The atomistic structure and energy of nascent dislocation loops

An harmonic lattice theory is used, in conjunction with Mura's theory of eigendistorsions, to study the structure and energetics of nascent dislocation loops in face-centred-cubic (FCC) crystals. An analytical expression for the activation energies of such loops is derived. The results obtained herein indicate that thermal activation of small dislocation loops is possible at high stress levels such as those found in the vicinity of a crack tip. The implications of these results in understanding phenomena such as the brittle-ductile transition are discussed.