The computer algorithm and program for the generation of phase stability diagrams

Calphad ◽  
1990 ◽  
Vol 14 (3) ◽  
pp. 257-264 ◽  
Author(s):  
C.R. Wang ◽  
Z.B. Zhao ◽  
S.K. Xia ◽  
W.Q. Zhang ◽  
R.Z. Zhu
Keyword(s):  
Phase Stability ◽  
Computer Algorithm ◽  
Stability Diagrams

scholarly journals Thermodynamic analysis of copper(I) sulfide chlorination by calcium chloride in the presence of oxygen

1999 ◽  
Vol 64 (5-6) ◽  
pp. 365-374 ◽  
Author(s):  
Rajko Vracar ◽  
Katarina Cerovic
Keyword(s):  
Calcium Chloride ◽  
Thermodynamic Analysis ◽  
Chemical Reactions ◽  
Phase Stability ◽  
Log P ◽  
Temperature Range ◽  
Stability Diagrams

This paper presents a thermodynamic analysis of possible, but insufficiently studied, chemical reactions occurring during the chlorination of copper(I) sulfide by calcium chloride in the presence of oxygen. It formed the basis for assessing the probability and priority of their occurrence. Phase stability diagrams have been plotted for the Cu-S-O-Cl system in the coordinates log p(S2)-log p(O2)-log p(Cl2) in the temperature range from 473 to 773 K.

scholarly journals Phase Stability Diagrams for High Temperature Corrosion Processes

2013 ◽  
Vol 2013 ◽  
pp. 1-7 ◽  
Author(s):  
J. J. Ramos-Hernandez ◽  
J. Porcayo-Calderon ◽  
V. M. Salinas-Bravo ◽  
C. D. Arrieta-Gonzalez ◽  
J. G. Gonzalez-Rodriguez ◽  
...  
Keyword(s):  
High Temperature ◽  
Phase Stability ◽  
Fossil Fuels ◽  
Chemical Species ◽  
Data Bases ◽  
Fused Salts ◽  
Stability Diagrams ◽  
Different Types ◽  
Vanadium Salts ◽  
Engineering Alloys

Corrosion phenomena of metals by fused salts depend on chemical composition of the melt and environmental conditions of the system. Detail knowledge of chemistry and thermodynamic of aggressive species formed during the corrosion process is essential for a better understanding of materials degradation exposed to high temperature. When there is a lack of kinetic data for the corrosion processes, an alternative to understand the thermodynamic behavior of chemical species is to utilize phase stability diagrams. Nowadays, there are several specialized software programs to calculate phase stability diagrams. These programs are based on thermodynamics of chemical reactions. Using a thermodynamic data base allows the calculation of different types of phase diagrams. However, sometimes it is difficult to have access to such data bases. In this work, an alternative way to calculate phase stability diagrams is presented. The work is exemplified in the Na-V-S-O and Al-Na-V-S-O systems. This system was chosen because vanadium salts is one of the more aggressive system for all engineering alloys, especially in those processes where fossil fuels are used.

Phase stability diagrams for complex alloys

1977 ◽  
Vol 8 (6) ◽  
pp. 1008-1009 ◽  
Author(s):  
R. O. Williams
Keyword(s):  
Phase Stability ◽  
Stability Diagrams

Phase chemistry in the Ti-Si-N system: Thermochemical review with phase stability diagrams

1994 ◽  
Vol 9 (9) ◽  
pp. 2362-2369 ◽  
Author(s):  
S. Sambasivan ◽  
W.T. Petuskey
Keyword(s):  
Phase Stability ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Current Knowledge ◽  
Thermodynamic Activity ◽  
Accurate Information ◽  
Stability Diagrams ◽  
Phase Compatibility ◽  
The Stability ◽  
Phase Chemistry

The phase chemistry and thermodynamics of the Ti-Si-N system are reviewed leading to a revision of the ternary phase diagram at 1273 K to include the extended compositional ranges of δ-TiNx and Ti5Si3(Ny) and the compounds Ti3Si, Ti5Si4, and α-Ti. This same information is presented in the form of phase stability diagrams which plot the stability criteria for each phase as a function of thermodynamic activity of one component and the relative composition of the other two components. Plots in terms of log asi vs Ti/(Ti + N), log aN2 vs Si/(Ti + Si), and log aTi vs N/(Si + N) were constructed. All diagrams are consistent with current knowledge of phase compatibility and, therefore, are topologically correct. Further refinement will be possible as more accurate information on thermodynamics and compositional limits of solid solutions becomes available.

Structural Stability Diagrams for Thin-Film Multilayers

1997 ◽  
Vol 481 ◽  
Author(s):  
S. A. Dregia ◽  
R. Banerjee ◽  
H. L. Fraser
Keyword(s):  
Thin Film ◽  
Phase Diagram ◽  
Structural Stability ◽  
Phase Stability ◽  
Degrees Of Freedom ◽  
Two Degrees Of Freedom ◽  
Stability Diagrams ◽  
Interfacial Energies ◽  
New Type ◽  
Classical Thermodynamics

ABSTRACTStructural stability in thin-film multilayers is described in terms of classical thermodynamics, involving the competition between bulk and interfacial energies. A new type of phase diagram is introduced, the biphase diagram, in which concurrent phase stabilities are mapped as a function of two degrees of freedom, corresponding to two independent layer thicknesses in a periodic multilayer. The model is used to explain our observations of phase stabilities in Al/Ti multilayers, as a function of varying layer thicknesses. The model is also applied to explain the experimental observations made by other investigators on phase stability in Co/Cr thin-film multilayers.

Program for the calculation and construction of isothermal phase stability diagrams

1993 ◽  
Vol 17 (3) ◽  
pp. 277-281 ◽  
Author(s):  
Jindřich Leitner ◽  
Petr Voňka ◽  
Vladimír Glaser
Keyword(s):  
Phase Stability ◽  
Stability Diagrams

A Comparison of Pseudomorphic Bcc Phase Stability in Zr/Nb and Ti/Nb Thin Film Multilayers

2004 ◽  
Vol 19 (3) ◽  
pp. 707-715 ◽  
Author(s):  
G.B. Thompson ◽  
R. Banerjee ◽  
S.A. Dregia ◽  
M.K. Miller ◽  
H.L. Fraser
Keyword(s):  
Phase Stability ◽  
Volume Fraction ◽  
Stability Boundary ◽  
Atom Probe ◽  
Bilayer Thickness ◽  
X Ray ◽  
Stability Diagrams ◽  
Phase Stabilization ◽  
Sputter Deposited ◽  
Bcc Phase

A series of Nb-rich Zr/Nb and Ti/Nb multilayers were sputter deposited. Upon a reduction in thickness, a pseudomorphic bcc phase was stabilized in the Zr and Ti layers. X-ray and electron diffraction techniques were used to confirm these phase transformations. The change in phase stability was modeled by the competition between volumetric and interfacial components of the total free energy of a unit bilayer representing the multilayer. An outcome of this model is the ability to plot phase stability diagrams for multilayers, referred to as biphase diagrams, as a function of bilayer thickness and volume fraction. A comparison of the phase stability boundary between hcp/bcc and bcc/bcc for these two systems has shown that the bcc Ti’s pseudomorphic phase stabilization is maintained for a much larger layer thickness as compared to Zr. Atom probe compositional profiles of the Ti/Nb multilayers have indicated that the Nb layers interdiffused into the Ti layers thus helping to facilitate the bcc Ti phase stability in the Ti/Nb multilayers.

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