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Geometric Structure of Multi-dimensional Chaos and Its Application to Reactions in Non-equilibrium

Research Project

Project/Area Number 16340113
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Mathematical physics/Fundamental condensed matter physics
Research InstitutionNara Women's University

Principal Investigator

TODA Mikito  Nara Women's University, Faculty of Science, Associate Professor (70197896)

Co-Investigator(Kenkyū-buntansha) KOMATSUAZKI Tamiki  Kobe University, Faculty of Science, Associate Professor (30270549)
Project Period (FY) 2004 – 2006
Project Status Completed (Fiscal Year 2006)
Budget Amount *help
¥15,900,000 (Direct Cost: ¥15,900,000)
Fiscal Year 2006: ¥3,800,000 (Direct Cost: ¥3,800,000)
Fiscal Year 2005: ¥4,300,000 (Direct Cost: ¥4,300,000)
Fiscal Year 2004: ¥7,800,000 (Direct Cost: ¥7,800,000)
KeywordsDynamical Systems / Chaos / Statistical Physics / Chemical Reactions / Non-equilibrium / Geometric Structures / Complex Systems / Invariant manifolds / カオス / 力学系 / ウエーブレット / 非平衡非定常 / 時系列解析 / 生体分子機能 / 統計的反応論 / アーノルドの網の目 / 1 / f / レート方程式 / 非平衡 / 非足常 / 非線形 / たん白質
Research Abstract

We have formulated the dynamical theory of reactions based on the concept of normally hyperbolic invariant manifolds (NHIMs). This enables us to obtain a mathematically firm foundation of the concept of "transition states" in reaction processes. Moreover, it offers a possibility of going over the conventional ideas of reactions. The first is the possibility of breakdown of the normal hyperbolicity caused by chaos on the NHIM. Note that normal hyperbilicity means that instability along the normal directions is larger than that along the tangential directions. However, when chaos on the NHIM becomes comparable to the instability along the normal directions, the normal hyperbolicity is at the edge of breaking down. We have constructed a model system where this phenomenon can be analyzed using the Lie transformation and Pade summation. The breakdown means, in the context of reactions, that a new set of degrees of freedom start to contribute collective degrees of freedom describing reactions. This opens a new horizon in studying the reaction processes. The second achievement is to indicate that a power-law behavior is observed when the dynamics in the potential well is non-ergodic. We have constructed a model where the Arnold web in the well is sparse and non-uniform. The distribution of residence times exhibit a power-law properties and the dynamics in the well show anomalous diffusion. These phenomena indicate that the traditional concept of the reaction rate constat does not exists any more. The above two aspects of the reaction processes indicate that the dynamical theory of reactions offer a new possibility of understanding reactions.

Report

(4 results)
  • 2006 Annual Research Report   Final Research Report Summary
  • 2005 Annual Research Report
  • 2004 Annual Research Report
  • Research Products

    (26 results)

All 2008 2007 2006 2005 Other

All Journal Article (24 results) Book (2 results)

  • [Journal Article] Foundation and Limitations of Statistical Reaction Theory2008

    • Author(s)
      Shojiguchi, Li, Komatsuzaki, Toda
    • Journal Title

      Communications in Nonlinear Science and Numerical Simulation 13

      Pages: 857-867

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Foundation and Limitations of Statistical Reaction Theory2008

    • Author(s)
      Shoujiguchi, Li, Komatsuzaki, Toda
    • Journal Title

      Communications in Nonlinear Science and Numerical Simulation 13

      Pages: 857-867

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Fractional Behavior in Nonergodic reaction Processes of Isomerization2007

    • Author(s)
      Shoujiguchi, Li, Komatsuzaki, Toda
    • Journal Title

      Physical Review E 75

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Dimension Reduction for Extracting Geometrical Structure of Multidimensional Phase Space: Application to Fast Energy Exchange in the Reaction O(1D)+N2O→NO+NO2007

    • Author(s)
      Kawai, Fujimura, Kajimoto, Yamashita, Li, Komatsuzaki, Toda
    • Journal Title

      Physical Review A 75

    • NAID

      120000896098

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Fractional Behavior in Multi-dimensional Hamiltonian Systems Describing Reactions2007

    • Author(s)
      Shojiguchi, Li, Komatsuzaki, Toda
    • Journal Title

      Phys. Rev. E 75

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Fractional Behavior in Nonergodic reaction Processes of Isomerization2007

    • Author(s)
      Shouj iguchi, Li, Komatsuzaki, Toda
    • Journal Title

      Phys. Rev. E 75

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Dimension Reduction for Extracting Geometrical Structure of Multidimensional Phase Space : Application to Fast Energy Exchange in the Reaction 0(1D)+N20-> NO+NO2007

    • Author(s)
      Kawai, Fujimura, Kajimoto, Yamashi ta, Li, Komatsuzaki, Toda
    • Journal Title

