Heterogeneous Design. Structural diagrams of ternary systems

2003 ◽  
Vol 804 ◽  
Author(s):  
Vasily I. Lutsyk ◽  
Vera P. Vorob'eva
Keyword(s):  
Phase Diagram ◽  
Ternary Systems ◽  
Constant Mass ◽  
Structural Diagram ◽  
Concentration Triangle ◽  
Fixed Temperature

ABSTRACTIt is proposed to supplement a phase diagram by a structural diagram, which represents the mass portions of phases, conglomerates or their elements upon the system concentration at fixed temperature. Methods of structural diagrams and concentration maps construction are considered. Concentration map is a projection of structural diagram. It marks a concentration triangle by the lines of constant mass portions of a phase or its elements.

Calculation of phase diagrams and thermodynamic properties of 14 additive and reciprocal ternary systems containing Li2CO3, Na2CO3, K2CO3, Li2SO4, Na2SO4, K2SO4, LiOH, NaOH, and KOH

1984 ◽  
Vol 62 (3) ◽  
pp. 457-474 ◽  
Author(s):  
A. D. Pelton ◽  
C. W. Bale ◽  
P. L. Lin
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Properties ◽  
Molten Salt ◽  
Phase Diagrams ◽  
Binary Systems ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Ternary Systems ◽  
Maximum Error ◽  
Critical Assessment

Phase diagrams and thermodynamic properties of five additive molten salt ternary systems and nine reciprocal molten salt ternary systems containing the ions Li+, Na+, [Formula: see text], OH− are calculated from the thermodynamic properties of their binary subsystems which were obtained previously by a critical assessment of the thermodynamic data and the phase diagrams in these binary systems. Thermodynamic properties of ternary liquid phases are estimated from the binary properties by means of the Conformal Ionic Solution Theory. The ternary phase diagrams are then calculated from these thermodynamic properties by means of computer programs designed for the purpose. It is found that a ternary phase diagram can generally be calculated in this way with a maximum error about twice that of the maximum error in the binary phase diagrams upon which the calculations are based. If, in addition, some reliable ternary phase diagram measurements are available, these can be used to obtain small ternary correction terms. In this way, ternary phase diagram measurements can be smoothed and the isotherms drawn in a thermodynamically correct way. The thermodynamic approach permits experimental data to be critically assessed in the light of thermodynamic principles and accepted solution models. A critical assessment of error limits on all the calculated ternary diagrams is made, and suggestions as to which composition regions merit further experimental study are given.

Phase Diagram and Research for the Ternary System of NaCl-CsCl-H2O at 50°C

2013 ◽  
Vol 706-708 ◽  
pp. 193-196 ◽  
Author(s):  
Yong Ming Zhang ◽  
Li Chun Ma ◽  
Cheng Lin Liu ◽  
Li Fang Chen ◽  
Dong Liang Shen ◽  
...  
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Ternary System ◽  
Invariant Point ◽  
Equilibrium Phase ◽  
Ternary Systems ◽  
Practical Significance ◽  
Eutectic Type ◽  
Comprehensive Utilization ◽  
Isothermal Evaporation

The equilibria phase of the ternary systems NaCl-CsCl-H2O was studied at 50°C by the isothermal evaporation method. The equilibrium phase diagrams were plotted in line with the experimental data. It suggest that the phase diagram of NaCl-CsCl-H2O is the simple eutectic type where one invariant point is found to have the compositions of 12.3% NaCl, 54.1% CsCl and 33.6% H2O by mass, respectively. The study provide fundamental thermodynamic data of brine system that contains sodium and cesium, and has practical significance for the brine’s comprehensive utilization.

Quasicrystalline Phase Transformation in the Quaternary and Ternary Systems AlCuMnFe and AlPdMn

2011 ◽  
Vol 172-174 ◽  
pp. 941-946
Author(s):  
Jean Tristan Beauchesne ◽  
Daniel Caillard ◽  
Marianne Quiquandon ◽  
Denis Gratias
Keyword(s):  
Phase Diagram ◽  
Structural Model ◽  
Ternary Systems ◽  
Quaternary Alloy ◽  
Icosahedral Phase ◽  
Rapid Quenching ◽  
Quasicrystalline Phase ◽  
Fold Axis ◽  
Decagonal Phase ◽  
The One

