Molecular dynamics (MD) is a simulation of physical movements of atoms and molecules in the context of N body simulation. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. Molecular Dynamic (MD) simulation is one of the important methods that can be applied to simulate joining processes at the atomic scale. Nowadays, many investigations had been done in molecular dynamics simulation of various joining processes like diffusion bonding, explosive welding, friction stir welding, linear friction welding, cold welding, nanojoining, thermal bonding, and nanoscale soldering. The development of MD simulation on the joining process has been done through the decade and is very clear that it delivering much new understanding on the various joining processes at the nanoscale. The joining quality is determined by the mechanical properties that achieved, which also has been proved by some researcher, could be estimated by using MD simulation.