arXiv subjects

Phillip Crout

Publications and source records attributed to Phillip Crout.

5 recordsLinked to original sources

arXiv2026

kikuchipy: an open-source toolbox for analysis of EBSD patterns

We present kikuchipy, an open-source toolbox for analysis of electron backscatter diffraction patterns, written in Python. The software is capable of both Hough and dictionary indexing and orientation and/or projection center refinement of patterns stored in file formats from all major vendors. Indexing results can be validated using maps independent of indexing and by visually comparing experimental and simulated patterns. By leveraging scientific packages in the Python ecosystem, emphasis is put on making the indexing workflow flexible and improve results through fast iteration. The software's capabilities are demonstrated on three application examples: analysis of orientation relationships in a super duplex stainless steel, phase differentiation of aluminium and silicon in a cast modified Al-Si alloy, and phase differentiation of particles in an Al-Mn alloy as Al6Mn or alpha-AlMnSi. The diffraction patterns and analysis workflows are made publicly available. kikuchipy was created and is developed as a resource for the electron microscopy community, allowing anyone to improve the software or include it into their own analysis workflows or softwares.

cond-mat.mtrl-sci↗

arXiv2023

Two-Dimensional Strain Mapping with Scanning Precession Electron Diffraction: An Investigation into Data Analysis Routines

Scanning precession electron diffraction (SPED) is a powerful technique for investigating strain. While extensive literature exists analysing strain under high convergence angle conditions there are few systematic studies describing work based around the use of smaller convergence angles despite this being a common set-up. We fill in some of this gap in the literature by providing a workflow for both the experimental and analysis components of such experiments. Our case study investigates strained Gallium Arsenide nanowires with a modern direct electron detector and common microscope alignments. Three peak finding routines are compared and we provide both source code and raw data to allow others to reproduce our findings.

cond-mat.mtrl-sci↗

arXiv2021

Free, flexible and fast: orientation mapping using the multi-core and GPU-accelerated template matching capabilities in the python-based open source 4D-STEM analysis toolbox Pyxem

This work presents the new template matching capabilities implemented in Pyxem, an open source Python library for analyzing four-dimensional scanning transmission electron microscopy (4D-STEM) data. Template matching is a brute force approach for deriving local crystal orientations. It works by comparing a library of simulated diffraction patterns to experimental patterns collected with nano-beam and precession electron diffraction (NBED and PED). This is a computationally demanding task, therefore the implementation combines efficiency and scalability by utilizing multiple CPU cores or a graphical processing unit (GPU). The code is built on top of the scientific python ecosystem, and is designed to support custom and reproducible workflows that combine the image processing, template library generation, indexation and visualisation all in one environment. The tools are agnostic to file size and format, which is significant in light of the increased adoption of pixelated detectors from different manufacturers. This paper details the implementation, validation, and benchmarking results of the method. The method is illustrated by calculating orientation maps of nanocrystalline materials and precipitates embedded in a crystalline matrix. The combination of speed and flexibility opens the door for automated parameter studies and real-time on-line orientation mapping inside the TEM.

cond-mat.mtrl-sci↗

arXiv2020

Density-based clustering of crystal orientations and misorientations and the orix python library

Crystal orientation mapping experiments typically measure orientations that are similar within grains and misorientations that are similar along grain boundaries. Such (mis)orientation data will cluster in (mis)orientation space and clusters are more pronounced if preferred orientations or special orientation relationships are present. Here, cluster analysis of (mis)orientation data is described and demonstrated using distance metrics incorporating crystal symmetry and the density-based clustering algorithm DBSCAN. Frequently measured (mis)orientations are identified as corresponding to grains, grain boundaries or orientation relationships, which are visualised both spatially and in three-dimensional (mis)orientation spaces. A new open-source python library, orix, is also reported.

cond-mat.mtrl-sci↗

arXiv2019

Liquid phase parametrisation and solidification in many-body dissipative particle dynamics

Many-body dissipative particle dynamics (MDPD) is a mesoscale method capable of reproducing liquid-vapour coexistence in a single simulation. Despite having been introduced more than a decade ago, this method remains broadly unexplored and, as a result, relatively unused for modelling of industrially important soft matter systems. In this work, we systematically investigate the structure and properties of an MDPD fluid. We show that, besides the liquid phase, the MDPD potential can also yield a gas phase and a thermodynamically stable solid phase with a bcc lattice, but lacking a proper stress-strain relation. For the liquid phase, we determine the dependence of density and surface tension on the interaction parameters, and devise a top-down parametrisation protocol for real liquids.

physics.chem-ph↗