Grain-boundary melting: A Monte Carlo study

Grain-boundary melting in a lattice-gas model of a bicrystal is studied by Monte Carlo simulation using the grand canonical ensemble. Well below the bulk melting temperature ${\mathit{T}}_{\mathit{m}}$, a disordered liquidlike layer gradually emerges at the grain boundary. Complete interfacial wetting can be observed when the temperature approaches ${\mathit{T}}_{\mathit{m}}$ from below. Monte Carlo data over an extended temperature range indicate a logarithmic divergence w(T)∼-ln(${\mathit{T}}_{\mathit{m}}$-T) of the width of the disordered layer w, in agreement with mean-field theory.