Modelling diffusion-controlled kinetics in equilibrium and driven alloys

G. Martin, P. Bellon, F. Soisson

Research output: Contribution to journalArticlepeer-review


We introduce a very simple model for thermally activated atomic migration on a lattice, and several techniques to handle it. For thermodynamical systems, the model can be used for simulating decomposition paths taking into account relevant metallurgical features. Close to equilibrium, the simplest mean-field approximation of the model can be linearized with respect to the departure from equilibrium; one then gets a microscopic interpretation of classical phenomenological coefficients, such as mobility, interfacial transfer coefficient, rate constants for the coupled relaxation of concentration and order fields. Further away from the equilibrium, the nonlinearities can be taken into account in a consistent way. For driven alloys, i.e. alloys submitted to external forcing, forced atomic migration is added to the model and new features emerge: the model is supported by several experimental results some of which confirmed its predictions a posteriori.

Original languageEnglish (US)
Pages (from-to)187-209
Number of pages23
JournalJournal of Computer-Aided Materials Design
Issue number1-3
StatePublished - 1996
Externally publishedYes


  • Domain growth
  • Fe-Al
  • Fe-Cu
  • Kinetic mean-field approximation
  • Kinetic Monte Carlo technique
  • Ni-Al
  • Ordering
  • Precipitation
  • Vacancy jumps

ASJC Scopus subject areas

  • Computational Theory and Mathematics
  • Computer Science Applications
  • General Materials Science


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