Molecular Dynamics Simulation of the Kinetic Reaction of Ni and Al Nanoparticles

Molecular dynamics simulations have been used to gain a more thorough understanding of the kinetic reaction of Ni and Al nanoparticles. We have considered the affect of primary particle size on sintering time and sintering temperature for separate nanoparticles. Coated nanoparticles in the form of Ni-coated Al nanoparticles and Al-coated Ni nanoparticles are also analyzed. Simulation results show that the sintering time for coated nanoparticles is linearly dependent upon the number of atoms or volume of the sintering nanoparticles. We have also found that nanoparticle size and surface energy are important factors in determining the adiabatic reaction temperature.