Nanoparticle growth analysis by molecular dynamics: Cubic seed

摘要: Growth of a cubic nanoparticle was studied by classical molecular dynamics simulation for three seed sizes in nine different supersaturation ratios. Similar to the spherical our previous study, high ratios, two-stage phenomenon that consists an initial heterogeneous growth around and homogeneous nucleation at various sites within system observed. A decomposition distinct carried out results were compared from seed. The characteristics ratios show no significant difference, but as ratio decreases, rate systems with shapes shows deviation unity. Other tendencies are nearly identical seen study physical rationales alike. greater factor 3 10, even though number molecules each class identical, which is evidence shape effect. Furthermore, cluster formation free energy analysis conducted theory condensation theory. disk-shape modification used on produced similar seed, cap-shape modification. Additionally, showed better agreement sphere. Finally, mechanism seeds along packing surface diffusion analyzed why how grows.