Voronoi space division of a polymer

In terms of Voronoi division we study the local geometry of a grafted polymer having 52 ends in united-atom molecular dynamics simulations. The volume of a Voronoi polyhedron for a chain end is larger than that for an internal or junction atom, and that it is the most sensitive to temperature. Chain ends dominantly localize at the surface of the globule: While the ratio of surface atoms is only 24% of all atoms, the ratio of ends at the surface is 91% out of all ends. The shape of Voronoi polyhedra for internal atoms is prolate even in the bulk. We find that two specific faces play a significant role in the faces occupy 38% of the total surface area of a Voronoi Voronoi space division of covalently bonding polymers: Two bonding polyhedron and determine the prolate shape.