Thermodynamic assessment of the Am–Pu system with input from ab initio

Based on the CALPHAD approach, thermodynamic properties and phase diagram of the Am–Pu system are assessed with input from results of ab initio electronic-structure calculations within the framework of density-functional theory. Despite the limited availability of experimental data on this binary system, thermodynamic assessment has been performed and two phase diagrams are proposed that make distinction at high temperature between the relative stability of the bcc phase and the liquid state. Our investigation provides guidance and motivates further experimental studies.