Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe
Résumé
This paper is the first of three that overview the main mechanisms that drive the microstructure evolution in Fe
alloys under irradiation. It focuses on pure α-Fe and compiles the parameters that describe quantitatively the
mobility and stability of point-defects and especially their clusters, including possible reactions and criteria to
decide when they should react. These parameters are the result of several years of calculations and application in
microstructure evolution models. They are mainly collected from the literature and the parameter choice tries to
reconcile different sets of values that, while being in general qualitatively similar, are often quantitatively not
coincident. A few calculation results are presented here for the first time to support specific approximations
concerning defect properties or features. Since calculations cannot cover all possible defect configurations, the
definition of these parameters often requires educated guesses to fill knowledge gaps. These guesses are here
listed and discussed whenever relevant. This is therefore a “hands-on” paper that: (i) collects in a single report
most microstructure evolution parameters that are found in the literature for irradiated α-Fe, including a discussion
of the most important mechanisms at play based on current knowledge; (ii) selects a ready-to-use set that
can be employed in microstructure evolution models, such as those based on object kinetic Monte Carlo (OKMC)
methods. This work also identifies parameters that are needed, but not known, hopefully prompting corresponding
calculations in the future.
Origine : Fichiers éditeurs autorisés sur une archive ouverte