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A set of Modified Embedded Atom Method (MEAM) potentials for the interactionsbetween Al, Si, Mg, Cu, and Fe was developed from a combination of eachelement's MEAM potential in order to study metal alloying. Previously publishedMEAM parameters of single elements have been improved for better agreement tothe generalized stacking fault energy (GSFE) curves when compared withab-initio generated GSFE curves. The MEAM parameters for element pairs wereconstructed based on the structural and elastic properties of element pairs inthe NaCl reference structure garnered from ab-initio calculations, withadjustment to reproduce the ab-initio heat of formation of the most stablebinary compounds. The new MEAM potentials were validated by comparing theformation energies of defects, equilibrium volumes, elastic moduli, and heat offormation for several binary compounds with ab-initio simulations andexperiments. Single elements in their ground state crystal structure weresubjected to heating to test the potentials at elevated temperatures. An Alpotential was modified to avoid formation of an unphysical solid structure athigh temperatures. The thermal expansion coefficient of a compound with thecomposition of AA 6061 alloy was evaluated and compared with experimentalvalues. MEAM potential tests performed in this work, utilizing the universalAtomistic Simulation Environment (ASE), are distributed to facilitatereproducibility of the results.

MEAM potentials for Al, Si, Mg, Cu, and Fe alloys