One-dimensional molecular-dynamics simulation of the detonation of nitric oxide
- 15 January 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 39 (2), 1453-1456
- https://doi.org/10.1103/physrevb.39.1453
Abstract
A series of one-dimensional molecular-dynamics simulations was performed to model the shock-induced initiation of detonation in nitric oxide. Three-body potentials were used to reproduce accurately the energetics of the elementary reactions leading to the formation of the product species, molecular nitrogen and oxygen. The model produces a stable, self-propagating detonation front, without additional parametrization or the introduction of frictional forces. Initiation threshold, reaction-zone widths, product distributions, steady-state detonation-front velocities, and density and temperature profiles resulting from these simulations are presented.Keywords
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