aSchool of Materials Science and Engineering, Central South University, Changsha 410083 China
bState Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China
Abstract:
A generalized bond-energy model has been developed to calculate the cohesive energy of nanoparticles by considering the different contributions of face-, edge- and corner-atoms. The model is adapted for metallic particles in a large size range from several atoms to infinity, studying their morphology, phase stability and melting point, etc.