Octree-search Kinetic Monte Carlo

We present a Kinetic Monte Carlo (KMC) method based on an octree data representation and search algorithm for the simulation of complex Micro Electro Mechanical Systems (MEMS) structures and, in general, complex, multi-valued surfaces propagating in 3D space. The experimental etch rate distribution for a wet etched spherical sample is correctly described and the propagation of the surface is in good agreement with the experiments for various applications. The algorithm leads to a faster tree-based search, efficient updating and good modeling ability for dynamic surfaces. Speedup factors of 3–4 over similar methods are obtained while the use of memory is reduced by 50–80% with respect to standard practice, with the factor increasing for larger simulations.