Anisotropic Constitutive Relationships in Energetic Materials: Petn and Hmx
نویسندگان
چکیده
This paper presents results of first-principles density functional calculations of the equation of state (EOS) of PETN-I and P-HMX. The isotropic EOS for hydrostatic compression has been extended to include uniaxial compressions in the [100], [010], [001], [110], [101], [Oil], and [111] directions up to compression ratio VAAQ = 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 P-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.
منابع مشابه
First-principles investigation of anisotropic constitutive relationships in pentaerythritol tetranitrate
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