Dislocation and grain-boundary melting were studied in three dimensions by using the phase field crystal method. Isolated dislocations were found to melt radially outwards from their core, as the localized excess elastic energy drove a power-law divergence in the melt radius. Dislocations within low-angle to intermediate-angle grain boundaries melted similarly until an angle-dependent first-order wetting transition occurred when neighbouring melted regions coalesced. High-angle boundaries were treated within a screening approximation, and issues related to ensembles, metastability and grain size were considered.

Melting at Dislocations and Grain Boundaries - a Phase Field Crystal Study. J.Berry, K.R.Elder, M.Grant: Physical Review B, 2008, 77[22], 224114