STEM image simulation with hybrid CPU/GPU programming

STEM image simulation is achieved via hybrid CPU/GPU programming under parallel algorithm architecture to speed up calculation on a personal computer (PC). To utilize the calculation power of a PC fully, the simulation is performed using the GPU core and multi-CPU cores at the same time to significantly improve efficiency. GaSb and an artificial GaSb/InAs interface with atom diffusion have been used to verify the computation. - Highlights: • STEM image simulation is achieved by hybrid CPU/GPU programming under parallel algorithm architecture to speed up the calculation in the personal computer (PC). • In order to fully utilize the calculation power of the PC, the simulation is performed by GPU core and multi-CPU cores at the same time so efficiency is improved significantly. • GaSb and artificial GaSb/InAs interface with atom diffusion have been used to verify the computation. The results reveal some unintuitive phenomena about the contrast variation with the atom numbers.