The Infona portal uses cookies, i.e. strings of text saved by a browser on the user's device. The portal can access those files and use them to remember the user's data, such as their chosen settings (screen view, interface language, etc.), or their login data. By using the Infona portal the user accepts automatic saving and using this information for portal operation purposes. More information on the subject can be found in the Privacy Policy and Terms of Service. By closing this window the user confirms that they have read the information on cookie usage, and they accept the privacy policy and the way cookies are used by the portal. You can change the cookie settings in your browser.
Experiments and thermodynamic calculations were performed on five cobalt-base superalloys containing tantalum carbide and chromium carbides in order to evaluate the accuracy of thermodynamic calculations for this alloy family. The studied quantities were the solidus temperature and the phase fractions of the different carbides observed after a long exposure time at different high temperatures. The...
Thermodynamic optimizations of the Mo–Nb, Mo–Ta, and Nb–Ta binary systems were performed by considering the experimental phase diagram and thermodynamic data available from the literature. The Mo–Nb–Ta ternary system was then synthesized from the descriptions of the binary sides. The calculated thermodynamic properties as well as phase diagrams for the binary systems agree well with the experimental...
The Al–Be system is investigated via three steps. In the first step, all of the experimentally measured phase diagram and thermodynamic data available in the literature are critically reviewed. On the basis of the assessed phase diagram, in the second step, eight decisive samples are prepared by arc melting of Al and Be pieces and annealing at 600 ∘ C for eight days. Water-quenched samples...
This paper provides a consistent thermodynamic data set for the whole Cr–Nb–Ni ternary system via thermodynamic modeling. All of the experimental phase diagram data available from the literature are critically reviewed and assessed using thermodynamic models for the Gibbs energies of individual phases. The ternary liquid and (Ni) phases are described with a regular solution model. The two-sublattice...
Some alkali and alkali-earth metal hydrides and their complex hydrides have very high hydrogen storage capacities and reversibility. Unfortunately, most of them have decomposition temperatures that are too high. This must be overcome before these hydrides can be considered seriously as practical hydrogen storage materials for on-board applications. In the present study, the CALPHAD approach has been...
The Nb–Ni system is reassessed on the basis of a critical literature review involving recent experimental data. These newly published experimental data include the phase relation associated with the NbNi 8 phase, phase transition temperatures resulting from selected alloys, all invariant reaction temperatures, and enthalpies of mixing of liquid, as well as the crystallographic data on the...
Based on the CALPHAD method, the Ag–Zr and Ag–Cu systems have been assessed thermodynamically. The excess Gibbs energy of the solution phases in the Cu–Ag–Zr system was modeled assuming random mixing of components. The ternary phase was defined as a stoichiometric compound due to the lack of efficient thermodynamic data. At first, parameters capable of describing all phases in the Ag–Zr and the Ag–Cu...
The Cu–Eu and Cu–Yb binary systems have been assessed with CALPHAD method. Liquid, BCC and FCC phases are treated as substitutional solution phases, of which the excess Gibbs energies are modeled by Redlich–Kister polynomial functions. The binary intermetallic compounds are treated as stoichiometric phases. Thermodynamic parameters of various phases have been optimized and the calculated results are...
The formation behaviour of calcium zirconate (CaZrO 3 ) at the interface between the CaO–SiO 2 –MgO–CaF 2 (–ZrO 2 ) slags (B(=(mass% CaO) /(mass% SiO 2 )) = 2.0) used in the AOD converter and the MgO refractories has been computed by employing a commercial thermodynamic software. The solubility of zirconia (ZrO 2 ) in the liquid CaO–SiO 2 -7 mass%...
Gibbs energy of hcp_A3 phase in the Ag–Sn binary system has been reassessed using compatible lattice stability. Combined with previous assessments of the Ag–Au and Au–Sn binary systems, the Sn–Ag–Au ternary system has been thermodynamically optimized using the CALPHAD method on the basis of available experimental information. The solution phases including liquid, fcc_A1, hcp_A3 and bct_A5, are modeled...
This paper performs an extensive investigation for the complex Al–Fe–Ni system via key experiments and thermodynamic modeling. 12 decisive alloys are prepared with a desire to provide accurate phase relationships needed for the refinement of this ternary phase diagram. The order/disorder transitions between disordered BCC_A2 and ordered BCC_B2 phases as well as between disordered FCC_A1 and ordered...
The V–Si system is reassessed based on a critical literature review involving recently reported data and the present experimental data. These new data include the thermodynamic stability of V 6 Si 5 and the enthalpies of formation for the compounds calculated by first-principles method. Two alloys were prepared in the region of (Si)+V Si 2 and annealed at 1273 K for 14 days...
The temperature of the degenerated invariant reaction in the Cu–V system was accurately determined by means of Differential Scanning Calorimetry (DSC) measurements. On the basis of the experimental data from the present work and those critically assessed from the literature, an optimal thermodynamic data set for the Cu–V system was obtained. Significant improvements have been made, compared with the...
Experimental studies of carburisation of diffusion couples Fe/Fe–4 at.% Si, Fe/Fe–7.5 at.% Mo and Fe/Fe–20 at.% V are reported. The diffusion couples were carburised at 700 ∘ C for 10 h in a strongly carburising CO–H 2 –H 2 O–H 2 S gas mixture imposing a carbon activity aC=100. The growth of cementite at the surface of the couples was found to depend on the concentration...
The Cu–Er binary system had been thermodynamically assessed with the CALPHAD approach. The solution phases including Liquid, Fcc and Hcp were treated as substitutional solution phases, of which the excess Gibbs energies were formulated with the Redlich–Kister polynomial function. All the binary intermetallic compounds were treated as stoichiometric phases. Combining with the thermodynamic parameters...
The thermodynamic assessment of the Fe–Al–Zr ternary system was performed using the CALPHAD technique. The four published isothermal sections at 1073, 1173, 1273 and 1423 K, together with the proposed liquidus surface and the corresponding invariant reaction scheme, were taken into account. The reliability of the previous binary assessments was checked for the systems of interest, namely, for the...
A thermodynamic description for the TiO 2 –Y 2 O 3 system is performed by considering reliable literature data and newly measured phase equilibria. Using X-ray diffraction, the phase composition range and the decomposition temperature of fluorite are detected. The present description of the TiO 2 –Y 2 O 3 system yields a set of critical thermodynamic...
The Dy–Ni binary system has been thermodynamically assessed by means of the computer program Thermo-Calc. The Redlich–Kister polynomial was used to describe the solution phase, liquid (L). Ten compounds, Dy 3 Ni, Dy 3 Ni 2 , DyNi, DyNi 2 , DyNi 3 , Dy 2 Ni 7 , DyNi 4 , Dy 4 Ni 17 , DyNi 5 and Dy 2 Ni ...
Phase equilibria of the Cu–Gd and Al–Cu–Gd systems were analyzed, and a complete thermodynamic description of the system was obtained. The thermodynamic descriptions of the Al–Cu and Al–Gd systems were taken from the literature. Most of the binary intermetallic phases except Al2Gd, Cu2Gd, and Cu5Gd were treated as being without solubility in the ternary system. Based on the experimental data in the...
Thermodynamic description of the Cs–In system has been developed by the CALPHAD modeling combined with first-principles calculations. From first-principles calculations, the enthalpies of formation of CsIn 3 and Cs 2 In 3 are predicted to be −14.76 and −16.79 kJ/mol atom, respectively. With these enthalpies of formation and phase equilibrium data, Gibbs energy functions of...
Set the date range to filter the displayed results. You can set a starting date, ending date or both. You can enter the dates manually or choose them from the calendar.