Density functional theory calculations of anisotropic constitutive relationships in alpha-cyclotrimethylenetrinitramine
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منابع مشابه
Density functional theory calculations of anisotropic constitutive relationships in alpha-cyclotrimethylenetrinitramine
Constitutive relationships in the crystalline energetic material -cyclotrimethylenetrinitramine -RDX have been investigated using first-principles density functional theory. The equilibrium properties of -RDX including unit cell parameters and bulk modulus, as well as the hydrostatic equation of state EOS , have been obtained and compared with available experimental data. The isotropic EOS has ...
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ژورنال
عنوان ژورنال: Journal of Applied Physics
سال: 2008
ISSN: 0021-8979,1089-7550
DOI: 10.1063/1.3031216