Chapter 14. Rapid Alloying in Binary Clusters: Microcluster As a Dynamic Material

  1. M. Toda3,
  2. T. Komatsuzaki4,
  3. T. Konishi5,
  4. R. S. Berry6 and
  5. S. A. Rice7
  1. Yasushi Shimizu1,
  2. Taizo Kobayashi1,
  3. Kensuke S. Ikeda1 and
  4. Shin'ichi Sawada2

Published Online: 27 JAN 2005

DOI: 10.1002/0471712531.ch14

Geometric Structures of Phase Space in Multidimensional Chaos: Applications to Chemical Reaction Dynamics in Complex Systems, Volume 130

Geometric Structures of Phase Space in Multidimensional Chaos: Applications to Chemical Reaction Dynamics in Complex Systems, Volume 130

How to Cite

Shimizu, Y., Kobayashi, T., Ikeda, K. S. and Sawada, S. (2005) Rapid Alloying in Binary Clusters: Microcluster As a Dynamic Material, in Geometric Structures of Phase Space in Multidimensional Chaos: Applications to Chemical Reaction Dynamics in Complex Systems, Volume 130 (eds M. Toda, T. Komatsuzaki, T. Konishi, R. S. Berry and S. A. Rice), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/0471712531.ch14

Editor Information

  1. 3

    Physics Department, Nara Women's University, Nara, 630-8506, Japan

  2. 4

    Nonlinear Science Laboratory, Department of Earth and Planetary Sciences, Faculty of Science, Kobe University, Nada, Kobe, 657-8501, Japan

  3. 5

    Department of Physics, Nagoya University, Nagoya, 464-8602, Japan

  4. 6

    Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, USA

  5. 7

    Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 USA

Author Information

  1. 1

    Department of Physical Sciences, Faculty of Science and Engineering, Ritsumeikan University, Kusatsu, 525-8577, Japan

  2. 2

    School of Science and Technology, Kwansei Gakuin University, Sanda 669-1337, Japan

Publication History

  1. Published Online: 27 JAN 2005
  2. Published Print: 21 JAN 2005

Book Series:

  1. Advances in Chemical Physics

Book Series Editors:

  1. Stuart A. Rice

Series Editor Information

  1. Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 USA

ISBN Information

Print ISBN: 9780471711582

Online ISBN: 9780471712534

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Keywords:

  • microcluster;
  • dynamics;
  • alloying;
  • reaction path;
  • fast diffusion

Summary

Dynamics of rapid alloying (RA) is investigated by isothermal molecular dynamics simulation using a simple Morse potential model. We verify that unusual aspects of RA are reproduced by a numerical simulation. In particular, the diffusive motion of the solute atoms is analyzed. By assuming Arrhenius-like law the activation energy are evaluated from the viewpoints of the surface diffusion and the radial diffusion. Some important elementary processes for the onset of RA are pointed out by comparing the activation energy and the saddle point energy which are obtained by numerical enumeration of the reaction paths on the multidimensional potential energy surface. We point out that, due to the presence of active surface, the microcluster is a dynamic material where fast mass-transport comes forward in long time scale, even though it exhibits the solid-like behavior.