Energy investigation of effects of O on mechanical properties of NiAl intermetallics

J Phys Condens Matter. 2011 Jan 19;23(2):025501. doi: 10.1088/0953-8984/23/2/025501. Epub 2010 Dec 13.

Abstract

We have investigated effects of O on mechanical properties of NiAl by calculating the cleavage energy (γ(C)) and the unstable stacking fault energy (γ(us)) using a first-principles method. O is shown to reduce γ(C)/γ(us) for the [001](110) and [100](001) slip systems, indicating that the presence of O should be associated with the ductility reduction of NiAl. Further, γ(C)/γ(us) of the NiAl-O system can be increased by Cr, suggesting the possibility to suppress the negative effect of O via alloying elements.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alloys / chemistry
  • Aluminum Compounds / chemistry*
  • Nickel / chemistry*
  • Oxygen / chemistry*

Substances

  • Alloys
  • Aluminum Compounds
  • Nickel
  • Oxygen