Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials

Molecular dynamics and Monte Carlo simulations often rely on Lennard-Jones (LJ) potentials for nonbond interactions. We present 12−6 and 9−6 LJ parameters for several face-centered cubic metals (Ag, Al, Au, Cu, Ni, Pb, Pd, Pt) which reproduce densities, surface tensions, interface properties with wa... View More