From crystal steps to continuum laws: Behavior near large facets in one dimension

The passage from discrete schemes for surface line defects (steps) to nonlinear macroscopic laws for crystals is studied via formal asymptotics in one space dimension. Our goal is to illustrate by explicit computations the emergence from step motion laws of continuum-scale power series expansions for the slope near the edges of large, flat surface regions (facets). We consider surface diffusion kinetics via the Burton, Cabrera and Frank (BCF) model by which adsorbed atoms diffuse on terraces and attach–detach at steps. Nearest-neighbor step interactions are included. The setting is a monotone train of N steps separating two semi-infinite facets at fixed heights. We show how boundary conditions for the continuum slope and flux, and expansions in the height variable near facets, may emerge from the algebraic structure of discrete schemes as N → ∞. Our technique relies on the use of self-similar discrete slopes, conversion of discrete schemes to sumequations, and their reduction to nonlinear integral equations for the continuum-scale slope. Approximate solutions to the continuum equations near facet edges are constructed formally by direct iterations. For elastic-dipole andmultipole step interactions, the continuum slope is found in agreement with a previous hypothesis of ‘local equilibrium’. © 2011 Elsevier B.V. All rights reserved.