The habit plane of 〈a〉-type dislocation loops in α-zirconium: an atomistic study

Cong Dai, L. Balogh, Zhongwen Yao, Mark R. Daymond

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We use both a model of dislocation energy and molecular dynamics (MD) simulations to explore the habit planes of 〈a〉-type dislocation loops, while cascade simulations are produced to investigate the effect of irradiation on those loops. Vacancy and interstitial loops are artificially created on perfect prism planes in MD, and they reorient to their preferred habit planes during a relaxation stage. The statistics presented in stereographic projections show that the preferred habit planes are close to the prism plane (Formula presented.), consistent with experimental data from the literature. We also confirm that the angle between the Burgers vector and the loop’s plane is a useful parameter when identifying the stability of 〈a〉-type dislocation loops.

Original languageEnglish
Pages (from-to)944-956
Number of pages13
JournalPhilosophical Magazine
Volume97
Issue number12
DOIs
Publication statusPublished - Apr 23 2017

Keywords

  • Dislocations
  • modelling
  • molecular dynamic simulations
  • nuclear materials

ASJC Scopus subject areas

  • Condensed Matter Physics

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