Dependence of the Elastic Stiffness Tensors of PETN, α‐RDX, γ‐RDX, ϵ‐RDX, ϵ‐CL‐20, DAAF, FOX‐7, and β‐HMX on Hydrostatic Compression
M. J. Cawkwell, Milovan Zečević, Darby J. Luscher, Kyle Ramos
Abstract
Abstract The dependence of the components of the elastic stiffness tensors (or elastic constants) of the organic explosives PETN, RDX, CL‐20, DAAF, FOX‐7, and HMX on hydrostatic pressure up to 10 GPa have been computed using dispersion‐corrected density functional theory. We report the evolution of lattice parameters and the non‐zero stiffnesses for the tetragonal, orthorhombic, and monoclinic crystal symmetries. Linear and quadratic dependencies of the components of the elastic stiffness tensors on volumetric compression and hydrostatic pressure are tabulated for use in single crystal plasticity models.
Topics & Concepts
Materials scienceTetragonal crystal systemMonoclinic crystal systemStiffnessHydrostatic pressureOrthorhombic crystal systemHydrostatic equilibriumExplosive materialCompression (physics)Composite materialThermodynamicsCrystal structureCrystallographyChemistryOrganic chemistryPhysicsQuantum mechanicsEnergetic Materials and CombustionCrystallography and molecular interactionsBoron and Carbon Nanomaterials Research