Stillinger-Weber potential introduced

Mainly in the field of materials science various types of potentials have been developed based on the concept of the bond order. " Like for reactive force fields also for the application of these potentials a specification of the atomic positions is sufficient. Although many of these potentials like the Tersoff potential, the Stillinger-Weber potential, the Breimer potential and many others have been introduced already one or two decades ago, they are still frequently used in materials simulations, in particular for semiconductors. For metallic systems the embedded atom method (EAM) and the modified embedded atom method (MEAM) introduced by Baskes and coworkers are widely distributed. 

The characteristic time of this diffusion was estimated by carrying out the molecular dynamic relaxation of the film surface within the limits of the above model at 500°C. In MD calculations, the pair interaction energy between atoms is approximated by the Buckingham pair potential (Zr O, O-O) (see Table 9.4). To describe covalent bonds more correctly, a three-body O-Zr-O term in the Stillinger-Weber form was introduced in addition to the Coulomb term. 

A simple model, which has been quite successful in solids with the diamond or zinc-blende stmcrnre, was introduced by Stillinger and Weber (Stillinger and Weber, 1985). The first term in the potential is the product of a Lennard-Jones-like pair-wise interaction and a cut-off function smoothly terminating the potential at some distance r. The second term is a multi-variable three-body potential written as a separable product of two radial functions and an angular function ... 

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