CALPHAD Assessments: Recent submissions
Now showing items 21-40 of 103
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Thermodynamic re-modelling of the ternary Al–Cr–Ti system with refined Al–Cr description
In the present paper, the ternary Al–Cr–Ti and binary constituent Al–Cr systems are thermodynamically re-modelled based on new experimental information reported in the literature within the past few years. Few key experiments ... -
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 ... -
The Al–Fe–Mn system revisited—An updated thermodynamic description using the most recent binaries
The so-called TWinning Induced Plasticity (TWIP) steels have gained a lot of attention in the last couple of years due to their excellent mechanical properties; they show very high strength and are at the same time very ... -
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 ... -
Experimental study and thermodynamic modelling of the ternary Al–Ta–Ti system
In the present paper a thermodynamic description of the entire ternary Al–Ta–Ti system is proposed, being obtained by CALPHAD modelling. Dedicated experiments were performed in order to complement literature data on phase ... -
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 properties of the Co-W-C system
The thermodynamic properties of the Co-W-C system have been evaluated by using the CALPHAD method. The properties of the Co-C and W-C systems are taken from recent analyses, whereas the properties of the Co-W system are ... -
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 ... -
A thermodynamic evaluation of the Ti-Mo-C system
A thermodynamic assessment of the Ti-Mo-C system has been made, employing a two-sublattice regular solution model for the solid solution and carbide phases and an ordinary subregular solution model for the liquid phase. A ... -
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 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 ... -
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 modeling of the Co–Hf system supported by key experiments and first-principles calculations
Phase equilibria and thermodynamic properties of the Co–Hf system were investigated via calorimetric measurements, first-principles calculations and thermodynamic modeling. Heat contents of Co2Hf and CoHf2 were measured ... -
An improved thermodynamic modeling of the Fe–Cr system down to zero kelvin coupled with key experiments
A thermodynamic modeling of the Fe–Cr system down to 0 K is performed on the basis of our recent comprehensive review of this binary system [W. Xiong, M. Selleby, Q. Chen, J. Odqvist, Y. Du, Evaluation of phase equilibria ... -
Thermodynamic modeling of the V–Cr–Si system
In the present work, an assessment of the V–Cr–Si system was done. Mainly based on previously ternary experimental data on the isothermal section at 1200 °C and on the liquid–solid equilibria, a thermodynamic modeling of ... -
A contribution to the Ni-based mobility database: Fcc Ni–Fe–Ti ternary alloy
In order to establish a general Ni-based mobility database, diffusion couples for Ni–Fe–Ti ternary systems are prepared, all of which are annealed at 1573 K for 50 h. Interdiffusion coefficients are retrieved from the ... -
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 ... -
CALPHAD description of the Mo–Re system focused on the sigma phase modeling
The phase equilibria and thermodynamic properties of the Mo–Re system are studied by combining first-principle and CALPHAD approach. The mixing enthalpies in the bcc and hcp solution phases are estimated by first-principle ... -
Thermodynamics of Ti–Ni shape memory alloys
The thermodynamics of the Ti–Ni system are reviewed, and CALPHAD descriptions of metastable intermetallic phases are presented. These phases play an important role as precipitates in shape memory alloys. Metastable Ti3Ni4 ... -
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 ...