Abstract
Energetic atoms which have been knocked off their lattice sites by neutron or ion irradiation leave a trail of vacancies and interstitials in their wake. Most of these defects recombine with their opposites within their own collision cascade. Some fraction, however, escape to become freely migrating defects (FMD) in the bulk of the material. The interaction of FMD with the microstructure has long been linked to changes in the macroscopic properties of materials under irradiation. We calculate the fraction of FMD in pure vanadium for a wide range of temperatures and primary knock-on atom (PKA) energies. The collision cascade database is obtained from molecular dynamics (MD) simulations with an embedded atom method (EAM) potential. The actual FMD calculation is carried out by a kinetic Monte Carlo (kMC) code with a set of parameters extracted either from the experimental literature or from MD simulations. We take two different approaches to the problem and compare them. The first consists of an idealized simulation for single cascades. Annealing each cascade at different temperatures allows the mobile species to escape and account for FMD. The second analyzes bulk diffusion and damage.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
