LAUSR

Abstract This paper investigates the heterogeneous kinetics of Al nanoparticles (NPal) under the influence of atomic numbers, heating rates, temperature and different annealing times by simulations method Molecular dynamics (MD) combined with embedded interaction potential Sutton-Chen (SC) and free boundary conditions. The results heterogeneous kinetics of NPal have been examined through Radial Distribution Function (RDF), total energy of the system (Etot), size (D), Common Neighborhood Analysis (CNA) method. The results show, the crystallization process takes place at the crystallization temperature Tg = 600 K lead to structure unit number Face-Centred Cubic (FCC), Hexagonal Close-Packed (HCP), Amorphous (Amor) change. Our finding indicates that the D and Etot of NPal nanoparticle are proportional to the atomic number (N) as D ∼ N−1/3, Etot ∼ N−1. The formation of FCC and HCP, Amor structure units are affected by the number of atoms (N), heating rate, temperature (T) and annealing time (t).