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Kinetic Monte Carlo Method to Model Diffusion Controlled Phase Transformations in the Solid State

  • Georges Martin
  • Frédéric Soisson

Abstract

The classical theories of diffusion-controlled transformations in the solid state (precipitate-nucleation, -growth, -coarsening, order-disorder transformation, domain growth) imply several kinetic coefficients: diffusion coefficients (for the solute to cluster into nuclei, or to move from smaller to larger precipitates…), transfer coefficients (for the solute to cross the interface in the case of interface-reaction controlled kinetics) and ordering kinetic coefficients. If we restrict to coherent phase transformations, i.e., transformations, which occur keeping the underlying lattice the same, all such events (diffusion, transfer, ordering) are nothing but jumps of atoms from site to site on the lattice. Recent progresses have made it possible to model, by various techniques, diffusion controlled phase transformations, in the solid state, starting from the jumps of atoms on the lattice. The purpose of the present chapter is to introduce one of the techniques, the Kinetic Monte Carlo method (KMC).

Keywords

Solute Atom Vacancy Concentration Face Center Cubic Kinetic Monte Carlo Jump Frequency 
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.

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Copyright information

© Springer 2005

Authors and Affiliations

  • Georges Martin
    • 1
  • Frédéric Soisson
    • 2
  1. 1.Commissariat à lÉnergie Atomique, Cab. H.C.Paris Cedex, 15France
  2. 2.CEA Saclay, DMN-SRMPGif-sur-YuetteFrance

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