Size dependence of interfacial energies and equilibrium shapes of crystals in 3D

Here are a couple of interesting papers accepted for publication in Scripta Materialia (Articles in Press):

[1] Size dependence of the interfacial energy in the generalized nearest-neighbor broken-bond approach

B Sonderegger and E Kozeschnik

The generalized nearest-neighbor broken-bond (NNBB) approach provides a powerful means of calculating the interfacial energies between two arbitrary multicomponent phases. Conceptually, the NNBB has been developed for planar, sharp interfaces, but this is inappropriate for small precipitates characterized by high interface curvature. In the present work, a size-correction expression is derived that takes this effect into account. Comparison with treatments based on thermodynamic considerations shows good consistency with the present approach.

[2] An analytic solution for three-dimensional axisymmetric equilibrium crystal shapes

P Du and H Wong

A surface free energy polar plot contains two possible sources of singularity: the cusps that give facets on an equilibrium crystal, and the circular arcs connecting the cusps that can lead to missing orientations. Instead of specifying surface free energy, we model the surface stiffness so that both singularities can be treated precisely. Here, we apply our model to three-dimensional axisymmetric crystals and obtain for the first time an analytic solution to the nonlinear differential equation governing the crystal shape.

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