A study about of size depending on melting point and crystallization of Gold nanoparticles by molecular dynamic Simulation method

Molecular dynamics simulation of the crystallization behavior of liquid gold (Au) nanoparticles with 1, 2, 3, 4, 5 and 6 nm in diameter, on cooling has been carried out based on the embeddedatom-method potential. With decreasingcoolingtime, the final structure of the particle changesfrom amorphous to crystalline structure We showed that the structure of the fully crystallized particle is polycrystalline face-centered cubicFCC). The FCC structure of the gold nanoparticle is proved energetically the most stable form. And the final structure of nanoparticles are affected by cooling time and size of nanoparticles. We also showed that the melting point of particles is affected by size of nanoparticles. Computer simulation; Molecular dynamics Crystallization; Particle nucleation