Pentagonal multi-shell Cu nanowires

We have investigated pentagonal multi-shell-type Cu nanowires using classical molecular dynamics simulations. Each pentagonal multi-shell-type nanowire is composed of a central atomic strand and pentangular tubes made of five-times-folded {{ }100{} } sheets. Their structural properties are similar to those of face-centred-cubic structures, as each of the subunits has a quadrangular-pyramid shape oriented in the 100 direction. Our simulations show that, at room temperature, ultrathin pentagonal Cu nanowires are seldom found; however, pentagonal multi-shell-type Cu nanowires, with diameters of several nanometres, are found in the stable structures.