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The increasing demands for biological hard tissue replacements (HTR) press on the development of biomedical implant materials with good biological and mechanical compatibility. Three criteria of screening promising alloy compositions for bio-medical application were proposed: (1). High thermodynamic stability of biological compatible phase to avoid β_bcc→α_hcp and β_bcc→αʹ_hexagonal transformations...
This paper concerns a Calphad database that was developed to describe precipitation of cubic carbides and nitrides (V, Nb and Ti) in high manganese steels and to describe phase equilibria in high manganese steels with high aluminium content. The database has also been shown to be useful for calculations on medium manganese steels and low-density steels with varying aluminium additions. Thus the database...
Phase relationships in the Ge-Mn-Ti ternary system have been studied through alloy samples approach. Assisted with Electron Probe Microanalysis (EPMA) and X-ray diffraction (XRD) techniques, isothermal sections at 973K, 1073K and 1173K of this system were constructed and existence of 2 ternary phases, i.e. GeMnTi and Ge2MnTi, were confirmed. In addition, remarkable ternary solubilities in some binary...
The effect of red mud on the melting behavior of ferronickel slag was investigated in a laboratory-scale horizontal tube furnace. Melting and softening of slag samples fluxed with different amounts of red mud were examined by an in-situ visualization technique in the temperature ranges from 1673K to 1823K. FactSage™ 7.0 was used to perform thermodynamic calculations of the multi-component system of...
The Fe-Si system has been studied extensively due to its importance in steelmaking and electrical-magnetic applications. Thermodynamic and phase diagram data of the Fe-Si system available in the literature were critically evaluated and re-optimized to improve the thermodynamic description of this system. Two sets of optimized model parameters were obtained to reproduce the available and reliable literature...
The Ca–Cr–Cu–Fe–Mg–Mn–S system has been thermodynamically assessed using all available experimental data. The thermodynamic description of the high-temperature phase Chromium and Iron Pyrrhotite is described using a two-sublattice model which allows the description of the stability range of this phase in the binary Fe–S and Cr–S systems and also the solubility of such elements as Cu, Mg and Mn in...
The Ca-V-O system is studied with an emphasis on the following oxide sub-systems: CaO-V2O5, CaO-V2O3, V2O5-CaV2O5 and CaO-V2O5-VO2. The aim of the present assessment is to obtain a thermodynamic description of the Ca-V-O system. The compound energy formalism was used to describe the liquid by applying the ionic two-sublattice model and the β-bronze phase CaxV2O5 (0.17≤x≤0.33) using a three-sublattice...
Based on the recently developed numerical inverse method, high-throughput measurement of the composition-dependent interdiffusivity matrices in the bcc_A2 Fe-Mn-Si alloys at 1173, 1273 and 1373K was performed in the present work. To verify the reliability of the presently determined interdiffusivities, the ternary interdiffusivities evaluated by the traditional Matano-Kirkaldy method at the intersection...
All the thermodynamic and phase diagram information available in the literature on the Cu-Cr system, Cu-Fe-Cr system, and Cu-Fe-Mn system were critically evaluated and used in the thermodynamic optimization to obtain a set of consistent thermodynamic model parameters for the systems. The liquid solutions for the Cu-Cr, Cu-Mn, Fe-Cr, Cu-Fe-Cr, and Cu-Fe-Mn systems were described using the Modified...
Thermodynamic modelling of the Cr-Nb-Si ternary system is revised considering new findings in the binary Cr-Nb and extension to multicomponent systems. Thermodynamic model parameters of intermetallic phases are re-optimized based on density functional theory (DFT) calculations and experimental data. Particular attention was given to the transformations of Laves phase polytypes (i.e. C14 and C15)....
Comprehensive literature review, critical re-assessment and thermodynamic re-optimization of phase diagrams and thermodynamic properties of all phases have been carried out for the CaO–FeO–Fe2O3–SiO2 system. Thermodynamic assessments of this system were previously published, however some of them were incomplete or described only limited range of compositions. In addition, more recent important experimental...
Three compositions of the {Ni–25Cr–0.25 or 0.50C–1 or 2Ti}-type were studied by thermodynamic calculations for anticipating their melting temperature ranges and their microstructures at 1200°C. In parallel the corresponding alloys were synthesized by classical foundry and subjected to Differential Thermal Analysis and exposures at 1200°C followed by metallographic characterization. Calculations and...
Based on the experimental equilibrium data on spinodal decomposition in the literature together with the newly measured data in the present work, a complete metastable phase diagram for the pseudo-binary c–TiN/c-AlN system was constructed for the first time, from which a self-consistent thermodynamic description was then established by means of CALculation of PHAse Diagram (CALPHAD) method with the...
The Ca-Cr-Cu-Fe-Mg-Mn-S system has been thermodynamically assessed using all available experimental data. Sulfur is introduced into the thermodynamic description of 8 solid solution phases such as Thiospinel, Digenite, Oldhamite, Cu2S-I, Cu2S-II, Pyrrhotite, Brezinaite, Chalcopyrite-HT using available experimental information. Particular attention was given to the phase Pyrrhotite which forms at high...
The equilibrium phase diagram of a Cu-Pd alloy has been computed using cluster expansion and Monte Carlo simulation methods combined with density functional theory. The computed phase boundaries show basic features that are consistent with the experimentally reported phase diagram. Without vibrational free energy contributions, the order-disorder transition temperature is underestimated by 100K and...
Isothermal sections of the Ti-Co-Zr ternary system at 1073K and 1173K were determined using Ti-Co-Zr diffusion triples and equilibrated alloys with optical microscopy (OM), X-ray diffraction (XRD), scanning electron microscope (SEM) and electron probe micro-analysis (EPMA) techniques. A unknown ternary phase with composition of ~Ti31.3Co37.9Zr30.8 was observed to be stable at both 1073K and 1173K...
The exponential model for the temperature (T) dependence of the excess Gibbs energy of liquid solutions within the framework of the Redlich-Kister polynomials is proven to be an efficient tool to avoid high-T artefacts, such as an artificial inverted miscibility gap, caused by the linear model. However, it has been claimed that the exponential model can lead to a low-T artefact, i.e. to the artificial...
Phase relations in the Al-Co-Y ternary system at 1173K have been established by means of scanning electron microscopy (SEM), electron probe microanalysis (EPMA) and X-ray diffraction (XRD) techniques. Isothermal section at 1173K of this system was constructed, which consists of 27 three-phase regions and 50 two-phase regions (27wider+23line). The ternary compound τ5-AlCo2Y2 has been confirmed to exist...
In support of the continuous scientific and industrial need for accessible and high-quality thermophysical property data for metals and alloy systems, NIST/TRC is expanding its data archiving and critical evaluation activities to include this area. As part of this effort, a new data-capture software tool was developed. The new tool is described here in detail, including a list of supported properties,...
Phase equilibria in the Ag–Ga–Sn ternary system have been studied experimentally by using differential thermal analysis (DTA), scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDS) and X-ray diffraction (XRD). Three vertical sections (Ag–Ga50Sn50, Ga–Ag50Sn50 and Sn–Ag50Ga50) and one isothermal section at 100°C were experimentally established. Based on available information...
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