Applications of Molecular Dynamics to the Study of Shock-Induced Chemistry.
Annual project rept.,
NAVAL RESEARCH LAB WASHINGTON DC
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The goal of this program is to develop and apply molecular dynamics techniques to problems in shock-induced chemistry in reactive and non-reactive materials. The three major thrusts of the work proposed are 1 To develop phenomenological submodels of molecular interactions that can be used in full molecular dynamics calculations. In particular, to develop models which include known quantum mechanical properties of atoms and molecules 2 To develop a model for doing many particle interactions on a vector computer and 3 To apply the resulting numerical models to problems of shocks in condensed phase materials.
- Atomic and Molecular Physics and Spectroscopy
- Quantum Theory and Relativity