Analytic Formulas for the Orientation Dependence of Step Stiffness and Line Tension: Key Ingredients for Numerical Modeling

Details Analytic Formulas for the Orientation Dependence of Step Stiffness and Line Tension: Key Ingredients for Numerical Modeling Analytic Formulas for the Orientation Dependence of Step Stiffness and Line Tension: Key Ingredients for Numerical Modeling

2006-09-11

arxiv.org/abs/cond-mat/0609237v2

Multiscale Model. Simul. 6, 90-100 (2007)

Physics

Condensed Matter

Statistical Mechanics

10 pages; reformatted with revtex (with typos corrected) from version accepted by SIAM--Multiscale Modeling and Simulation on

Scientific paper

10.1137/060662861

We present explicit analytic, twice-differentiable expressions for the temperature-dependent anisotropic step line tension and step stiffness for the two principal surfaces of face-centered-cubic crystals, the square {001} and the hexagonal {111}. These expressions improve on simple expressions that are valid only for low temperatures and away from singular orientations. They are well suited for implementation into numerical methods such as finite-element simulation of step evolution.

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