Dislocation core structures of [100], [110] and [111] dislocations in
NiAl have been studied by molecular static calculations using an embed
ded atom potential. The response of dislocation cores to applied homog
eneous shear stresses is investigated and the Peierls stresses of stra
ight dislocations having edge, screw and mixed character is determined
. The results are in many details in excellent agreement with experime
ntal observations. The motion of dislocations in single crystals orien
ted for hard slip is discussed in a simple line-tension model. (C) 199
8 Acta Metallurgica Inc.