Alexander Stukowski

TL;DR: The Open Visualization Tool (OVITO) as discussed by the authors is a 3D visualization software designed for post-processing atomistic data obtained from molecular dynamics or Monte Carlo simulations, which is written in object-oriented C++, controllable via Python scripts and easily extendable through a plug-in interface.

TL;DR: In this paper, a discrete Burgers circuit integral over the elastic displacement field is used to identify partial and interfacial dislocations in atomistic models of crystals with defects, which is not limited to specific lattices or dislocation types.

TL;DR: In this article, the authors discuss existing and new computational analysis techniques to classify local atomic arrangements in large-scale atomistic computer simulations of crystalline solids and introduce a new structure identification algorithm, the neighbor distance analysis, which is designed to identify atomic structure units in grain boundaries.

TL;DR: In this article, the authors discuss existing and new computational analysis techniques to classify local atomic arrangements in large-scale atomistic computer simulations of crystalline solids and introduce a new structure identification algorithm, the Neighbor Distance Analysis, that is designed to identify atomic structure units in grain boundaries.

TL;DR: In this paper, a method for extracting dislocation lines from atomistic simulation data in a fully automated way is described, which is called dislocation extraction algorithm (DXA), which generates a geometric description of dislocations lines contained in an arbitrary crystalline model structure.