Abstract:
Mathematical models (point systems) of the atom arrangement in solids are considered. A new approach to the design of such models is proposed. It is based on the operation of differentiation introduced for point systems. The differentiation operation is used to obtain a general mathematical criterion for distinguishing between various types of crystal and nearly crystal structures. Several theorems are proved that specify the constraints on point systems that lead to such structures.
Key words:models of crystal structures, numerical grid generation, unstructured meshes.