Search results for "CALPHAD"
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Understanding sigma-phase precipitation in a stabilized austenitic stainless steel (316Nb) through complementary CALPHAD-based and experimental inves…
2014
Abstract Sigma-phase precipitation in a 316Nb “stabilized” austenitic stainless steel was studied through complementary CALPHAD-based and dedicated experimental investigations. Thermokinetic calculations performed using Thermo-Calc (with the DICTRA module) and MatCalc software showed that the sigma phase (σ) precipitated directly at γ-austenite grain boundaries (GB) via a common solid-state reaction when carbon and nitrogen contents fell below a critical threshold. Residual δ ferrite was found to be more susceptible to σ-phase precipitation; this type of precipitation occurred via two mechanisms that depended on the concentration profiles of δ-ferrite stabilizing elements induced by previou…
Phase separation in multi-component mixtures: the four-component case
2002
Abstract Calculation of ternary phase diagrams for several mixtures formed by two salts and a neutral component is presented here. The phase diagrams are obtained by inspection of the shape of the Gibbs free energy of mixing surface (Gmix) as a function of the composition at constant temperature and pressure. The Gmix surface is calculated by the mean spherical approximation (MSA). The model for the mixtures is represented by hard spheres, with the charged components interacting via a Coulomb potential. The results are interpreted in terms of a thermodynamic analysis of the contributions to the Gibbs free energy of mixing, i.e., the configurational energy, the volume and the entropy of mixi…