Cluster Dynamics Modeling of Materials: Advantages and Limitations

Alain Barbu (1) , Emmanuel Clouet (1)

1 SRMP - Service de recherches de métallurgie physique

The aim of this paper is to give a short review on cluster dynamics modeling in the field of atoms and point defects clustering in materials. It is shown that this method, due to its low computer cost, can handle long term evolution that cannot, in many cases, be obtained by Lattice Kinetic Monte Carlo methods. Indeed, such a possibility is achieved thanks to an important drawback that is the loss of space correlations of the elements of the microstructures. Some examples, in the field of precipitation and irradiation of metallic materials are given. The limitations and difficulties of this method are also discussed. Unsurprisingly, it is shown that it goes in a very satisfactory way when the objects are distributed homogeneously. Conversely, the source term describing the primary damage under irradiation, by nature heterogeneous in space and time, is tricky to introduce especially when displacement cascades are produced.

Mots clés: cluster dynamics; rate theory; precipitation; point defect clusters; irradiation

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Alain Barbu, Emmanuel Clouet. Cluster Dynamics Modeling of Materials: Advantages and Limitations. Solid State Phenomena, 2007, 129, pp.51-58. ⟨hal-00171496⟩