Structure evolution due to heat treatment of aluminum nanoparticle with different sizes: a molecular dynamics study

In this study, we performed Molecular Dynamics (MD) Simulation to investigate the significance of diameter during heat treatment of Aluminum nanoparticle. Structure information along with thermodynamics evolution is analyzed to explain the significance. Different sizes of nanoparticle diameter, i.e., 5 nm, 10 nm, and 15 nm, were investigated with same heating rate. The results show that smallest diameter is suffered for total melting, while for larger nanoparticle small fractions remains. Thermodynamics information indicated the relation that smaller diameter will experience faster pressure oscillations period. While for larger system, the period is longer, but the pressure value become stronger. Structure analysis confirmed that the nanoparticles are melted at the end of the simulation.