Artículos de revistas
Monte Carlo simulation of elongating metallic nanowires in the presence of surfactants
Fecha
2015-12Registro en:
Gimenez, Maria Cecilia; Reinaudi, Luis; Leiva, Ezequiel Pedro M.; Monte Carlo simulation of elongating metallic nanowires in the presence of surfactants; American Institute of Physics; Journal of Chemical Physics; 143; 244702; 12-2015
0021-9606
1089-7690
CONICET Digital
CONICET
Autor
Gimenez, Maria Cecilia
Reinaudi, Luis
Leiva, Ezequiel Pedro M.
Resumen
Nanowires of different metals undergoing elongation were studied by means of canonical Monte Carlo simulations and the embedded atom method representing the interatomic potentials. The presence of a surfactant medium was emulated by the introduction of an additional stabilization energy, represented by a parameter Q. Several values of the parameter Q and temperatures were analyzed. In general, it was observed for all studied metals that, as Q increases, there is a greater elongation before the nanowire breaks. In the case of silver, linear monatomic chains several atoms long formed at intermediate values of Q and low temperatures. Similar observations were made for the case of silver-gold alloys when the medium interacted selectively with Ag.