DFT-PBE+U plus quasiharmonic phonon calculations predict CrNbO4 and CrTaO4 remain stable to 1706 K and 1926 K before decomposing into binary oxides, with mean linear thermal expansion coefficients of 6.0e-6/K and 5.04e-6/K between 500-2000 K.
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High-throughput experiments on Al-Ti-Nb-Zr-Ta alloys identify dominant BCC and B2 phases plus Zr/Ta-rich nanoscale precipitates, with measured compositions showing systematic deviations from CALPHAD predictions.
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Temperature-dependent thermodynamic properties of CrNbO4 and CrTaO4 by first-principles calculations
DFT-PBE+U plus quasiharmonic phonon calculations predict CrNbO4 and CrTaO4 remain stable to 1706 K and 1926 K before decomposing into binary oxides, with mean linear thermal expansion coefficients of 6.0e-6/K and 5.04e-6/K between 500-2000 K.
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Phase Equilibria of the Al-Ti-Nb-Zr-Ta System
High-throughput experiments on Al-Ti-Nb-Zr-Ta alloys identify dominant BCC and B2 phases plus Zr/Ta-rich nanoscale precipitates, with measured compositions showing systematic deviations from CALPHAD predictions.