Browsing CALPHAD Assessments by Title
Now showing items 53-72 of 103
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In–Eu and In–Yb Thermodynamic assessments
(2013-07-08)Based on the experimental data including thermodynamic properties and phase equilibria, thermodynamic assessments of the In–Eu and In–Yb binary systems have been carried out by using the CALPHAD (Calculation of Phase ... -
Li–O Thermodynamic assessment
(2013-03-30)The Li–O system has been investigated by means of the CALPHAD approach. The phase equilibria and thermodynamic data of this system are critically reviewed and assessed. The liquid phase and two stable lithium oxides, Li2O ... -
Mg–Nd, Mg–Zn, and Mg–Nd–Zn Thermodynamic description on the miscibility gap
(2013-03-29)With the consideration of the existence of the metastable miscibility gaps, the thermodynamic parameters of the Mg-based solid solution have been assessed for the Mg–Zn and Mg–Nd systems. The new semi-empirical equation ... -
Mg–Si–Zn Experimental investigation and thermodynamic modeling
(2013-03-30)The isothermal section at 327 °C for the Mg–Si–Zn system has been determined by means of X-ray diffraction (XRD) and scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM/EDX). No ternary compound has ... -
Mn-Nb-Si Thermodynamic assessment
(2013-03-29)Based on the experimental isothermal sections at 800, 1000, 1700 and 1800 °C and the liquidus projections from both the literature and the present measurements, the ternary Nb–Si–Mo system is thermodynamically assessed ... -
Mn-Ni-Si
(2013-04-01)The Mn–Ni–Si system has been investigated via thermodynamic modeling coupled with key experiments. The isothermal section at 1000 °C of the Mn–Ni–Si system was determined by means of XRD and SEM/EDX. Based on the critically ... -
Mobility Database Pb(S,Te) System
The mobility and thermodynamics of the Pb(S,Te) have been assessed using a diffusion couple. -
Modeling of Fe–W phase diagram using first principles and phonons calculations
In the present work, new descriptions of the thermodynamic properties of the Fe–W system were established based on the Calphad approach using the PARROT module of the Thermo-Calc software. For the present work, existing ... -
Na-Doped Pb(S,Se,Te) CALPHAD Assessment
(2018-08-02)The PbX (X=S,Se,Te) system has been thermodynamically assessed. The individual binaries of the PbX system have been assessed using a two-sublattice model to describe the intrinsic carriers of the system. The 2SL model has ... -
Ni-Pb-Sb Experimental investigation and thermodynamic prediction
(2013-04-01)The phase diagram of the ternary Ni–Pb–Sb system was investigated experimentally by differential scanning calorimetry (DSC) and scanning electron microscopy (SEM) with energy dispersive spectrometry (EDS) methods, and ... -
NIST Ni-based diffusion mobility database
The NIST Ni-based diffusion mobility database was originally constructed for the fcc phase of the Ni–Al–Co–Cr–Hf–Mo–Re–Ta–Ti–W system. Diffusion data in various constituent binary systems were assessed to establish a ... -
An optimized diffusion database for the disordered and ordered bcc phases in the binary Fe–Ti system
An assessed mobility database for the disordered A2-bcc and ordered bcc-B2 phases in the binary Fe–Ti system has been constructed using the model of Helander and Ågren [T. Helander, J. Ågren, A phenomenological treatment ... -
Pd–S Thermodynamic modeling
(2013-03-29)Sulfur poisoning of PdCu membrane alloys has promoted new alloy development that requires quantitative understanding of the thermodynamics of the Pd–Cu–S system. This study attempts to develop a self-consistent thermodynamic ... -
Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations
A new thermodynamic description of the Re–Ti binary system has been developed by complimenting the CALPHAD modeling technique with first-principles calculations based on density functional theory. Finite temperature ... -
RbBr–TbBr3 Thermodynamic investigation
(2013-03-29)The thermodynamic properties and phase diagram of the RbBr–TbBr3 system were analyzed by means of the CALPHAD method in this work. Thermodynamic models were defined in order to describe the Gibbs energies of the individual ... -
Si-Sr thermodynamic reassessment
(2013-04-01)The Si–Sr binary system has been thermodynamically reassessed in the present work based on the critically reviewed experimental data available in the literature, especially newly published experimental phase diagram data ... -
Solution-based thermodynamic modeling of the Ni–Ta and Ni–Mo–Ta systems using first-principle calculations
Solution-based thermodynamic descriptions of the Ni–Ta and Ni–Mo–Ta systems are developed with supporting first-principles calculations and reported experimental data for parameter evaluation. For the Ni–Ta system, the ... -
A Study in Phase Equilibria in the Cr-Mo-Ni System
A thermodynamic evaluation of the Cr-Mo-Ni system has been performed using a computerized optimization procedure . Parameters describing the Gibbs energy of the various phases have been calculated. The intermetallic phases ... -
Ta-V Thermodynamic modeling of Laves phases
(2013-03-29)The Ta–V system is an interesting system exhibiting the existence of Laves phases among elements of the same group in the periodic system, and with an unusual order of stability of Laves phase structures at 0 K. Whereas ... -
Thermodynamic analysis of the Co–Cr–C system
A reassessment of the thermodynamic description of the Co–Cr–C system was performed to take into account recent experimental information on the solubility of Co in Cr-based carbides. Density Functional Theory (DFT) ...