Thermal decomposition mechanism of TKX-50 explored by neural network based molecular dynamics simulation
Xiaohe Wang, Junqing Yang, Gazi Hao, Yubing Hu, Xiaojun Feng, Wei Jiang
Topics & Concepts
Molecular dynamicsMechanism (biology)DecompositionThermal decompositionDynamics (music)ChemistryBiological systemChemical physicsComputational chemistryComputer sciencePhysicsOrganic chemistryBiologyAcousticsQuantum mechanicsEnergetic Materials and CombustionThermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structure