Molecular Dynamics of Covalent Crystals

J. Hahn and H.-R. Trebin
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J. Hahn: Universität Stuttgart, Institut für Theoretische und Angewandte Physik
H.-R. Trebin: Universität Stuttgart, Institut für Theoretische und Angewandte Physik

A chapter in High Performance Computing in Science and Engineering ’99, 2000, pp 92-99 from Springer

Abstract: Abstract A molecular mechanics-like two and three body potential is implemented in the ITAP molecular dynamics program IMD 1. First results on the simulation of covalent crystals are presented.

Keywords: Pair Interaction; Equilibrium Distance; Valence Angle; Neighbour List; Body Potential (search for similar items in EconPapers)
Date: 2000
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-59686-5_9

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DOI: 10.1007/978-3-642-59686-5_9

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