Review of the phonon calculations for energetic crystals and their applications
Wen Qian, Chaoyang Zhang
Abstract
The phonon is one of the most important elementary excitation in solid system, as a gene related to the thermal properties and chemical stability of energetic materials. This paper reviews the molecular modeling methods and theoretical applications of phonon spectra for energetic crystals, and details the phonon-based investigations of lattice stability, thermal properties, vibrational spectra, and initiation mechanism. Besides, it presents a perspective on coupling mechanics, phonons, and chemical reactions, aiming to achieve deep understanding of the ignition mechanism of energetic crystals.
Topics & Concepts
PhononLattice (music)Chemical physicsCoupling (piping)Materials scienceThermal stabilityThermalExcitationSpectral lineMechanism (biology)Chemical stabilityCondensed matter physicsPhysicsThermodynamicsQuantum mechanicsAcousticsMetallurgyEnergetic Materials and CombustionHigh-pressure geophysics and materialsBoron and Carbon Nanomaterials Research