Simulation of thermal ageing and radiation damage in Fe–Cr

Research output: Contribution to journalArticle

Authors

Institutes & Expert groups

Documents & links

Abstract

In recent years substantial progress has been made in the field of multi-scale modelling of radiation damage Fe–Cr alloy. Ab initio calculations have provided a description of point-defect properties for a large number of defect configurations. Empirical potentials for the alloy of EAM and 2nd moment tight binding type have been constructed that reproduce these formation energies, as well as the anomalous shift in sign of mixing enthalpy at a Cr concentration of about 10%. Applying the potentials in simulation of interstitial cluster transport, it has been found that cluster diffusion coefficients have shallow minima corresponding to experimentally measured minima in swelling rates of Fe–Cr alloys. Kinetic Monte Carlo simulation of thermal ageing further show that these potentials correctly reproduce the formation modes of the alpha-prime phase for Cr concentrations above 9%. The present paper is a review of methods used and results achieved within the last couple of years.

Details

Original languageEnglish
Pages (from-to)68-74
JournalNuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
Volume255
Issue number1
DOIs
Publication statusPublished - Feb 2007

Keywords

  • Multi-scale modelling, Radiation damage, Fe–Cr

ID: 202766