Palavra-chave: REAXFF

LAMMPS GRAPHDIYNE NANOTUBES FULLY ATOMISTIC MOLECULAR DYNAMICS NANOTUBO GRAPHYNE ELASTIC PROPERTIES REACTIVE FORCE FIELD CARBON NANOTUBES LLAMMPS MOLECULAR DYNAMICS BORON NITRIDE CARBON NANOTUBE NANORIBBONS HEALING DFTB CONDIÇÕES EXTREMAS NANOESTRUTURAS NANODISCOS FUNCTIONALIZATION GRAFENO NANOCORDAS DINÂMICA MOLECULAR REATIVA GRAPHENE MATERIAL SCIENCES FLUOROGRAPHENE SILICENE NANOTUBOS CAMPO DE FORÇAS REATIVO PROPRIEDADES MECÂNICAS EXTREME CONDITIONS OXIDATION BALÍSTICO DINÄMICA MOLECULAR MECHANICAL PROPERTIES FOAM HYBRID NANOSTRUCTURES NANOSCROLLS GRAPHANE SIMULATIONS FRACTURE ESPUMAS NANOTUBOS POROSOS UNZIPPING HYDROGENATION NANOTUBE