Chemical ordering effect on melting temperature, surface energy of copper–gold bimetallic nanocluster

摘要: Abstract Molecular dynamics simulations using the Gupta potential have been used to study bimetallic Au–Cu nanoclusters. Particular attention has paid effect of chemical ordering on surface energy, radial distribution function and melting temperature. The energy a Au nanocluster is lower than Cu nanocluster. position peaks do not depend fraction doping nanoclusters leads significant decrease energy. temperature that we calculated for alloys with mole fractions 0, 0.25, 0.50, 0.75 1 are in agreement available experimental data.