Thermodynamic assessment of the Cd–X (X= Sr, Ti, B, V) systems

Abstract The Cd–X (X= Sr, Ti, B, V) systems have been critically reviewed and modeled by means of the CALPHAD approach. The eight compounds, SrCd 11 , SrCd 6 , Sr 13 Cd 58 , SrCd 2 , SrCd, Sr 5 Cd 3 , TiCd and Ti 2 Cd, were treated as stoichiometric phases. By means of first-principles calculations, the enthalpies of formation at 0 K for the SrCd 11 , SrCd 2 , SrCd and Sr 5 Cd 3 have been computed to be −13892.5, −33985.2, −32280.5 and −24195.4 J/mol-atoms, respectively, with the desire to assist the thermodynamic modeling. Gas phase was treated as an ideal gas mixture of species V, B, B 2 and Cd. A set of self-consistent thermodynamic parameters was finally obtained for each of these binary systems. Comparisons between the calculated and measured phase diagrams as well as thermodynamic properties showed that most of the experimental information can be satisfactorily accounted for by the present thermodynamic descriptions.