The Phase Stability in the Fe-B Binary System: Comparison between the Interstitial and Substitutional Models

2012 ◽  
Vol 322 ◽  
pp. 1-9 ◽  
Author(s):  
Z. Nait Abdellah ◽  
Redoune Chegroune ◽  
Mourad Keddam ◽  
B. Bouarour ◽  
L. Haddour ◽  
...  
Keyword(s):  
Binary System ◽  
Phase Diagrams ◽  
Solid Solutions ◽  
Phase Stability ◽  
Thermodynamic Stability ◽  
Thermodynamic Study ◽  
Thermodynamic Calculations ◽  
Chemical Potentials ◽  
Two Phases ◽  
Good Agreement

In the present work, a thermodynamic study was carried out in order to analyze the thermodynamic stability of the and phases in equilibrium with the phase using the calculation of phase diagrams (Calphad) formalism. The two phases and are modelled as substitutional and interstitial solid solutions of boron. The expressions of the chemical potentials ofBandFeare derived in both phases to perform the thermodynamic calculations. A comparison is made between the results provided by the substitutional and interstitial models and good agreement is observed between these two models.

Phase diagrams of the system of solid solutions Pb1-x(Li1/2La1/2)x(Zr1-yTy)O3in the vicinity of FE-AFE phase stability boundary 3. Effects caused by the coexistence of FE and AFE phases

1995 ◽  
Vol 53 (1) ◽  
pp. 23-37 ◽  
Author(s):  
V. M. Ishchuk ◽  
N. I. Ivashkova ◽  
S. V. Matveev ◽  
V. L. Sobolev ◽  
N. A. Spiridonov ◽  
...  
Keyword(s):  
Phase Diagrams ◽  
Solid Solutions ◽  
Phase Stability ◽  
Stability Boundary

Evaluation of the Thermodynamic Properties and Phase Equilibria of the Ordered γ’ and Disordered γ Phases in the Ni-Al-Ta System

2002 ◽  
Vol 755 ◽  
Author(s):  
Shihuai Zhou ◽  
Long-Qing Chen ◽  
Rebecca A. MacKay ◽  
Zi-Kui Li u
Keyword(s):  
Experimental Data ◽  
Thermodynamic Properties ◽  
Gibbs Energy ◽  
Phase Equilibria ◽  
Phase Diagrams ◽  
Gibbs Energy Function ◽  
Ternary Interaction ◽  
Two Phases ◽  
Rich Side ◽  
Good Agreement

ABSTRACTThe phase equilibria and thermodynamic properties of the ternary Ni-Al-Ta system on Ni-rich side were analyzed. Thermodynamic descriptions of the liquid, γ-fcc, γ'-L12, and π-Ni6AlTa phases were obtained using the CALPHAD (CALculation of PHase Diagrams) technique. The thermodynamics of γ-fcc and γ'-L12 phases were modeled with a single Gibbs energy function taking into account the crystallographic relation between the two phases. The ternary interaction parameters of the liquid and fcc phases were also determined. The calculated phase diagrams of the ternary Ni-Al-Ta system show a good agreement with experimental data.

The Na+, K+/CN-, I- binary systems

1990 ◽  
Vol 55 (7) ◽  
pp. 1741-1749
Author(s):  
Milan Drátovský ◽  
Bohumír Grüner ◽  
Ivan Horsák ◽  
Jiří Makovička
Keyword(s):  
Phase Diagram ◽  
Binary System ◽  
Phase Diagrams ◽  
Solid Solutions ◽  
Binary Systems ◽  
Smoothing Spline ◽  
Spline Functions ◽  
Solidus Curve

The phase diagram of the KCN-KI binary system was measured and the published phase diagrams of the KCN-NaCN, NaI-KI and NaCN-NaI systems were verified and completed. The systems form solid solutions with minima on the liquidus and solidus curves. The solid solutions in the KCN-KI system probably have a high segregation temperature, close to the solidus curve. For the four binary systems the experimental points were fitted with liquidus and solidus curves either by applying smoothing spline functions or by using two different models. The results obtained are discussed.

Isomorphous Substitutions in Luminescent Materials Based on ScVO4

2020 ◽  
Vol 865 ◽  
pp. 37-42
Author(s):  
Lyudmyla I. Ardanova ◽  
Evgeni I. Get'man ◽  
Serhii V. Radio ◽  
Ian M. Hill ◽  
Aleksey V. Ignatov
Keyword(s):  
Rare Earth ◽  
Solid Solutions ◽  
Phase Stability ◽  
Thermodynamic Stability ◽  
Earth Element ◽  
Decomposition Temperature ◽  
Luminescent Materials ◽  
Zircon Structure ◽  
Energy Theory ◽  
Selection Of

The aim of the paper is to define the limits of substitution and phase stability for solidsolutions of orthovanadates with zircon structure Sc1–xLnxVO4, where Ln is a rare-earth element(REE), Ln = Ce – Lu. The mixing energies (interaction parameters) and critical decompositiontemperatures of Sc1–xLnxVO4 solid solutions with the zircon structure were calculated using thecrystal-energy theory of isomorphous miscibility. Diagram of thermodynamic stability visualizingthe substitution limits (x) by the decomposition temperature or the decomposition temperature bythe substitution limits, the dependencies of the decomposition temperatures on the REE atomicnumbers is presented. This diagram also allows assessing areas of stability, instability, andmetastability for Sc1–xLnxVO4 solid solutions. Results of calculations were compared with literaturedata on thermodynamic stability of solid solutions and on substitution limits. The results of thisstudy can be used in the development of new luminescent materials based on ScVO4 modified withREE, in the selection of REE for matrix and activator, in defining optimal proportions of REE inSc1–xLnxVO4 matrices.

