Reactive molecular dynamics and DFT simulations of FTDO explosive
Rene Gonçalves, Aleksey E. Kuznetsov, Bruno T. Rocco, Leopoldo Rocco, José Atílio Fritz Fidel Rocco
Topics & Concepts
ChemistryExplosive materialDetonationDecompositionMolecular dynamicsDensity functional theoryComputational chemistryFragmentation (computing)Activation energyDetonation velocityChemical physicsPhysical chemistryThermodynamicsOrganic chemistryPhysicsComputer scienceOperating systemEnergetic Materials and CombustionThermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structure