Non-Equilibrium Effects Seen in Molecular Dynamics Calculations of Shock Waves in Solids
In a number of experiments1–3 carried out to study the effects of shock waves in condensed materials (particularly in chemical explosives), we found evidence for the mechanical fracture of covalent bonds in or very near the shock fronts which produced free atoms and free radicals, as well as other thermally-activated atomic and molecular species. Scrutiny of the streak and framing camera records obtained in these experiments led us, with other analysis, to the formulation of a new concept of the shock initiation of explosives.4,5 To obtain some corroboration of this concept and to elucidate the microscopic processes occurring in the shock, we completed computer modeling and molecular dynamics analysis of the experiments.
KeywordsShock Front Vibrational Energy Host Lattice Shock Loading Rotational Energy
Unable to display preview. Download preview PDF.
- 7.J. R. Hardy, A. M. Karo, and F. E. Walker, The molecular dynamics of shock and detonation phenomena in condensed matter, Progress in Aeronautics and Astronautics 75, J. R. Bowen, ed., American Institute of Aeronautics and Astronautics (1981).Google Scholar
- 8.A. M. Karo and J. R. Hardy, The study of fast shock-induced dissociation by computer molecular dynamics, Proceedings of the NATO Advanced Study Institute on Fast Reactions in Energetic Systems, C. Capellos and R. F. Walker, eds., D. Reidel Publishing Co., Dordrecht-Holland, Boston, USA (1981).Google Scholar
- 9.P. Harris and H. N. Presles, Comparison of the optical reflectivity of a shock front in liquid water and in liquid nitromethane, U.S. Army Armament Research and Development Command, Dover, N.J., Technical Report ARLCD-TR-82025 (November 1982).Google Scholar