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Assessment of the Re–Ta binary system
Using the CALPHAD method, the thermodynamic properties of each phase of the Re–Ta system were optimized using the experimental information on the phase diagram and the thermochemical quantities. A consistent set of parameters ...
The influence of magnetic and chemical ordering on the phase diagram of Cr–Fe–Ni
A thermodynamic dataset for the ternary system Cr–Fe–Ni which has been reported in the literature for the range from medium to high temperatures has been supplemented with datasets from the binary sub-systems at lower ...
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 ...
Thermodynamic modeling of Al–Co–Cr, Al–Co–Ni, Co–Cr–Ni ternary systems towards a description for Al–Co–Cr–Ni
The phase relations and thermodynamic properties of the Al–Co–Cr, Al–Co–Ni, Co–Cr–Ni ternary alloys are investigated using first principles calculations based on DFT (density functional theory). Their thermodynamic ...
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 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 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 ...
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 ...
Computational study of atomic mobility for bcc phase in Ti–Al–Fe system
Experimental diffusion data were critically assessed to develop the atomic mobility for the bcc phase of the Ti–Al–Fe system by using the DICTRA software. Good agreements were obtained from comprehensive comparisons made ...
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 ...