      Phys. Rev. A 75

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Fractional Behavior in Multi-dimensional Hamiltonian Systems Describing Reactions2007

    • Author(s)
      Shoujiguchi, Li, Komatsuzaki, Toda
    • Journal Title

      Phys. Rev. E 75

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Dimension Reduction for Extracting Geometrical Structure of Multidimensional Phase Space : Application to Fast Energy Exchange in the Reaction O(1D)+N2O -> NO + NO2007

    • Author(s)
      Kawai, Fujimura, Kajimoto, Yamashita, Li, Komatsuzaki, Toda
    • Journal Title

      Physical Review A 75

    • NAID

      120000896098

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Universality in Dynamical Formation of Entanglement in Quantum Chaos2006

    • Author(s)
      Kubotani, Toda, Adachi
    • Journal Title

      Physical Review A 74

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Annual Research Report 2006 Final Research Report Summary
  • [Journal Article] Definability of no-return transition states in high energy regime above reaction threshold2006

    • Author(s)
      Li, Shojiguchi, Toda, Komatsuzaki
    • Journal Title

      Physical Review Letters 97

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Annual Research Report 2006 Final Research Report Summary
  • [Journal Article] Dynamical Hierarchy in Transition States of Reactions2006

    • Author(s)
      Li, Shojiguchi, Toda, Komatsuzaki
    • Journal Title

      Few Body Systems 38

      Pages: 173-179

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Annual Research Report 2006 Final Research Report Summary
  • [Journal Article] Wavelet Analysis and Arnold Web Picture for Detecting Energy Transfer in Hamiltonian Dynamical System2006

    • Author(s)
      Shojiguchi, Baba, Li, Komatsuzaki, Toda
    • Journal Title

      Laser Physics 16

      Pages: 1097-1106

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Universality in Dynamical Formation of Entanglement in Quantum Chaos2006

    • Author(s)
      Kubotani, Toda, Adachi
    • Journal Title

      Phys. Rev. A74

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Definability of no-return transition states in high energy regime above reaction threshold2006

    • Author(s)
      Li, Shojiguchi, Toda, Komatsuzaki
    • Journal Title

      Phys. Rev. Lett. 97

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Wavelet Analysis and Arnold Web Picture for Detecting Energy Transfer in Hamiltonian Dynamical System2006

    • Author(s)
      Shoujiguchi, Baba, Li, Komatsuzaki, Toda
    • Journal Title

      Laser Physics 16

      Pages: 1097-1106

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Wavelet Analysis and Arnold Web Picture for Detecting Energy Transfer in a Hamiltonian Dynamical System2006

    • Author(s)
      Shojiguchi, Li, Koinatsuzaki, Toda
    • Journal Title

      Laser Physics 17

      Pages: 1097-1106

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Phase Space Reaction Network on a Multisaddle Energy Landscape2005

    • Author(s)
      Chun-Biu Li, Y.Matsunaga, M.Toda, T.Komatsuzaki
    • Journal Title

      Journal of Chemical Physics 123

      Pages: 184301-184301

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Wavelet Analysis and Arnold Web Picture for Detecting Energy Transfer in Hamiltonian Dynamical System2005

    • Author(s)
      A.Shojiguchi, A.Baba, T.Komatsuzaki, M.Toda
    • Journal Title

      Laser Physics (in press)

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Dynamical Hierarchy in Transition States of Reactions2005

    • Author(s)
      Chun Biu Li, A.Shojiguchi, M.Toda, T.Komatsuzaki
    • Journal Title

      Few body Systems (in press)

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Global Aspects of Chemical Reactions in Multidimensional Phase Space2005

    • Author(s)
      M.Toda
    • Journal Title

      Adv.Chem.Phys. 130A

      Pages: 337-337

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Global Aspects of Chemical Reactions in mule dimeusional Phose space2005

    • Author(s)
      M.Toda
    • Journal Title

      Advances in chemical Physics 130

      Pages: 337-400

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Fractional Behavior in Nonergodic reaction Processes of Isomerization

    • Author(s)
      Shoujiguchi, Li, Komatsuzaki, Toda
    • Journal Title

      Physical Review E Accepted

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Foundation and Limitations of Statistical Reaction Theory

    • Author(s)
      Shojiguchi, Li, Komatsuzaki, Toda
    • Journal Title

      Communications in Nonlinear Science and Numerical Simulation Accepted

    • Related Report
      2006 Annual Research Report
  • [Book] Geometrics Structures of Phase in Multidimentional Chaos2005

    • Author(s)
      M.Toda, T.Komatsuzaki 他編集
    • Total Pages
      1224
    • Publisher
      Elsevier
    • Related Report
      2005 Annual Research Report
  • [Book] Geometive Structures of Phase Space in multidimensional Chaos2005

    • Author(s)
      M.Toda 他4名編集
    • Total Pages
      1224
    • Publisher
      Wiley
    • Related Report
      2004 Annual Research Report

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Published: 2004-04-01   Modified: 2016-04-21  

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