Journal of Phase Equilibria and Diffusion 

About: Journal of Phase Equilibria and Diffusion is an academic journal published by Springer Science+Business Media. The journal publishes majorly in the area(s): Phase diagram & Phase (matter). It has an ISSN identifier of 1547-7037. Over the lifetime, 1995 publications have been published receiving 17534 citations. The journal is also known as: JPED & Journal of phase equilibria & diffusion.

Reassessment of the binary Aluminum-Titanium phase diagram

Abstract: All available literature on the constitution of Ti−Al is reviewed. Based on a critical evaluation of these data the phase diagram for this system is assessed.

First-Principles Calculations and CALPHAD Modeling of Thermodynamics

Abstract: Thermodynamics is the key component of materials science and engineering. The manifestation of thermodynamics is typically represented by phase diagrams, traditionally for binary and ternary systems. Consequently, the applications of thermodynamics have been rather limited in multicomponent engineering materials. Computational thermodynamics, based on the CALPHAD approach developed in the last few decades, has released the power of thermodynamics and enabled scientists and engineers to make phase stability calculations routinely for technologically important engineering materials. Within the similar time frame, first-principles quantum mechanics technique based on density functional theory has progressed significantly and demonstrated in many cases the accuracy of predicted thermodynamic properties comparable with experimental uncertainties. In this paper, the basics of the CALPHAD modeling and first-principles calculations are presented emphasizing current multiscale and multicomponent capability. Our research results on integrating first-principles calculations and the CALPHAD modeling are discussed with examples on enthalpy of formation at 0 K, thermodynamics at finite temperatures, enthalpy of mixing in binary and ternary substitutional solutions, defect structure and lattice preference, and structure of liquid, super-cooled liquid, and glass.

The Al-Rich Part of the Fe-Al Phase Diagram

Abstract: The Al-rich part of the Fe-Al phase diagram between 50 and 80 at.% Al including the complex intermetallic phases Fe5Al8 (e), FeAl2, Fe2Al5, and Fe4Al13 was re-investigated in detail. A series of 19 alloys was produced and heat-treated at temperatures in the range from 600 to 1100 °C for up to 5000 h. The obtained data were further complemented by results from a number of diffusion couples, which helped to determine the homogeneity ranges of the phases FeAl2, Fe2Al5, and Fe4Al13. All microstructures were inspected by scanning electron microscopy (SEM), and chemical compositions of the equilibrium phases as well as of the alloys were obtained by electron probe microanalysis (EPMA). Crystal structures and the variation of the lattice parameters were studied by x-ray diffraction (XRD) and differential thermal analysis (DTA) was applied to measure all types of transition temperatures. From these results, a revised version of the Al-rich part of the phase diagram was constructed.

Experimental study of the Bi 2 O 3 -Fe 2 O 3 pseudo-binary system

Abstract: As part of a general contribution to the study of accelerator driven system (ADS) nuclear reactor feasibility, a study of the five-component system Bi-Fe-Hg-O-Pb was undertaken. New results about the quasi-binary Bi2O3-Fe2O3 are presented in this paper. The phase diagram was reinvestigated by differential scanning calorimetry, x-ray diffraction, and electron probe microanalysis. A new compound was discovered and characterized: Bi25FeO40. Its crystallographic structure was refined. Invariant and transition temperatures are given, as well as phase compositions.

Thermodynamic modeling of the Fe-S system

Abstract: A thorough review and critical evaluation of phase equilibria and thermodynamic data for all phases in the iron-sulfur (Fe-S) binary system at 1 bar pressure has been made over the entire composition range for temperatures from 25 °C to above the liquidus. The Gibbs energies of ten phases have been modeled, and optimized model parameters have been obtained that reproduce all data simultaneously within experimental error limits. For the liquid phase, the recently extended modified quasi-chemical model is applied for the first time to a liquid metal-sulfur phase. A two-sublattice model within the framework of the compound energy formalism is used for the high-temperature monosulfide pyrrhotite solution. A substitutional model is used for the dissolution of S in solid iron. The Gibbs energies of six stoichiometric compounds are also modeled.