Kinetics formation of bimetallic nanoalloys at different simulation times

MD simulations were used for investigation on the kinetic formation of Ni-Pd nanoalloys at different simulation times. We have examined excess energies and bond order parameters for initial gas phase compositions including pure Ni, and Pd, and also Ni0.2Pd0.8, Ni0.4Pd0.6, Ni0.6Pd0.4, Ni0.8Pd0.2 concentrations. Excess energies for created Ni-Pd nanoalloys exhibit more instabilities for larger nanoparticles. Also, bond order results demonstrate amorphous structures for all of created nanoclusters. Moreover, number of formed clusters for pure Ni at 5 ns is more than pure Pd nanoclusters and number of formed clusters decreases when Pd is doped in pure Ni nanocluster.