PyNanospacing: TEM image processing tool for strain analysis and visualization

Abstract

The diverse spectrum of material characteristics including band gap, mechanical moduli, color, phonon and electronic density of states, along with catalytic and surface properties are intricately intertwined with the atomic structure and the corresponding interatomic bond-lengths. This interconnection extends to the manifestation of interplanar spacings within a crystalline lattice. Analysis of these interplanar spacings and the comprehension of any deviations, whether it be lattice compression or expansion, commonly referred to as strain, hold paramount significance in unraveling various unknowns within the field. Transmission Electron Microscopy (TEM) is widely used to capture atomic-scale ordering, facilitating direct investigation of interplanar spacings. However, creating critical contour maps for visualizing and interpreting lattice stresses in TEM images remains a challenging task. Here we developed a Python code for TEM image processing that can handle a wide range of materials including nanoparticles, 2D materials, pure crystals and solid solutions. This algorithm converts local differences in interplanar spacings into contour maps allowing for a visual representation of lattice expansion and compression. The tool is very generic and can significantly aid in analyzing material properties using TEM images, allowing for a more in-depth exploration of the underlying science behind strain engineering via strain contour maps at the atomic level.

Preprint, 13 pages, 9 figures