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Dissociative Phase Transitions, Split Shock Waves, Rarefaction Shocks, and Detonations

Published online by Cambridge University Press:  15 February 2011

C. T. White,
D. H. Robertson,
M. L. Elert,
J. W. Mintmire and
D. W. Brenner
C. T. White
Affiliation:
Theoretical Chemistry Section, Naval Research Laboratory, Washington, DC 20375
D. H. Robertson
Affiliation:
Theoretical Chemistry Section, Naval Research Laboratory, Washington, DC 20375
M. L. Elert
Affiliation:
Chemistry Department, U. S. Naval Academy, Annapolis, MD 21402
J. W. Mintmire
Affiliation:
Theoretical Chemistry Section, Naval Research Laboratory, Washington, DC 20375
D. W. Brenner
Affiliation:
Theoretical Chemistry Section, Naval Research Laboratory, Washington, DC 20375
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Abstract

We present a comparative study of two different chemically-sustained shock waves. One shows behavior expected from the Zel'dovich, von Neumann, and Doering (ZND) continuum theory of planar detonations. The other exhibits the complexity of a split shock wave resulting from the presence of a polymorphic phase transition. This comparative study demonstrates the importance of carefully considering the high-pressure characteristics of the model in developing potentials for simulating detonations. This comparative study also raises the fascinating possibility of a first-order phase transition accompanying a condensed-phase detonation.

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