Thermodynamic modelling of the Al–Ni–V system

Al, Ni and V are common alloying elements in many kinds of alloys, but all three are rarely used together. Therefore, only a rather small number of investigations have been made within this system. In this work, the existing knowledge about the Al–Ni–V system was collected and a Calphad type thermodynamic model was constructed. The NiAl-based B2 phase, the Ni 3 Al-based L1 2 phase, the fcc, the bcc and the σ phase extend appreciably into the ternary system, but there is no ternary phase. For the first four phases order–disorder models are used. The modelling of the σ phase, using a three sublattice 10:4:16 model, is supported by extensive first principles calculations. The present modelling is based on previous assessments of the binary systems with some modification of the Al–V system. In spite of a lack of reliable experimental data, a reasonable model of the system could be constructed. • Modelling of the Al-Ni-V system. • Order-disorder models for fcc/L1 2 and bcc/B2. • DFT calculations for all permutations of the σ phase.