pycotem: An open source toolbox for online crystal defect characterization from TEM imaging and diffraction.

We present a series of tools working together that facilitate the determination of dislocation Burgers vectors and slip planes, interface plane normals and misorientation between two crystals from a series of Transmission Electron Microscopy (TEM) micrographs and diffraction patterns. To that purpose, we developed graphical user interface programs that allow crystal orientation determination from spot diffraction patterns taken at various tilt angles or from Kikuchi patterns crystal representation from stereographic projection plots and determination of geometrical features from series of conventional images taken at different tilt angles. We present working examples that allow a faster and easier way to analyse data that can especially be retrieved during in situ straining experiments where dislocations and grain boundaries need to be characterized. More generally, these tools target material scientists interested in daily microstructural characterization in TEM.

A general and robust analytical method for interface normal determination in TEM.

This paper presents a new analytical method to determine interface normals from a series of bright/dark field images taken from arbitrary orientations. This approach, based on a general geometrical model of interface projection, provides a generalized formulation of existing methods. It can treat an excessive number of inputs, i.e. orientation conditions. Given 6 or more sets of inputs, even with considerable experimental errors, we prove that this method is still very likely to yield results with satisfactory accuracy. The robustness of the method can thus allow its implementation in problems dealing with a large amount of data. We show that this method can also be applied to determine 1D features or to check the planarity of microstructural features.

3D nanostructural characterisation of grain boundaries in atom probe data utilising machine learning methods.

Boosting is a family of supervised learning algorithm that convert a set of weak learners into a single strong one. It is popular in the field of object tracking, where its main purpose is to extract the position, motion, and trajectory from various features of interest within a sequence of video frames. A scientific application explored in this study is to combine the boosting tracker and the Hough transformation, followed by principal component analysis, to extract the location and trace of grain boundaries within atom probe data. Before the implementation of this method, these information could only be extracted manually, which is time-consuming and error-prone. The effectiveness of this method is demonstrated on an experimental dataset obtained from a pure aluminum bi-crystal and validated on simulated data. The information gained from this method can be combined with crystallographic information directly contained within the data, to fully define the grain boundary character to its 5 degrees of freedom at near-atomic resolution in three dimensions. It also enables local atomic compositional and geometric information, i.e. curvature, to be extracted directly at the interface.

Atomic scale analyses of {\bb Z}-module defects in an NiZr alloy.

Some specific structures of intermetallic alloys, like approximants of quasicrystals, have their unit cells and most of their atoms located on a periodic fraction of the nodes of a unique {\bb Z}-module [a set of the irrational projections of the nodes of a (N > 3-dimensional) lattice]. Those hidden internal symmetries generate possible new kinds of defects like coherent twins, translation defects and so-called module dislocations that have already been discussed elsewhere [Quiquandon et al. (2016). Acta Cryst. A72, 55-61; Sirindil et al. (2017). Acta Cryst. A73, 427-437]. Presented here are electron microscopy observations of the orthorhombic phase NiZr - and its low-temperature monoclinic variant - which reveal the existence of such defects based on the underlying {\bb Z}-module generated by the five vertices of the regular pentagon. New high-resolution electron microscopy (HREM) and scanning transmission electron microscopy high-angle annular dark-field (STEM-HAADF) observations demonstrate the agreement between the geometrical description of the structure in five dimensions and the experimental observations of fivefold twins and translation defects.

Highly ordered noncrystalline metallic phase.

We report the characterization of a unique metallic glass that, during rapid cooling of an Al-Fe-Si melt, forms by nucleation, followed by growth normal to a moving interface between the solid and melt with partitioning of the chemical elements. We determine experimentally that this is not a polycrystalline composite with nanometer-sized grains, and conclude that this may be a new kind of structure: an atomically ordered, isotropic, noncrystalline solid, possessing no long-range translational symmetry.