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Cluster dynamics modelling of materials : advantages and limitations. |
Alain Barbu |
Centre d'Etudes Nucléaires de Saclay (CEA/SACLAY), no, Gif-sur-Yvette 91191, France |
Abstract |
In material science, cluster dynamics (CD) is based on kinetic equations describing the formation and evolution of clusters of solute atoms or point defects such as vacancies or self interstitial atoms (SIA). Whatever the efficiency of algorithms, CD that can be seen as a meso-scale modelling, cannot be replaced by Lattice Kinetic Monte Carlo method to address long time aging in many cases. Indeed, it is a very efficient method in term of computational cost. This efficiency is due to a drawback coming from the basic hypothesis of uniform distributions of clusters (a gaz of clusters): the real system is replaced by an effective medium in which all processes occur continuously in time and space. The spatial correlation between clusters is consequently not considered explicitly. |
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Presentation: Invited oral at E-MRS Fall Meeting 2006, Symposium H, by Alain BarbuSee On-line Journal of E-MRS Fall Meeting 2006 Submitted: 2006-05-17 07:26 Revised: 2009-06-07 00:44 |