Thermodynamic analysis of phase diagrams of binary solid solutions of ascending and minimum types: Na2SO4–Ag2SO4, Ag2SO4–K2SO4, Na2SO4–K2SO4

1989 ◽  
Vol 67 (9) ◽  
pp. 1468-1471
Author(s):  
Patrick C. Dawson ◽  
E. A. Secco ◽  
William M. Oxner
Keyword(s):  
Binary System ◽  
Phase Diagrams ◽  
Thermodynamic Analysis ◽  
Solid Solutions ◽  
Condensed Phase ◽  
Solid Phase ◽  
Ionic Melts

The thermodynamic analysis of the condensed phase diagrams of binary system solid solutions of the ascending type, viz. Na2SO4–Ag2SO4 and of the minimum type, ameltrope, viz. Ag2SO4–K2SO4, Na2SO4–K2SO4 is presented. The analysis identifies the basis for ameltrope behavior and provides for the evaluation of α, the fraction of dissociation, and ΔHDiss, the enthalpy of dissociation, of the dissociating component. Keywords: alkali sulfates solid solutions, thermodynamic analysis ameltropes, molten alkali sulfates dissociation, solid–solid phase diagrams, ionic melts.

scholarly journals Theoretical and experimental study of metastable solid solutions and phase stability within the immiscible Ag-Mo binary system

2016 ◽  
Vol 119 (9) ◽  
pp. 095303 ◽  
Author(s):  
K. Sarakinos ◽  
G. Greczynski ◽  
V. Elofsson ◽  
D. Magnfält ◽  
H. Högberg ◽  
...  
Keyword(s):  
Experimental Study ◽  
Binary System ◽  
Solid Solutions ◽  
Phase Stability

Thermodynamic description of the Cu–Sn system

2007 ◽  
Vol 22 (11) ◽  
pp. 3158-3165 ◽  
Author(s):  
Wojcieh Gierlotka ◽  
Sinn-wen Chen ◽  
Shih-kang Lin
Keyword(s):  
Binary System ◽  
Thermodynamic Description ◽  
Electronics Packaging ◽  
Experimental Information ◽  
Calphad Method ◽  
Energy Models ◽  
Recent Developments ◽  
Packaging Industry ◽  
Two Phases ◽  
Good Agreement

The Cu–Sn binary system is important for various applications, especially for recent developments in the electronics packaging industry. The ϵ-Cu3Sn and η-Cu6Sn5 (η′ phases) phases are frequently encountered in electronics products. However, the two phases have been described as line compounds in previous thermodynamic modeling, and their compositional homogeneities were not considered. In this study, the thermodynamic properties of the Cu–Sn binary system are modeled and the phase diagram is calculated by the CALPHAD method, using experimental information reported in the literature. The ϵ and η (η′) phases are described using compound energy models with two and three sublattices, respectively, so that their compositional homogeneities could be calculated. Good agreement was observed between the calculated result and the existing experimental data.

The Analytical and Computational Thermodynamics of Closed Binary Systems

2008 ◽  
Vol 138 ◽  
pp. 241-282 ◽  
Author(s):  
A.L. Udovsky
Keyword(s):  
Binary System ◽  
Phase Diagrams ◽  
Newton Method ◽  
Binary Systems ◽  
Short Form ◽  
Linear Functions ◽  
Two Phase ◽  
Open Problems ◽  
Two Phases ◽  
Dimension Space

The Review. The presented results got by author in the field of analytical and computing thermodynamics of the binary systems for the last 25 years. This review includes following sections. In the first section, transition from description of the equilibrium of the phases in two-phase open binary system to description of the equilibrium of the phases in two-phase closed binary system is shown. It allows to go from problem of global minimization in five-dimension space with provision for restrictions to problem of searching for of the global minimum in 3-dimension space with provision for restrictions. The derivation of the system of equations for equilibrium of two phases in closed binary system is given in the second. The third section, different interpretations (as physical, for as geometric and chemical) for the set of the equations for two phases equilibrium for closed binary system are discussed. Analytical description of invariance for the set of equations of phase equilibrium at transformation of molar Gibbs free energies relatively algebra adding of linear functions on compositions with coefficients, which are any functions of temperature and pressure, is proved in the fourth section. The generalization of the Maxwell’s rule in conjugate coordinates for closed binary systems, which is given the fifth section, has allowed to formulate the new algorithm (U-algorithm) of the calculation of the phase diagrams. The autonomous U-algorithm unlike Newton-method (and its modifications), which is describes in the sixth section, does not require the tasks of the initial approach and possesses the square-law velocity to convergence as Newton - method. Some applications of computer programs, which bases on the U-algorithm, for calculated binary phase diagrams, including solution of indirect problems, are described in the seventh section In the eight section obtained results with comparison published papers are discussed. Finally, in the ninth section, we summarize and discuss in short form of some open problems at present and on which are received only first results.

scholarly journals Thermodynamic study of Ti-V and Al-V systems using FactSage

2006 ◽  
Vol 42 (1) ◽  
pp. 57-65 ◽  
Author(s):  
A. Kostov ◽  
D. Zivkovic ◽  
B. Friedrich
Keyword(s):  
Phase Diagrams ◽  
Binary Systems ◽  
Thermodynamic Study ◽  
Thermodynamic Calculations ◽  
Calculated Phase ◽  
Gibbs Energies ◽  
Different Temperatures ◽  
Thermodynamic Determination

Thermodynamic study of Ti-V and Al-V binary systems is presented in this paper. Investigations included thermodynamic determination of activities, coefficient of activities, partial and integral values Gibbs energies of mixing and excess energies at four different temperatures: 2000K, 2073K, 2200K and 2273K, as well as calculated phase diagrams for the investigated systems. The FactSage program was used for all thermodynamic calculations.

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