The effect of interstitial N on grain boundary cohesive strength in Fe

Miyoung Kim*, Clint B. Geller, A. J. Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

33 Scopus citations

Abstract

The effect of interstitial N on the cohesion of an Fe Σ3[110](111) grain boundary (GB) was investigated by ab-initio electronic structure calculations to reveal that free interstitial N produces a large strengthening energy, reduces the magnetic moments of the GB Fe atoms and is embrittling at the GB's.

Original languageEnglish (US)
Pages (from-to)1341-1343
Number of pages3
JournalScripta Materialia
Volume50
Issue number10
DOIs
StatePublished - May 2004

Keywords

  • Ab-initio calculation
  • Composition Fe steel
  • Embrittlement
  • FLAPW
  • Grain boundaries

ASJC Scopus subject areas

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

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