Melting Properties of (Agx-Pd1-x)256 Bimetallic Nanoclusters Supported on SWCNT

We employed the molecular dynamics simulation to examine the heating and cooling processes of (Agx-Pd1-x)256 bimetallic nanoclusters supported on single walled carbon nanotube (SWCNT) with different concentrations (x = 0, 0.25, 0.5, 0.75, 1) in temperature range of 200-1600K. The melting temperature of nanoclusters was found by using several methods, such as potential curves and special heat capacity. Also the melting points were confirmed by deformation parameters, radial distribution function, density profile and self-diffusion coefficient. We observed the hysteresis in potential curves of heating and cooling that increased for bimetallic nanoclusters.