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We discuss various approaches to modeling the interatomic interactions formolecular dynamics with special focus on the geometrical structural properties.The type of interactions considered are so called reactive force fields, i.e.interactions without predefined bonds and structures. The discussed cases coverthe well known Stillinger-Weber, Tersoff-Brenner, EDIP, ReaxFF and ABOPinteraction models as well as some additional examples. We discuss also arecently published synthesis of diamond-like structures by isotropic pairpotential with multiple minima and use this concepts to propose a sort ofclassification scheme for interactions with respect to the geometry modeling.In most details we discuss the Tersoff-Brenner potentials and alsoStillinger-Weber potential, since these models still appear quite popular inrecent research, even though the newer models are more efficient in mostrespects, except of simplicity. We also propose simple modifications of thebasically three-body interactions in order to attempt the simulation offour-body correlation effects. The main motive for this study has been to findhow the geometrical features are related to theoretical concepts and whetherall possibilities for simplification are exhausted.

Reactive interatomic potentials and their geometrical features