Palavra-chave: REAXFF

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