Excess properties of solutions in (Nd, Gd, and Dy)-Ru binary systems based on linear, exponential, and combined models supported by ab-initio calculationsстатья
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Аннотация:Structured thermodynamic optimisation of the Ln-Ru (where Ln Nd, Gd, and Dy) binary systems were effectuated on the basis of CALPHAD process. This strategy taking into consideration the analytical review of the convenient experimental information published in literature, including both phase equilibria and thermodynamic datum. Thirteen inner phases: Ln3Ru, Nd5Ru2 , Ln7Ru3 , Nd5Ru3 , Ln73Ru27 , Ln2Ru, and LnRu2 featured in the Ln-Ru three binary systems, were considered as stoichiometric compounds. The exponential and linear models were used to describe the temperature dependence of the excess quantities of Liquid,(Nd), (Nd), (Dy), (Dy), (Gd), (Gd), and (Ru) solid solution phases. They were set side by side with the combined linear- exponential temperature dependence of the resulting interaction energies. Self-consistent thermodynamic parameters used to depict the Gibbs energies of numerous phases exist in Ln-Ru binary systems were reached throughout Thermo-Calc software. The attained calculated results are in good consistency with convenient phase equilibrium and thermodynamic datum.