Molecular Dynamics Simulation of th e Melting Behavior of Cs-Na Bimeta llic Nanop articles

Bimetallic particles have tw o features not observed in one- component systems: su rface segreg ation and compositional orderi ng. Molecular dynamics simulations have been performed to study the meltin g of Cs-Na nanoparticle s at differen t compositions.

کلیدواژه ها:

Bimetallic nanoparticle ، Gup ta potential function ، Melting transition ، Mol ecular dynam ics simulation ، Thermodynamic pr operties ،