  We develop a new approach to determining LJ-EAM potentials for alloys and use
these to determine the solid-liquid phase diagrams for binary metallic alloys
using Kofke's Gibbs-Duhem integration technique combined with semigrand
canonical Monte Carlo simulations. We demonstrate that it is possible to
produce a wide-range of experimentally observed binary phase diagrams (with no
intermetallic phases) by reference to the atomic sizes and cohesive energies of
the two elemental materials. In some cases, it is useful to employ a single
adjustable parameter to adjust the phase diagram (we provided a good choice for
this free parameter). Next, we perform a systematic investigation of the effect
of relative atomic sizes and cohesive energies of the elements on the binary
phase diagrams. We then show that this approach leads to good agreement with
several experimental binary phase diagrams. The main benefit of this approach
is not the accurately reproduction of experimental phase diagrams, but rather
to provide a method by which material properties can be continuously changed in
simulations studies. This is one of the keys to the use of atomistic
simulations to understand mechanisms and properties in a manner not available
to experiment.
