Compaction simulation of nano-crystalline metals with molecular dynamics analysis

Abstract

Abstract. The molecular-dynamics analysis is presented for 3D compaction simulation of nano-crystalline metals under uniaxial compaction process. The nano-crystalline metals consist of nickel and aluminum nano-particles, which are mixed with specified proportions. The EAM pair-potential is employed to model the formation of nano-particles at different temperatures, number of nano-particles, and mixing ratio of Ni and Al nano-particles to form the component into the shape of a die. The die-walls are modeled using the Lennard-Jones inter-atomic potential between the atoms of nano-particles and die-walls. The forming process is model in uniaxial compression, which is simulated until the full-dense condition is attained at constant temperature. Numerical simulations are performed by presenting the densification of nano-particles at different deformations and distribution of dislocations. Finally, the evolutions of relative density with the pressure as well as the stress-strain curves are depicted during the compaction process.