Date of Award
12-2024
Degree Type
Thesis
Degree Name
Master of Science (MS)
Department
Chemistry
First Advisor
Dr. Gregory Poon
Second Advisor
Dr. Nicola Wolpert
Third Advisor
Dr. Samer Gozem
Abstract
Additively weighted Voronoi diagrams represent the most objective approach for equitable space partitioning around spherical objects and are commonly applied in various matter approximation models. Despite progress over the years, there is no open-source software available to generate additively weighted cells that correctly represent the space attributable to spherical matter approximations of finite radius. An outline of the theory behind and the development of such a program is reported here. This program is then used to compare the additively weighted diagram to simpler Voronoi diagrams. In this comparison, the additively weighted Voronoi diagram’s ability to fairly allocate the surrounding volume of spherical collections emphasizes its superiority. Analyzing equivalent diagrammatic structures reveals that key factors - such as density, polydispersity, and sphere overlap - are the primary drivers of deviations from the additively weighted approach. These parameters can be leveraged to quantify the average per-sphere deviation observed in alternative Voronoi methodologies.
Recommended Citation
Ericson, John M., "The Geometry of Spatial Decomposition: Evaluating Partitioning Schemes in Physical Chemical Systems." Thesis, Georgia State University, 2024.
https://scholarworks.gsu.edu/chemistry_theses/175
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