Defect and solute properties in dilute Fe-Cr-Ni austenitic alloys from   first principles
  We present results of an extensive set of first-principles density functional theory calculations of point defect formation, binding and clustering energies in austenitic Fe with dilute concentrations of Cr and Ni solutes. 
T. P. C. Klaver, D. J. Hepburn and G. J. Ackland
cond-mat.mtrl-sci