STEMsalabim: A high-performance computing cluster friendly code for scanning transmission electron microscopy image simulations of thin specimens

Jan Oliver Oelerich; Lennart Duschek; Jürgen Belz; Andreas Beyer; Sergei D Baranovskii; Kerstin Volz

doi:10.1016/j.ultramic.2017.03.010

STEMsalabim: A high-performance computing cluster friendly code for scanning transmission electron microscopy image simulations of thin specimens

Ultramicroscopy. 2017 Jun:177:91-96. doi: 10.1016/j.ultramic.2017.03.010. Epub 2017 Mar 10.

Authors

Jan Oliver Oelerich¹, Lennart Duschek², Jürgen Belz², Andreas Beyer², Sergei D Baranovskii², Kerstin Volz²

Affiliations

¹ Faculty of Physics and Material Sciences Center, Philipps-Universität Marburg, Germany. Electronic address: jan.oliver.oelerich@physik.uni-marburg.de.
² Faculty of Physics and Material Sciences Center, Philipps-Universität Marburg, Germany.

PMID: 28334576
DOI: 10.1016/j.ultramic.2017.03.010

Abstract

We present a new multislice code for the computer simulation of scanning transmission electron microscope (STEM) images based on the frozen lattice approximation. Unlike existing software packages, the code is optimized to perform well on highly parallelized computing clusters, combining distributed and shared memory architectures. This enables efficient calculation of large lateral scanning areas of the specimen within the frozen lattice approximation and fine-grained sweeps of parameter space.

Keywords: Electron scattering factors; MPI; Multislice simulations; Phonons.

Publication types

Research Support, Non-U.S. Gov't