Effects of extrusion ratio and direction on extruded Au nanowires investigated using molecular dynamics simulation

Abstract The effects of the extrusion ratio (diameter mold inlet divided by that its outlet) and direction on extruded Au nanowires (NWs) are studied using molecular dynamics simulations based embedded-atom method. investigated in terms atomic trajectories, common neighbor analysis, flow field, system pressure, NW length-pressing ram displacement curve. simulation results show for forward process, a smaller leads to larger diameter smoother cross-sectional profile. Extruded NWs obtained at have higher face-centered cubic fraction less disordered structure due lower pressure. adhesion effect between outer walls increases with increasing ratio, resulting an uneven appearance decrease their length. backward process can produce amorphous from crystal NWs. longer than those produced process.