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Simulation Study of Supercooled Liquid State on Complex Fluids

Research Project

Project/Area Number 23540434
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 InstitutionTohoku University

Principal Investigator

TERADA Yayoi  東北大学, 金属材料研究所, 特任准教授 (20301814)

Co-Investigator(Kenkyū-buntansha) TOKUYAMA Michio  東北大学, 多元物質科学研究所, 研究支援者 (40175477)
Project Period (FY) 2011 – 2013
Project Status Completed (Fiscal Year 2013)
Budget Amount *help
¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000)
Fiscal Year 2013: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2012: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2011: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
Keywordsガラス相転移 / 結晶相転移 / レプリカ交換法 / 国際情報交換 / ボストン大学 / ガラス転移 / 過冷却液体状態 / 国際情報交流(アメリカ)
Research Abstract

To discuss the supercooled liquid state on complex fluids like water, we perform generalized replica exchange method (gREM) computer simulations on model glass formers, 12-6 polydisperse Lennard-Jones system with a Gaussian size polydispersity at constant pressure. We obtain the preliminary gas-liquid-crystal-glass phase diagram of polydisperse LJ systems on temperature- size polydispersity plane at constant pressure not only between the triple point and the critical point, but also above the critical point. The gREM was created to study first order transitions. This simulation resutls suggest that it is a powerful algorithm for phase equilibrium on complex fluids in general.

Report

(4 results)
  • 2013 Annual Research Report   Final Research Report ( PDF )
  • 2012 Research-status Report
  • 2011 Research-status Report
  • Research Products

    (22 results)

All 2014 2013 2012 2011 Other

All Journal Article (1 results) (of which Peer Reviewed: 1 results) Presentation (21 results)

  • [Journal Article] Effect of Size Polydispersity on Liquid-Glass Crossover, Liquid-Crystal Transition, and Gas-Liquid Transition of Lennard-Jones Fluids2013

    • Author(s)
      Y. Terada, T. Keyes, J. Kim, M. Tokuyama
    • Journal Title

      AIP Conference Proceedings

      Volume: 1518 Pages: 776-783

    • DOI

      10.1063/1.4794678

    • Related Report
      2013 Final Research Report 2012 Research-status Report
    • Peer Reviewed
  • [Presentation] 多分散粒子系における相図2014

    • Author(s)
      寺田弥生, T. Keyes, J. Kim
    • Organizer
      日本物理学会第69回年次大会
    • Place of Presentation
      平塚
    • Year and Date
      2014-03-27
    • Related Report
      2013 Final Research Report
  • [Presentation] 多分散粒子系における相図2014

    • Author(s)
      寺田 弥生,T. Keyes,J. Kim
    • Organizer
      日本物理学会 第69回年次大会
    • Place of Presentation
      東海大学 湘南キャンパス, 平塚
    • Related Report
      2013 Annual Research Report
  • [Presentation] 多分散レナード・ジョーンズ系における相図の粒度分布と温度依存性2013

    • Author(s)
      寺田弥生, T. Keyes, J. Kim
    • Organizer
      第4回CMSI研究会
    • Place of Presentation
      柏
    • Year and Date
      2013-12-13
    • Related Report
      2013 Final Research Report
  • [Presentation] Effect of Size Polydispersity on Phase Equilibria of Lennard-Jones Systems2013

    • Author(s)
      Y. Terada, T. Keyes, and J. Kim
    • Organizer
      2013 Materials Research Society Fall Meeting
    • Place of Presentation
      Boston, USA
    • Year and Date
      2013-12-05
    • Related Report
      2013 Final Research Report
  • [Presentation] Pressure Dependence on Phase Behavior of Polydisperse Lennard-Jones System2013

    • Author(s)
      Y. Terada, T. Keyes, and J. Kim
    • Organizer
      The 8th General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization
    • Place of Presentation
      Sendai
    • Year and Date
      2013-11-08
    • Related Report
      2013 Final Research Report
  • [Presentation] 多分散レナードジョーンズシステムのガラス転移近傍の多分散度・圧力・温度依存性2013

    • Author(s)
      寺田弥生, T. Keyes, J. Kim
    • Organizer
      日本物理学会2013年秋季大会
    • Place of Presentation
      徳島
    • Year and Date
      2013-09-26
    • Related Report
      2013 Final Research Report
  • [Presentation] 多分散レナードジョーンズシステムのガラス転移近傍の多分散度・圧力・温度依存性2013

    • Author(s)
      寺田 弥生,T. Keyes,J. Kim
    • Organizer
      日本物理学会 2013年秋季大会
    • Place of Presentation
      徳島大学, 徳島
    • Related Report
      2013 Annual Research Report
  • [Presentation] Pressure Dependence on Phase Behavior of Polydisperse Lennard-Jones System2013

    • Author(s)
      Y. Terada, T. Keyes, and J. Kim
    • Organizer
      The 8th General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization
    • Place of Presentation
      さくらホール, 仙台
    • Related Report
      2013 Annual Research Report
  • [Presentation] Effect of Size Polydispersity on Phase Equilibria of Lennard-Jones Systems2013

