Browsing CALPHAD Assessments by Title
Now showing items 71-90 of 103
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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) ... -
Thermodynamic analysis of the topologically close packed σ phase in the Co-Cr system
(2019-11)Density functional theory (DFT) calculations show that it is essential to consider the magnetic contribution to the total energy for the end-members of the σ phase. A more straightforward method to use the DFT results in ... -
Thermodynamic analysis of the W–Co–Cr system supported by ab initio calculations and verified with quaternary data
The present work aims at assessing the W–Co–Cr system with focus on including the ternary R-phase in the thermodynamic description. Enthalpies of formation at 0 K of all considered R-phase end-members are calculated using ... -
Thermodynamic assessment of Cr–Nb–C and Mn–Nb–C systems
In the present work, an attempt to provide thermodynamic descriptions for the Cr–Nb–C and Mn–Nb–C systems was made. Various descriptions for most of the binary systems had been already available, so a selection between ... -
Thermodynamic assessment of the Al-Ni system
The sub-lattice model is used to describe the thermodynamic behaviour of the ordered phases existing in the Al-Ni system. The model parameters are derived from an optimisation procedure using all available experimental ... -
Thermodynamic assessment of the Co-Mo system
Experimental thermochemical and phase diagram data for the Co-Mo system were assessed. A consistent thermodynamic description, using a Redlich-Kister model for the solution phases and sublattice and line-compound models ... -
Thermodynamic assessment of the Co-Ta system
(2018-12)The Co-Ta system has been reviewed and the thermodynamic description was re-assessed in the present work. DFT (density functional theory) calculations considering spin polarization were performed to obtain the energies for ... -
A thermodynamic assessment of the Ni-Al-B system
(2014-11-20)The thermodynamics of the Ni-Al-B system are assessed based on available literature data. Both the Ni-B and Al-B systems were revised to treat B as an interstitial element in a face-centered cubic structure, rather than ... -
Thermodynamic assessment of the Ni-Ti phase diagram
A new assessment of the thermodynamic properties of the stable phases of the Ni-Ti system is presented, based on the experimental thermochemical and phase diagram data from the literature. Suitable sublattice models are ... -
Thermodynamic assessment of the ordered B2 phase in the Ti–V–Cr–Al quaternary system
Thermodynamic assessment of the ordered B2 phase in the quaternary Ti–V–Cr–Al system is carried out. A set of self-consistent thermodynamic parameters is presented. A two-sublattice model (Al,Cr,Ti,V )0.5: (Al,Cr,Ti,V )0.5 ... -
Thermodynamic assessment of the ordered B2 phase in the Ti–V–Cr–Al quaternary system
Thermodynamic assessment of the ordered B2 phase in the quaternary Ti–V–Cr–Al system is carried out. A set of self-consistent thermodynamic parameters is presented. A two-sublattice model (Al,Cr,Ti,V )0.5: (Al,Cr,Ti,V )0.5 ... -
Thermodynamic Assessments of Bi-Te Bi-Se Sb-Te
The Bi-Te, Bi-Se, and Sb-Te systems have been assessed. The compounds Bi2Te3, Bi2Se3, and Sb2Te3 have been assessed using a 3 sublattice model and the intrinsic carriers of each compound have been assessed. The homologous ... -
A thermodynamic description of the Co3Cr3Ti ternary system over the entire composition and temperature range
Based on critical evaluation of the experimental phase diagram data of the Co3Cr3Ti ternary system, a thermodynamic modeling of this ternary system over the whole composition and temperature range was conducted by using ... -
A thermodynamic description of the Ni–Al–Cr–Re system
Thermodynamic properties of the Ni–Re binary system were analyzed using thermodynamic models for the Gibbs energy of individual phases of the system. The model parameters were optimized from limited experimental phase ... -
Thermodynamic Description of the Ti-Al-O System Based on Experimental Data
(2017-06-08)Phase equilibria of the TiO2-Al2O3 system were investigated experimentally using XRD, SEM/EDX and DTA methods. Temperature stability limits of the aluminum titanate (Al2TiO5) were detected. The thermodynamic parameters of ... -
Thermodynamic evaluation of the Al–V–C system
The Al–V–C system contains the two ternary compounds V2AlC and V4AlC3 which are of considerable interest for high-temperature applications. The system is so far rather sparsely investigated experimentally and melting ... -
A thermodynamic evaluation of the Co-Cr and the C-Co-Cr systems
The thermodynamic properties of the systems Co-Cr and C-Co-Cr have been analyzed with the CALPHAD technique using a computerized optimization procedure. The Gibbs Energy of the stable phases have been evaluated applying ... -
A thermodynamic evaluation of the Cr-Ni-W system
An evaluation of the Cr-Ni-W system has been made using a magnetic subregular model for the interstitial solution phases, a multi-sublattice model for the intermetallic phases and an ordinary subregular solution model for ... -
A thermodynamic evaluation of the Fe–Cr–C system
The availability of recent data on Gibbs energies of Fe7C3 and Fe23C6 based on ab initio calculations required the complete reassessment of the thermodynamic parameters in the Fe–Cr–C system. In order to perform the ...