Study of the Elastic Properties of the Energetic Molecular Crystals Using Density Functionals with van der Waals Corrections
I. A. Fedorov, Chuong V. Nguyen, Alexander Prosekov
Abstract
and had the highest anisotropy. Crystalline pentaerythritol tetranitrate had almost isotropic mechanical properties.
Topics & Concepts
van der Waals forceIsotropyCompressibilityAnisotropyDensity functional theoryMaterials scienceThermodynamicsPentaerythritolWork (physics)Van der Waals radiusComputational chemistryPhysicsMoleculeChemistryQuantum mechanicsComposite materialFire retardantEnergetic Materials and CombustionHigh-pressure geophysics and materialsBoron and Carbon Nanomaterials Research