    • Author(s)
      Y. Terada, T. Keyes, and J. Kim
    • Organizer
      2013 Materials Research Society Fall Meeting
    • Place of Presentation
      hynes convention center, Boston, USA
    • Related Report
      2013 Annual Research Report
  • [Presentation] 多分散レナード・ジョーンズ系における相図の粒度分布と温度依存性2013

    • Author(s)
      寺田 弥生,T. Keyes,J. Kim
    • Organizer
      第4回 CMSI 研究会
    • Place of Presentation
      東京大学 物性研究所, 柏
    • Related Report
      2013 Annual Research Report
  • [Presentation] Effect of Size Polydispersity on Liquid-Glass Crossover, Liquid-Crystal Transition, and Gas-Liquid Transition of Lennard-Jones Fluids2012

    • Author(s)
      Y. Terada, T. Keyes, J. Kim, and M. Tokuyama
    • Organizer
      The 4th Int. Sympo. on Slow Dynamics in Complex Systems - Keep Going Tohoku -
    • Place of Presentation
      Sendai, Japan
    • Year and Date
      2012-12-06
    • Related Report
      2013 Final Research Report
  • [Presentation] Phase Behavior of Polydisperse Lennard-Jones System2012

    • Author(s)
      Y. Terada, T. Keyes, J. Kim, and M. Tokuyama
    • Organizer
      The Seventh General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization
    • Place of Presentation
      Sendai
    • Year and Date
      2012-11-25
    • Related Report
      2013 Final Research Report
  • [Presentation] 多分散LJ流体の気体-液体-結晶ガラス相転移2012

    • Author(s)
      寺田弥生, T. Keyes, J. Kim, 徳山道夫
    • Organizer
      第2回ソフトマター研究会
    • Place of Presentation
      福岡
    • Year and Date
      2012-09-25
    • Related Report
      2013 Final Research Report
  • [Presentation] Liquid-Glass Crossover and LiquidCrystal Transition of Polydisperse Lennard-Jones Particle Systems2012

    • Author(s)
      Y. Terada, T. Keyes, J. Kim, and M. Tokuyama
    • Organizer
      5th Discussion Meeting on Glass Transition
    • Place of Presentation
      Sendai, Japan
    • Year and Date
      2012-02-27
    • Related Report
      2013 Final Research Report
  • [Presentation] Liquid-Glass Transition of Polydisperse Lenard-Jones Particle Systems2012

    • Author(s)
      Y. Terada, T. Keyes, J. Kim, and M. Tokuyama
    • Organizer
      The 2012 WPI-AIMR Annual Workshop
    • Place of Presentation
      Sendai, Japan
    • Year and Date
      2012-02-22
    • Related Report
      2013 Final Research Report 2011 Research-status Report
  • [Presentation] 多分散LJ流体の気体-液体-結晶・ガラス相転移2012

    • Author(s)
      寺田 弥生、 T. Keyes、J. Kim、徳山 道夫
    • Organizer
      第2回ソフトマター研究会
    • Place of Presentation
      福岡
    • Related Report
      2012 Research-status Report
  • [Presentation] Liquid-Glass Crossover and Liquid-Crystal Transition of Polydisperse Lenard-Jones Particle Systems2012

    • Author(s)
      Y. Terada*, T. Keyes, J. Kim, and M. Tokuyama
    • Organizer
      5th Discussion Meeting on Glass Transition
    • Place of Presentation
      Sendai, Japan
    • Related Report
      2011 Research-status Report
  • [Presentation] The Effect of Dimensionality on Long-Time Self-Diffusion in Hard Disks and Spheres2011

    • Author(s)
      Y. Terada and M. Tokuyama
    • Organizer
      XXIV Meeting of Science and Technology of Complex Fluids
    • Place of Presentation
      San Luis Potosí, Mexico
    • Year and Date
      2011-08-18
    • Related Report
      2013 Final Research Report
  • [Presentation] The Effect of Dimensionality on Long-Time Self-Diffusion in Hard Disks and Spheres2011

    • Author(s)
      Yayoi Terada* and Michio Tokuyama
    • Organizer
      XXIV Meeting of Science and Technology of Complex Fluids(招待講演)
    • Place of Presentation
      San Luis Potosi, Mexico
    • Related Report
      2011 Research-status Report
  • [Presentation] Effect of Size Polydispersity on Liquid-Glass Crossover, Liquid-Crystal Transition, and Gas-Liquid Transition of Lennard-Jones Fluids

    • Author(s)
      Y. Terada, T. Keyes, J. Kim, M. Tokuyama
    • Organizer
      The 4th International Symposium on Slow Dynamics in Complex Systems --- Keep Going Tohoku ---
    • Place of Presentation
      Sendai
    • Related Report
      2012 Research-status Report
  • [Presentation] Phase Behavior of Polydisperse Lennard-Jones System

    • Author(s)
      Y. Terada, T. Keyes, J. Kim, M. Tokuyama
    • Organizer
      The Seventh General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization
    • Place of Presentation
      Matsushima
    • Related Report
      2012 Research-status Report

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Published: 2011-08-05   Modified: 2019-07-29  

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