An algorithm for three-dimensional Voronoi S-network

• Published in: Journal of computational chemistry Vol. 27; no. 14; pp. 1676 - 1692
• Main Authors: Medvedev, N. N., Voloshin, V. P., Luchnikov, V. A., Gavrilova, M. L.
• Format: Journal Article
• Language: English
• Published: Hoboken Wiley Subscription Services, Inc., A Wiley Company 15.11.2006; Wiley Subscription Services, Inc
• Subjects: additively-weighted Voronoi diagram; algorithm; Algorithms; Biochemistry; Computer based modeling; computer models of molecular systems; Computer Simulation; Delaunay simplex; Geometry; Models, Chemical; Molecular structure; polydisperse packings; Spheres; structure; voids

The paper presents an algorithm for calculating the three‐dimensional Voronoi–Delaunay tessellation for an ensemble of spheres of different radii (additively‐weighted Voronoi diagram). Data structure and output of the algorithm is oriented toward the exploration of the voids between the spheres. The...