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

Abstract

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.