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Development of Multiscale Simulation Technique for Non-Linear Polymer Melt Flow on Unsteady State

Research Project

Project/Area Number 15K17733
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Biological physics/Chemical physics/Soft matter physics
Research InstitutionTohoku University

Principal Investigator

Murashima Takahiro  東北大学, 理学研究科, 助教 (50565520)

Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2017: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2016: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2015: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
Keywordsマルチスケールシミュレーション / 高分子 / レオロジー / 分子動力学シミュレーション / 分子動力学法 / 非平衡計算 / MPIデータ通信 / 高分子シミュレーション / 流体シミュレーション / 粒子法 / SPH / 粘弾性
Outline of Final Research Achievements

In the nonlinear flow behavior exhibited by polymer fluids, it is important to develop a multi - scale simulation method to solve by combining microscale and macroscale dynamics because microscale molecular motion affects macroscale flow behavior. In this study, we deal with the nonsteady state and consider the method of statistical processing to suppress the microscale fluctuation on the ensemble average and the moving time average method. We also considered the handling of the boundary condition of molecular dynamics simulation which is necessary when microscale simulation is replaced with molecular dynamics simulation.

Report

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

    (27 results)

All 2018 2017 2016 2015 Other

All Journal Article (4 results) (of which Peer Reviewed: 3 results,  Acknowledgement Compliant: 1 results) Presentation (21 results) (of which Int'l Joint Research: 9 results,  Invited: 10 results) Remarks (2 results)

  • [Journal Article] Inter node parallelization of multiscale fluid particle simulation towards large-scale polymeric fluid simulation2017

    • Author(s)
      Murashima Takahiro
    • Journal Title

      Microsystem Technologies

      Volume: 24 Issue: 1 Pages: 765-769

    • DOI

      10.1007/s00542-017-3413-x

    • Related Report
      2017 Annual Research Report 2016 Research-status Report
    • Peer Reviewed
  • [Journal Article] Multiscale simulation performed on ISSP super computer: Analysis of entangled polymer melt flow.2016

    • Author(s)
      Takahiro Murashima
    • Journal Title

      Activity Report 2015 / Supercomputer Center, Institute for Solid State Physics, The University of Tokyo

      Volume: - Pages: 35-43

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] 分子シミュレーション研究者のためのPCクラスタ入門2015

    • Author(s)
      村島隆浩
    • Journal Title

      分子シミュレーション研究会会誌「アンサンブル」

      Volume: 17 Pages: 209-217

    • Related Report
      2015 Research-status Report
  • [Journal Article] Molecular dynamics and Monte Carlo hybrid simulation for fuzzy tungsten nanostructure formation2015

    • Author(s)
      A.M. Ito, A. Takamyama, Y. Oda, T. Tamura, R. Kobayashi, T. Hattori, S. Ogata, N. Ohno, S. Kajita, M. Yajima, Y. Nojiri, Y. Yoshimoto, S. Saito, S. Takamura, T. Murashima, M. Miyamoto, H. Nakamura
    • Journal Title

      Nuclear Fusion

      Volume: 55 Issue: 7 Pages: 073013-073013

    • DOI

      10.1088/0029-5515/55/7/073013

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Presentation] Elongational flows in coarse-grained molecular dynamics simulations2018

    • Author(s)
      Takahiro Murashima
    • Organizer
      Bridging the Scales in Soft Matter Simulations
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Multiscale Simulation of Polymeric Liquids with Heat Transportation2017

    • Author(s)
      Takahiro Murashima
    • Organizer
      APS March Meeting 2017
    • Place of Presentation
      New Orleans, Louisiana, USA
    • Year and Date
      2017-03-13
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Multiscale simulation for polymeric liquid flow2017

    • Author(s)
      Takahiro Murashima
    • Organizer
      Computational Sciences Workshop 2017 (CSW2017)
    • Place of Presentation
      Shonan Village (神奈川県三浦郡葉山町)
    • Year and Date
      2017-03-06
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 分子シミュレーションによる高分子溶融体の伸長粘度解析2017

    • Author(s)
      村島隆浩
    • Organizer
      第31回分子シミュレーション討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Uniaxial Elongational Flow of Entangled Polymer Melt: Coarse-Grained Molecular Dynamics Simulation2017

    • Author(s)
      Takahiro Murashima
    • Organizer
      The 5th International Conference on Smart Systems Engineering 2017 (Smasys 2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 高分子流体のマルチスケールシミュレーション2017

    • Author(s)
      村島隆浩
    • Organizer
      計算統計物理学研究会 第7回研究会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 高分子流体のマルチスケールシミュレーション2017

    • Author(s)
      村島隆浩
    • Organizer
      インフォーマルセミナー(秋田県立大学、石本研究室)
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 高分子流体のマルチスケールシミュレーション2017