An unified structural model has been devised [1] that describes both icosahedral phasesi-AlPdMn and i-AlCuFe. The model suggests that possible icosahedral structures could be found inalloys with general composition Al61:8(PdjCu)21:35(MnjFe)8:29(AljFejMn)4:28(AljCu)4:28. Applied to the systems AlCuMnFe [2] and AlPdFe [3], thisformula leads to the compositions Al66:08Cu21:35Mn8:29Fe4:28 and Al70:36Pd21:35Fe8:29 that have bothbeen synthetized by rapid quenching and annealing.The as-quenched quaternary alloy Al66:08Cu21:35Mn8:29Fe4:28 exhibits a F-icosahedral phase that trans-forms into a decagonal phase after annealing. Its 10-fold axis aligns along one of the 5-fold axes ofthe icosahedral phase. This implies a group-subgroup transformation, with the kernel group ̅5m, anal-ogous to the one observed during CFC to HCP transformations, with kernel ̅3m.The as-quenched and annealed ternary alloy Al70:36Pd21:35Fe8:29 is similar to i-AlPdMn with an iso-morphic substitution of Mn with Fe. A study of the phase diagram of the system AlPdFe [3] showsthat the results are compatible with the structural model proposed here in strong relations with thosepresented in [1] for i-AlPdMn.

Thermodynamic Calculation of Bi-Au-Lu, Nd Ternary Systems

2016 ◽  
Vol 850 ◽  
pp. 444-451
Author(s):  
Shu Liang Wang ◽  
Lu Jiang Zhou ◽  
Jia Lian Li ◽  
Xiao Hong Wang ◽  
Yuan Hua Lin ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Intermetallic Compounds ◽  
Binary Systems ◽  
Ternary Systems ◽  
Free Energies ◽  
Gibbs Energies ◽  
Solution Models ◽  
New Type ◽  
Free Solder ◽  
Kister Equation

With available melting point and hardness, the Bi-based filler alloy is considered as one choice of high-temperature Pb-free solder. Phase diagram can play an important role in the design of new type of Pb-free solder.In the present work, the thermodynamic assessments of the Au-Nd and the Au-Lu binary systems have been carried out by the Calculation of Phase Diagram (CALPHAD) method based on the available experimental data. The Gibbs free energies of the solution phases were described by subregular solution models with the Redlich-Kister equation, and those of the intermetallic compounds were described by sublattice models. A set of self-consistent and reasonable thermodynamic parameters is obtained for the binary systems, which describes the Gibbs energies of the solution phases and the intermetallic compounds phases. Additionally, combined the reported Bi-Au, Bi-Lu and Bi-Nd binary systems, the thermodynamic database of the Bi-Au-Lu and the Bi-Au-Nd ternary systems have been developed, which will provide important thermodynamic information for the phase equilibria of the multicomponent Bi-based alloy systems.

Chemical stability of CuInS2 in oxygen at 298 K

1997 ◽  
Vol 12 (2) ◽  
pp. 355-363 ◽  
Author(s):  
J. Grzanna ◽  
H. Migge
Keyword(s):  
Phase Diagram ◽  
Crystal Growth ◽  
Phase Equilibria ◽  
Chemical Stability ◽  
Quaternary System ◽  
Ternary Systems ◽  
Free Energies ◽  
Two Phase ◽  
Partial Pressures

A thermochemical analysis is performed in the quaternary system Cu–In–S–O at 298 K, including the respective four ternaries. The Cu–In phase diagram is updated with respect to the new experimental as well as to the new thermochemical results in the literature. Free energies of In6S7, In2.8S4, CuIn2, and Cu2In2O5 have been estimated. Consistent sets of data are used for the calculations of the ternary systems with the program thermo, and the results are used to calculate the quaternary tetrahedron Cu–In–S–O with the program thermoq; the algorithm is given. Twelve quaternary two-phase equilibria have been found. They are used to calculate predominance area diagrams of the quaternary system with the program stadiaq for different oxygen partial pressures. The algorithm of this program is given. From these diagrams it becomes obvious that CuInS2 is unstable in air and even in UHV systems and should react to form In2(SO4)3 and Cu2S at oxygen pressures larger than log p (pascal) = −51.5. The results are useful for research in fields such as oxidation and crystal growth of CuInS2 and for development of processes for producing this compound.

Thermodynamic Study of Ag-Au-Gd, Tb Ternary Systems

2015 ◽  
Vol 814 ◽  
pp. 313-318 ◽  
Author(s):  
Jia Lian Li ◽  
Shu Liang Wang ◽  
Lu Jiang Zhou ◽  
Xiao Hong Wang ◽  
Yuan Hua Lin ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Phase Diagrams ◽  
Binary Systems ◽  
Lattice Models ◽  
Ternary Systems ◽  
Calculated Phase Diagram ◽  
Thermodynamic Database ◽  
Filler Alloy ◽  
Free Energies ◽  
Significant Information

