Browsing Computational File Repository by Subject "CALPHAD"
Now showing items 1-9 of 9
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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 ... -
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 ... -
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 ... -
Development of a Diffusion Mobility Database for Co-based Superalloys
To facilitate the development of high-temperature Co-based gamma-gamma prime superalloys, a Co-Ni based diffusion mobility database is developed for the eight component FCC (Face Centered Cubic) system of Co-Al-W-Ni-Cr-Ti-Ta-Re. ... -
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 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 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 ... -
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 ... -
Thermodynamic re-assessment of the Al-Co-W system
The Al-Co-W system and its binary sub-systems Al-Co, Al-W and Co-W were critically reviewed. The thermodynamic description of the Al-Co-W system including all three binaries was developed considering thermodynamic and ...