Volume–surface relation of voronoi polyhedra in silicate glasses

Abstract Several silicate glasses were prepared by means of molecular dynamics. Two types of atomic potentials and different thermodynamics conditions were used for the glass structure simulations. Voronoi polyhedra (VP) tessellation in each glass was performed and VP were analyzed according to the equation, V i j = Θ j P i j 3 / 2 + V 0 j ( S ) ( 1 - η j P i j 3 / 2 ) , relating the surface, P, and the volume, V, of each VP. A physical interpretation of the parameters present in the equation is discussed.