Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe

Research output: Contribution to journalArticlepeer-review

Authors

  • Lorenzo Malerba
  • Napoleon Anento
  • J.P. Balbuena
  • C. S. Becquart
  • Nicolas Castin
  • Maria José Caturla
  • Christophe Domain
  • C. Guerrero
  • C.J. Ortiz
  • B. Pannier
  • Anna Serra

Institutes & Expert groups

  • CIEMAT - Centro de Investigaciones Energéticas, Medioambientales y Tecnológicas
  • Université de Lille - Unite Materiaux et Transformations (UMET)
  • University of Alicante
  • UPC - Universitat Politècnica de Catalunya
  • EDF - Electricité de France

Documents & links

Abstract

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.

Details

Original languageEnglish
Article number101069
Pages (from-to)1-27
Number of pages27
JournalNuclear Materials and Energy
Volume29
DOIs
Publication statusPublished - 2021

Keywords

  • Microstructure evolution, Irradiation, Iron, Defect properties, Overview

ID: 7487938