Stability of 〈100〉 dislocations formed in W collision cascades

Utkarsh Bhardwaj*, Andrea E. Sand, Manoj Warrier

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

3 Citations (Scopus)

Abstract

Experiments and simulations both have verified the presence of 〈100〉 dislocations in irradiated W. It is essential to know the properties and behavior of these defects to study the evolution of microstructures at higher scales. We study the thermal stability and transition mechanism of various 〈100〉 dislocations formed in a molecular dynamics (MD) database of 230 collision cascades using three different interatomic potentials. The activation energy to transition to more stable 〈111〉 dislocations is found for various 〈100〉 dislocation defects that transition within the 100 nanosecond time scale that is readily accessible to MD. The stability of 〈100〉 dislocations increases with size, but the trend is not strict. The reasons for irregularities are the aspects of internal configuration such as (i) the arrangement of 〈100〉 directed crowdions within the defect, (ii) the presence and arrangement of non-〈100〉 crowdions on the fringes of the defect. We show the typical pathways of transitions and discuss the sources of instability in the defect configurations. We also discuss the similarities and differences in stability found across different interatomic potentials. Understanding transition mechanisms and internal morphology gives insights into the stability of 〈100〉 dislocations, useful in higher scale models such as Kinetic Monte Carlo (KMC).

Original languageEnglish
Article number153938
Pages (from-to)1-9
Number of pages9
JournalJournal of Nuclear Materials
Volume569
DOIs
Publication statusPublished - Oct 2022
MoE publication typeA1 Journal article-refereed

Keywords

  • Collision cascades
  • Defect morphology
  • Molecular dynamics
  • Radiation damage
  • Stability of defects
  • 〈100〉 dislocations in crystal

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