Simple example code demonstrating how to simulate strongly anisotropic surface self diffusion and solid-state dewetting.
The code in this repository is a simple, self-contained example of the simulations described in [1]. This example code demonstrates the solid-state dewetting of a small rectangular prism to the equilibrium shape dictated by Nickel-like surface energy anisotropy. The evolution is mediated by surface-self-diffusion with anisotropic diffusivity. The HDF5 files included in this repository store look-up tables which encode the anisotropic surface energy and diffusivity. The surface energy values are based on those given in Crystalium, as calculated in [2].
This example is designed to run on a laptop in a few hours. It therefore uses a small simulation volume and is somewhat low resolution.
If you use the code or techniques presented here, please cite both this Github repository and [1].
[1] M.A. L’Etoile, C.V. Thompson, W.C. Carter, A level-set method for simulating solid-state dewetting in systems with strong crystalline anisotropy, Acta Materialia 282 (2025) 120368. https://doi.org/10.1016/j.actamat.2024.120368.
[2] R. Tran, Z. Xu, B. Radhakrishnan, D. Winston, W. Sun, K.A. Persson, S.P. Ong, Surface energies of elemental crystals, Sci Data 3 (2016) 160080. https://doi.org/10.1038/sdata.2016.80.