Computer Simulation of Diffusion and Reaction in Metallic Nanoparticles

  • A. V. Evteev
  • E. V. Levchenko
  • I. V. Belova
  • G. E. Murch
Part of the Advanced Structured Materials book series (STRUCTMAT, volume 4)


In this chapter, we review the understanding that has been gained by the simulation methods of kinetic Monte Carlo and molecular dynamics of solid state diffusion in nanoparticles. We discuss the simulation of the formation and subsequent shrinkage by diffusion of hollow nanoparticles, the formation by diffusion of segregated bi-metallic nanoparticles and the diffusion with reaction to form intermetallic nanoparticles.


Kinetic Monte Carlo Hollow Nanosphere Shockley Partial Dislocation Kinetic Monte Carlo Simulation Solid State Amorphization 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.



We acknowledge support from the Australian Research Council under the Discovery Grants Scheme. One of us (E.V.L.) wishes to thank the University of Newcastle for the award of a University Fellowship.


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Copyright information

© Springer-Verlag Berlin Heidelberg 2012

Authors and Affiliations

  • A. V. Evteev
    • 1
  • E. V. Levchenko
    • 1
  • I. V. Belova
    • 1
  • G. E. Murch
    • 1
  1. 1.University Centre for Mass and Thermal Transport in Engineering Materials, Priority Research Centre for Geotechnical and Materials Modelling, School of EngineeringThe University of NewcastleCallaghanAustralia

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