Atomistic modelling of strain relaxation in heteroepitaxial growth

In an epitaxial thin films, the lattice properties of the film are determined by those of the underlying substrate. A mismatch between the lattice spacing of the substrate and film will introduce a strain into the film, which can significantly influence the material structure and properties. Similar effects occur in other geometries, such as layered nanocrystals and nanowires, in which lattice mismatch between the core and shell can induce strain between them. This talk describes analysis and computation for strain in an epitaxial systems with harmonic interatomic potentials and intrinsic surface stress. The resulting force field and energy density can significantly effect the geometric and material properties of the system. Applications will be described for quantum dots, layered nanocrystals and nanowires.