Welcome! We simulated epitaxial growth as used in the semiconductor industry. An off-lattice Kinetic Monte Carlo model was used.
View our code on GitHub.
Abstract: The behavior of up to 30 atoms on a substrate was simulated using off-lattice Kinetic Monte Carlo in both homo- and heteroepitaxy. Several expected phenomena were observed, including vacancy and dislocation formation. A lattice misfit of 18.5% was used to simulate deposition of silver onto copper; this produced the expected Volmer-Weber growth mode. This model is extendable to larger systems, but adjustments must be made to our implementation of the conjugate gradient algorithm. Such adjustments would allow simulation of Frank-van der Merwe and Stranski-Krastanov growth modes.
These are some of our more interesting results. On the left is a dislocation that formed during heteroepitaxy of silver onto copper. On the right is a vacancy that formed during homoepitaxy.
It wouldn't be a website without some animated GIFs.