Determining the mechanical and decomposition properties of high energetic materials (α-RDX, β-HMX, and ε-CL-20) using a neural network potential
Mingjie Wen, Xiaoya Chang, Yabei Xu, Dongping Chen, Qingzhao Chu
Abstract
: pyrolysis and oxidation. Overall, the NNP model for C/H/N/O elements in this work is an alternative reactive force field for RDX, HMX, and CL-20 HEMs, and it opens up new potential for future kinetic study of nitramine explosives.
Topics & Concepts
DecompositionPyrolysisEnergetic materialMaterials scienceThermal decompositionChemical engineeringTrajectoryChemistryExplosive materialEngineeringPhysicsOrganic chemistryAstronomyEnergetic Materials and CombustionThermal and Kinetic AnalysisRocket and propulsion systems research