Cleavage fracture in Ti3SiC2 from first-principles

N. I. Medvedeva, A. J. Freeman

Research output: Contribution to journalArticle

28 Citations (Scopus)


Using ab initio full-potential linearized plane wave calculations, we studied the cleavage characteristics for three basal planes in Ti3SiC2 and found that the habit cleavage should be between the Ti and Si hexagonal layers. The estimations of fracture properties under tensile stress showed a significant stretching of the Ti-Si bonds before failure that may explain the damage tolerance of Ti3SiC2.

Original languageEnglish
Pages (from-to)671-674
Number of pages4
JournalScripta Materialia
Issue number8
Publication statusPublished - Apr 1 2008


  • First-principle electron theory
  • Fracture
  • Transition metal silicides

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys

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