VoroTop: Voronoi Cell Topology Visualization and Analysis Toolkit

04/11/2018

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by   Emanuel A. Lazar, et al.

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This paper introduces a new open-source software program called VoroTop, which uses Voronoi topology to analyze local structure in atomic systems. Strengths of this approach include its abilities to analyze high-temperature systems and to characterize complex structure such as grain boundaries. This approach enables the automated analysis of systems and mechanisms previously not possible.