| Abstract |
IMaterials under irradiation accumulate atomic
scale damage that alters their microstructure,
eventually degrading their material properties,
especially mechanical integrity. Although the
underlying individual mechanisms of radiation
damage are well understood, the ability to
predict the collective behavior of these
mechanisms is still a major challenge. This talk
will give a brief overview of computational
approaches and challenges to accurately modeling
radiation effects in materials, with a particular
focus on atomistic modeling techniques. The case
of predicting the thermodynamics and kinetics of
multicomponent alloy systems from quantum
mechanical ab initio methods will be discussed in
some detail.
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