子の挙動の分子動力学的解析" 第27回日本伝熱シンポジウム講演論文集. vol1. 346-348 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] 松井 純: "固体表面近傍における気体分子の挙動" 日本機械学会第69期全国大会講演論文集. vol.B. 59-61 (1991)

    • Related Report
      1991 Annual Research Report
  • [Publications] 松本 洋一郎: "分子動力学法による気体ー表面散乱の解析(第1報:LennardーJones分子系によるシミュレ-ション)" 日本機械学会論文集.

    • Related Report
      1991 Annual Research Report
  • [Publications] 松井 純: "分子動力学法による気体ー表面散乱の解析(第2報:XeーPt(111)系の動的挙動)" 日本機械学会論文集.

    • Related Report
      1991 Annual Research Report

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

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