WulffPack: A Python package for Wulff constructions
J. Magnus Rahm, Paul Erhart
Abstract
Nanoparticles have attracted continued interest in academia and industry over the last few decades due to their remarkable properties that differ from the same materials in bulk. These properties are dependent on not only the size of the nanoparticles but also their shape. It is thus of great importance for nanoscientists to be able to predict the shape of nanoparticles of different materials and in different environments
Topics & Concepts
Python (programming language)PolyhedronRegular polygonConvex hullComputer scienceDocumentationGeometryComputational scienceCrystallographyCombinatoricsMathematicsChemistryProgramming languageMachine Learning in Materials ScienceCatalysis and Hydrodesulfurization StudiesElectron and X-Ray Spectroscopy Techniques