    • Author(s)
      村島隆浩
    • Organizer
      日本複合材料学会 第13回分子シミュレーション講義
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 複雑流体のための大規模マルチスケールシミュレーションの開発2017

    • Author(s)
      村島隆浩
    • Organizer
      物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の今と未来」
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Multiscale simulation of polymer flow developed for K computer2017

    • Author(s)
      Takahiro Murashima
    • Organizer
      International workshop on simulations of soft-matters
    • Place of Presentation
      Yamagata University (山形県米沢市)
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Multiscale simulation of polymer melt for large scale system2016

    • Author(s)
      Takahiro Murashima
    • Organizer
      The 4th International Conference on Molecular Simulation
    • Place of Presentation
      Shanghai, China
    • Year and Date
      2016-10-23
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Multiscale Simulation for Large Scale System2016

    • Author(s)
      Takahiro Murashima
    • Organizer
      The 4th International Conference on Smart Systems Engineering 2016 (SmaSys2016)
    • Place of Presentation
      Yamagata University (山形県米沢市)
    • Year and Date
      2016-10-13
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] 高分子流体のマルチスケールシミュレーション2016

    • Author(s)
      村島隆浩
    • Organizer
      第65回高分子討論会
    • Place of Presentation
      神奈川大学(神奈川県横浜市)
    • Year and Date
      2016-09-14
    • Related Report
      2016 Research-status Report
  • [Presentation] Multiscale simulation based on kernel gradient free method2016

    • Author(s)
      Takahiro Murashima
    • Organizer
      The XVIIth International Congress on Rheology (ICR2016)
    • Place of Presentation
      Kyoto TERRSA(京都府京都市)
    • Year and Date
      2016-08-08
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] スリップリンクモデルにおける流動中の高分子のコンフォーメーション2016

    • Author(s)
      村島隆浩
    • Organizer
      日本物理学会第71回年次大会
    • Place of Presentation
      仙台市泉区東北学院大学泉キャンパス
    • Year and Date
      2016-03-19
    • Related Report
      2015 Research-status Report
  • [Presentation] 流動中の高分子の変形履歴の可視化2015

    • Author(s)
      村島隆浩
    • Organizer
      第29回分子シミュレーション討論会
    • Place of Presentation
      新潟市中央区朱鷺メッセ(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] 高分子流体のマルチスケールシミュレーション-高分子の変形履歴-2015

    • Author(s)
      村島隆浩
    • Organizer
      計算科学連携センターセミナー~分子シミュレーションの産学利用のこれから~
    • Place of Presentation
      神戸市中央区港島南町兵庫県立大学神戸情報科学キャンパス
    • Year and Date
      2015-11-12
    • Related Report
      2015 Research-status Report
    • Invited
  • [Presentation] Multiscale Flow Dynamics of Entangled Polymer Melt2015

    • Author(s)
      Takahiro Murashima
    • Organizer
      IWACOM III
    • Place of Presentation
      KFC Hall at Ryogoku, Tokyo
    • Year and Date
      2015-10-12
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 高分子流体計算の並列効率向上と3D可視化2015

    • Author(s)
      村島隆浩
    • Organizer
      JHPCN:学際大規模情報基盤共同利用・共同拠点第7回シンポジウム
    • Place of Presentation
      東京都港区港南品川グランドセントラルタワーTHE GRAND HALL
    • Year and Date
      2015-07-09
    • Related Report
      2015 Research-status Report
  • [Presentation] 高分子流体のマルチスケールシミュレーションによる変形履歴の可視化2015

    • Author(s)
      村島隆浩
    • Organizer
      九大物性理論研究室・統計物理学研究室合同セミナー
    • Place of Presentation
      福岡市東区箱崎九州大学箱崎キャンパス
    • Year and Date
      2015-06-27
    • Related Report
      2015 Research-status Report
  • [Presentation] 高分子流体のマルチスケールシミュレーション2015

    • Author(s)
      村島隆浩
    • Organizer
      プラスチック成形加工学会第26回年次大会
    • Place of Presentation
      東京都江戸川区船堀タワーホール船堀
    • Year and Date
      2015-06-03
    • Related Report
      2015 Research-status Report
    • Invited
  • [Remarks] 村島隆浩 @ 東北大学

    • URL

      http://www.cmpt.phys.tohoku.ac.jp/~murasima/

    • Related Report
      2016 Research-status Report
  • [Remarks] 研究者紹介

    • URL

      http://db.tohoku.ac.jp/whois/detail/22079f21d54c53ae9ef577ba34a6c5c0.html

    • Related Report
      2015 Research-status Report

URL: 

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

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