LAMMPS molecular dynamics simulation of methane decomposition on nickel thin films at high temperatures
Kun’ichi Miyazawa, Yumi Tanaka
Topics & Concepts
MethaneThin filmReaxFFNickelMolecular dynamicsDecompositionSupersaturationCarbon fibersHydrogenCarbon filmChemistryMaterials scienceChemical engineeringActivation energyPhysical chemistryNanotechnologyComputational chemistryOrganic chemistryComposite materialInteratomic potentialComposite numberEngineeringCatalytic Processes in Materials ScienceAdvanced Chemical Physics Studiesnanoparticles nucleation surface interactions