Abstract

We present the geometrical and kinetic features of the Continuous Cellular Automaton (CCA) as an alternative method for the propagation of fronts using a scalar field instead of traditional velocity fields governing the direction and amount of advancement for the interface points. By comparing the features of the discrete and continuous cellular automata we stress the flexibility of the CCA approach, which makes possible the direct conversion of experimental macroscopic rates into calibrated microscopic parameters for realistic and reliable simulations. Using the example of anisotropic etching as a complex application we show that the method also enables the determination of atomistic activation energies for the microscopic process rates, thus simplifying additional calibrations at different temperatures. The experimental etch rate distribution for anisotropically etched spherical samples is correctly described and the orientation-dependence of the etch rate is properly reproduced for two typical, significantly different etchants. In addition, detailed comparisons between simulation and experiment for the time evolution in two different etchants and eight different mask patterns are provided.

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