Applications of the cluster variation method to empirical phase diagram calculations

Electron theoretical investigation of the stability of the B2-TiFe compound

“…Since then a large number of binary and ternary systems has been investigated using this technique (see Refs. [2][3][4][5][6][7] for a few examples). These calculations use experimental informations about the system (e.g.…”

Ab initio modelling of defect properties with substitutional and interstitials elements in steels and Zr alloys

“…Ab initio calculation in intermetallics have also been coupled to cluster expansion methods to obtain phase diagrams [16][17][18][19][20].…”

Nanoscale design of Ni–Al shape memory alloys

“…These methods have also been extended to polycrystalline materials via homogenization techniques [22][23][24] and complex structures such as cracks [25,26] to predict phase transformation behavior. Entropy-based cluster variation methods [27][28][29] have also been used to study phase equilibria in shape memory alloys.…”