A regularized phase-field model for faceting in a kinetically controlled crystal growth: Faceting in crystal growth

At equilibrium, the shape of a strongly anisotropic crystal exhibits corners when for some orientations the surface stiffness is negative. In the sharp-interface problem, the surface free energy is traditionally augmented with a curvature-dependent term in order to round the corners and regularize the dynamic equations that describe the motion of such interfaces. In this paper, we adopt a diffuse interface description and present a phase-field model for strongly anisotropic crystals that is regularized using an approximation of the Willmore energy. The Allen-Cahn equation is employed to model kinetically controlled crystal growth. Using the method of matched asymptotic expansions, it is shown that the model converges to the sharp-interface theory proposed by Herring. Then, the stress tensor is used to derive the force acting on the diffuse interface and to examine the properties of a corner at equilibrium. Finally, the coarsening dynamics of the faceting instability during growth is investigated. Phase-field simulations reveal the existence of a parabolic regime, with the mean facet length evolving in t, with t the time, as predicted by the sharp-interface theory. A specific coarsening mechanism is observed: a hill disappears as the two neighbouring valleys merge.