Leibniz MMS Days 2023 - Abstract

Miller, Wolfram

A Kinetic Monte Carlo Tool for Computation of Epitaxial Processes Programmed in Julia

The programme language Julia combines the structure of python with high performance in computing. This allows to develop a concept with general modules like setting energies and performing the update of configurations. The general concept will be presented together with first examples for Si on Si(100) and AlN on AlN(0001). In both cases we use potential models for computing energies and diffusion barriers. In the case of silicon we use the Stillinger-Weber potential, for AlN the Tersoff potential.