Conroy, M. and Oleynik, I. I. and Zybin, S. V. and White, C. T. (2007) Anisotropic constitutive relationships in energetic materials: PETN and HMX. In: Shock Compression of Condensed Matter - 2007: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, Waikoloa, HI, 24–29 June 2007. American Institute of Physics Conference Proceedings (955). American Institute of Physics , Melville, NY, pp. 361-364. ISBN 978-0-7354-0469-4 http://resolver.caltech.edu/CaltechAUTHORS:CONaipcp07
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This paper presents results of first-principles density functional calculations of the equation of state (EOS) of PETN-I and beta-HMX. The isotropic EOS for hydrostatic compression has been extended to include uniaxial compressions in the , , , , , , and  directions up to compression ratio V/V0 = 0.70. Equilibrium properties, including lattice parameters and elastic constants, as well as hydrostatic EOS are in good agreement with available experimental data. The shear stresses of uniaxially compressed PETN-I and beta-HMX have been evaluated and their behavior as a function of compression ratio has been used to make predictions of shock sensitivity of these EMs. A comparison of predicted sensitivities with available experimental data has also been performed.
|Item Type:||Book Section|
|Additional Information:||©2007 American Institute of Physics. Issue Date: December 12, 2007. The work at USF was supported by the Office of Naval Research (ONR) through the Naval Research Laboratory (NRL). The work at NRL was also supported by ONR both directly and through NRL. M. Conroy thanks the organizing committee of SCCM 2007 (Ricky Chau) for the travel support to attend SCCM 2007 in Hawaii.|
|Subject Keywords:||explosions, equations of state, density functional theory, shock wave effects|
|Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Archive Administrator|
|Deposited On:||20 Dec 2007|
|Last Modified:||26 Dec 2012 09:48|
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