Simulations of diffusion in a Σ5(310) [001] Al tilt grain boundary were performed using three different potentials based upon the embedded atom method. The potentials that produced more accurate melting temperatures also yielded activation energies in better agreement with experimental data. Compared to pair potentials, these potentials also gave more accurate results.

Molecular Dynamics Simulations of Grain Boundary Diffusion in Al using Embedded Atom Method Potentials. Liu, C.L, Plimpton, S.J.: Journal of Materials Research, 1995, 10[7], 1589-92