The addition of the rare earth elements into the Ag-based filler alloy, which is typical and important, can control and eliminate the negative effect of impurity elements, and furthermore, it improves the spreading property of the Ag-based filler alloy. Phase diagram provides an important direction for materials design of the Ag-based filler alloy. Thus it is necessary to investigate the phase diagrams and construct the thermodynamic database. On the basis of this background, thermodynamic assessments of the Au-Gd, Tb binary systems were carried out by using the CALPHAD (Calculation of Phase Diagrams) method based on the experimental data including thermodynamic properties and phase equilibrium. The Gibbs free energies of the solution phases were described by sub-regular solution models with the Redlich-Kister equation, while all of the intermetallic compounds were described by sub-lattice models. A consistent set of thermodynamic parameters was derived from describing the Gibbs free energies of each solution phase and intermetallic compound. The calculated phase diagram achieved consistency with the available experiments. Then combined with the assessed relevant binary systems, the Ag-Au-Gd, Tb ternary systems have been predicted. The thermodynamic database of these ternary systems has been developed to present the significant information for the design of Ag-based filler alloys.

Investigation of the Data-Requirement of ESTPHAD Phase Diagram Calculation Method

2015 ◽  
Vol 812 ◽  
pp. 441-446
Author(s):  
Tamás Mende ◽  
András Roósz
Keyword(s):  
Phase Diagram ◽  
Calculation Method ◽  
Material Science ◽  
Ternary Systems ◽  
Data Requirement ◽  
Exact Data ◽  
The Everyday ◽  
Binary And Ternary Systems ◽  
Development Applications

The so-called phase diagram is one of the oldest but at the same time one of the most useful method for the material science. The role of algorithms and software calculating the phase diagram have an extraordinary importance in the industrial and research-development applications because remarkable advantages can be obtained by installing these software or the detailed and exact data base developed by them into either the simulation programs or into the everyday production (process-control, checking). In our present paper, the investigation of data-requirement of calculation method of ESTPHAD phase diagram is described by processing binary-and ternary systems.

In Situ Observation of Solidification in an Organic Peritectic Alloy System

2010 ◽  
Vol 649 ◽  
pp. 159-164 ◽  
Author(s):  
J.P. Mogeritsch ◽  
Sven Eck ◽  
Monika Grasser ◽  
Andreas Ludwig
Keyword(s):  
Phase Diagram ◽  
Alloy System ◽  
Model Alloy ◽  
Fixed Temperature ◽  
Peritectic Alloy ◽  
X Ray ◽  
Dsc Measurements ◽  
Initial Alloy ◽  
In Situ Observations

Up to date very few organic substances have been reported that show a non-faceted/non-faceted (nf/nf) peritectic phase diagram in a temperature range suitable for direct observation in a micro Bridgman furnace setup. Sturz et al. [1] and Barrio et al. [2] studied the peritectic phase diagram for the organic model alloy TRIS (Tris(hydroxymenthyl)aminomethane) - NPG (Neopentylglycol). The phase diagram is based on thermal analysis by means of DSC measurements [1, 2] and evaluation of lattice parameters measured with x-ray diffractometry [2]. In the current work we present investigations on the system TRIS – NPG that have been obtained by optical investigations of directional solidification in a micro Bridgman-furnace with various initial alloy concentrations and pulling rates in a fixed temperature gradient. The phase diagram [1, 2] was confirmed by direct comparison of DSC measurements and optical investigations. Furthermore we present in situ observations of solidification in the peritectic region. They show a solidification behavior that was clearly distinguishable from the solidification in hyper- and hypoperitectic regions of the phase diagram.

Thermodynamic Calculation of the Rare Earth Permanent Magnets: Fe-RE (RE=Ho, Er, Tm, Sm) Binary Systems

2017 ◽  
Vol 898 ◽  
pp. 1042-1047
Author(s):  
M.H. Rong ◽  
X.L. Chen ◽  
Jiang Wang ◽  
S.D. Lin ◽  
G.H. Rao ◽  
...  
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Thermodynamic Properties ◽  
Thermodynamic Calculation ◽  
Binary Systems ◽  
Permanent Magnets ◽  
Ternary Systems ◽  
Calculated Phase Diagram ◽  
Experimental Information ◽  
Microstructure And Magnetic Properties

The experimental data of phase equilibria and thermodynamic properties of the Fe-RE (RE=Ho, Er, Tm, Sm) binary systems were reviewed. The previous thermodynamic calculation of the Fe-RE (RE=Ho, Er, Tm, Sm) binary systems were discussed based on the comparison of the calculated phase diagram and thermodynamic properties with the experimental data. The compared results show that more experimental information of phase diagram and thermodynamic properties in the Fe-RE (RE=Ho, Er, Tm, Sm) binary systems should be determined and then thermodynamic re-calculation of these binary systems would be performed to develop compatible and available thermodynamic database of the RE-Fe-B ternary systems. It is indispensable to study the relations between alloy compositions, microstructure and magnetic properties of novel Nd-Fe-B-based permanent magnets.

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