A revised regular solution-type thermodynamic model for twelve-component silicate liquids in the system SiO2-TiO2-Al2O3-Fe2O3-Cr2O3-FeO-MgO-CaO-Na2O-K2O-P2O5-H2O is calibrated. The model is referenced to previously published standard state thermodynamic properties and is derived from a set of internally consistent thermodynamic models for solid solutions of the igneous rock forming minerals, including: (Mg,Fe2+,Ca)-olivines, (Na,Mg,Fe2+,Ca)M2 (Mg,Fe2+, Ti, Fe3+, Al)M1 (Fe3+, Al,Si)2TETO6-pyroxenes, (Na,Ca,K)-feldspars, (Mg,Fe2+) (Fe3+, Al, Cr)2O4-(Mg,Fe2+)2 TiO4 spinels and (Fe2+, Mg, Mn2+)TiO3-Fe2O3 rhombohedral oxides. The calibration utilizes over 2,500 experimentally determined compositions of silicate liquids coexisting at known temperatures, pressures and oxygen fugacities with apatite ±feldspar ±leucite ±olivine ±pyroxene ±quartz ±rhombohedral oxides ±spinel ±whitlockite ±water. The model is applicable to natural magmatic compositions (both hydrous and anhydrous), ranging from potash ankaratrites to rhyolites, over the temperature (T) range 900°–1700°C and pressures (P) up to 4 GPa. The model is implemented as a software package (MELTS) which may be used to simulate igneous processes such as (1) equilibrium or fractional crystallization, (2) isothermal, isenthalpic or isochoric assimilation, and (3) degassing of volatiles. Phase equilibria are predicted using the MELTS package by specifying bulk composition of the system and either (1) T and P, (2) enthalpy (H) and P, (3) entropy (S) and P, or (4) T and volume (V). Phase relations in systems open to oxygen are determined by directly specifying the fo2 or the T-P-fo2 (or equivalently H-P-fo2, S-P-fo2, T-V-fo2) evolution path. Calculations are performed by constrained minimization of the appropriate thermodynamic potential. Compositions and proportions of solids and liquids in the equilibrium assemblage are computed.

Chemical mass transfer in magmatic processes IV. A revised and internally consistent thermodynamic model for the interpolation and extrapolation of liquid-solid equilibria in magmatic systems at elevated temperatures and pressures

https://zirconia.typepad.com/files/zirconia-as-a-ceramic-biomaterial---piconi---biomaterials-1999.pdf

Zirconia as a ceramic biomaterial

Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction

Use of CeO2-based oxides in the three-way catalysis

The theory of phase separation from a single phase fluid by a spinodal mechanism is given. The predicted structure may be described in terms of a superpositioning of sinusoidal composition modulations of a fixed wavelength, but random in amplitude, orientation, and phase. Sections through a calculated structure are shown. These show that the structure has many of the geometrical features found in phase separable glasses, in particular the high degree of connectivity among particles of each phase.

Phase Separation by Spinodal Decomposition in Isotropic Systems

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Phase diagrams for ceramists

The following new or updated patterns are submitted by the JCPDS Research Associateship at the National Bureau of Standards. The patterns are a continuation of the series of standard X-ray diffraction powder patterns published previously in the NBS Circular 539, the NBS Monograph 25, and in this journal. The methods of producing these reference patterns are described in this journal, Vol. 1, No. 1, p. 40 (1986).The data for each phase apply to the specific sample described. A sample was mixed with one or two internal standards: silicon (SRM640a), silver, tungsten, or fluorophlogopite (SRM675). Expected 2-theta values for these standards are specified in the methods described (ibid.). Data, from which the reported 2-theta values were determined, were measured with a computer controlled diffractometer. Computer programs were used to locate peak positions and calibrate the patterns as well as to perform variable indexing and least squares cell refinement. A check on the overall internal consistency of the data was also provided by a computer program.

https://www.cambridge.org/core/services/aop-cambridge-core/content/view/CEC2D555142C5675F8DF5E52747FBF47/S0885715600012045a.pdf/div-class-title-standard-x-ray-diffraction-powder-patterns-from-the-jcpds-research-associateship-div.pdf

Standard X-Ray Diffraction Powder Patterns from The JCPDS Research Associateship

Phase diagrams for ceramists 1975 Supplement

Patterns useful for identification are obtained by automated diffractometer methods. The lattice constants from the experimental work are refined by least-squares methods; reflections are assigned hkl indices consistent with space group extinctions. Relative intensities, calculated densities, literature references, and other relevant data are included.

Howard F. McMurdie

Papers

Phase diagrams for ceramists

Standard X-Ray Diffraction Powder Patterns from The JCPDS Research Associateship

Phase diagrams for ceramists 1975 Supplement

Methods of Producing Standard X-Ray Diffraction Powder Patterns

Phase diagrams for ceramists 1969 Supplement