- Conference date: 24–29 June 2007
- Location: Waikoloa (Hawaii)
This paper presents results of first‐principles density functional calculations of the equation of state (EOS) of PETN‐I and β‐HMX. The isotropic EOS for hydrostatic compression has been extended to include uniaxial compressions in the , , , , , , and  directions up to compression ratio 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 β‐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.
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