New project supported by the Spanish Supercomputing Network

The resources of the Spanish Supercomputing Network will be used to determine the phase diagrams of the Al-Cu, Al-Li and Al-Cu-Li systems, with particular emphasis in the Al-rich region because of its technological interest to develop high strength, low density Al alloys. The phase diagram prediction will be carried out using the cluster expansion formalism in combination with statistical mechanics taking also into account vibrational entropic contributions to the free energy.