A reliable and user-friendly characterisation of nano-objects in a target material is presented here in the form of a software data analysis package for interpreting small-angle X-ray scattering (SAXS) patterns. When provided with data on absolute sc
ale with reasonable uncertainty estimates, the software outputs (size) distributions in absolute volume fractions complete with uncertainty estimates and minimum evidence limits, and outputs all distribution modes of a user definable range of one or more model parameters. A multitude of models are included, including prolate and oblate nanoparticles, core-shell objects, polymer models (Gaussian chain and Kholodenko worm) and a model for densely packed spheres (using the LMA-PY approximations). The McSAS software can furthermore be integrated as part of an automated reduction and analysis procedure in laboratory instruments or at synchrotron beamlines.
Microstructural analysis of a Mg-Zn alloy deformed at room temperature by high-pressure torsion (HPT) indicates that fine-scale precipitation occurs even without post-deformation heat treatment. Small-angle X-ray scattering detects precipitates with
radii between 2.5-20 nm after one rotation, with little increase in particle size or volume fraction after 20 rotations. High resolution electron micrographs identify grain boundary precipitates of monoclinic Mg$_4$Zn$_7$ phase after three rotations and MgZn$_2$ after 20 rotations.
Recently, a Monte Carlo method has been presented which allows for the form-free retrieval of size distributions from isotropic scattering patterns, complete with uncertainty estimates linked to the data quality. Here, we present an adaptation to thi
s method allowing for the fitting of anisotropic 2D scattering patterns. The model consists of a finite number of non-interacting ellipsoids of revolution (but would work equally well for cylinders), polydisperse in both dimensions, and takes into account disorientation in the plane parallel to the detector plane. The method application results in three form-free distributions, two for the ellipsoid dimensions, and one for the orientation distribution. It is furthermore shown that a morphological restriction is needed to obtain a unique solution.
