Comparison of SIA defect morphologies from different interatomic potentials for collision cascades in W

Utkarsh Bhardwaj*, Andrea E. Sand, Manoj Warrier

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

Abstract

The morphology of defects formed in collision cascades is an essential aspect of the subsequent evolution of the microstructure. The morphological composition of a defect decides its stability, interaction, and migration properties. We compare the defect morphologies in the primary radiation damage caused by high energy collision cascades simulated using three different interatomic potentials in W. An automated method to identify morphologies of defects is used. While most defects form 1/2〈111〉 dislocation loops, other specific morphologies include 〈100〉 dislocation loops, multiple loops clustered together, rings corresponding to C15 configuration and its constituent structures, and a combination of rings and dislocations. The analysis quantifies the distribution of defects among different morphologies and the size distribution of each morphology. We show that the disagreement between predictions of the different potentials regarding defect morphology is much stronger than the differences in predicted defect numbers.

Original languageEnglish
Article number065015
Number of pages13
JournalModelling and Simulation in Materials Science and Engineering
Volume29
Issue number6
DOIs
Publication statusPublished - Sep 2021
MoE publication typeA1 Journal article-refereed

Keywords

  • Cluster shapes
  • Collision cascades
  • Defect morphology
  • Interatomic potentials
  • Molecular dynamics
  • Radiatioin damage

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