A Topological Framework for Local Structure Analysis in
Large Point Sets
Emanuel A. Lazar, University of Pennsylvania
Abstract:
Many systems in our everyday lives can be abstracted as large sets
of points in space -- the Milky Way galaxy, the coffee in your
mug, and the aluminum housing of your iPhone can all be viewed as
large collections of point-like objects. Understanding how
these points are arranged is thus an interesting and natural
problem, though aside from perfect crystals and ideal gases,
describing this structure can be a very thorny problem. We
present a unified framework for characterizing local structure in
ordered and disordered point systems; this framework is built on a
semi-algebraic stratification of a relevant configuration space by
the complete topology of a particle’s Voronoi cell. Some
relevant theorems, as well as applications to computational
materials science, are considered.