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

The U.S. Army has an interest in the use of alloys that produce excessive heat during formation and can be used for structural purposes such as shell casings. Molecular dynamics simulations have been used to provide a more thorough understanding of one of these alloys systems, namely 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 and for coated nanoparticles in the form of Ni-coated Al nanoparticles and Al-coated Ni. 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 is an important factor in determining the adiabatic reaction temperature.