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Linking first-principles energetics to CALPHAD: An application to thermodynamic modeling of the Al-Ca binary system, , , , , и . Metallurgical and Materials Transactions A, (2005)Solute-vacancy binding in aluminum. Acta Materialia, 55 (17): 5867 - 5872 (2007)Incorporating first-principles energetics in computational thermodynamics approaches, , , и . Acta Materialia, 50 (9): 2187 - 2197 (2002)First-principles study of binary bcc alloys using special quasirandom structures, , , , и . Phys. Rev. B, 69 (21): 214202 (июня 2004)Prediction of alloy precipitate shapes from first principles, , , и . EPL (Europhysics Letters), 55 (1): 33 (2001)Predicting metastable phase boundaries in Al–Cu alloys from first-principles calculations of free energies: The role of atomic vibrations, , и . EPL (Europhysics Letters), 73 (5): 719 (2006)A combined CALPHAD/first-principles remodeling of the thermodynamics of Al-Sr: unsuspected ground state energies by "rounding up the (un)usual suspects", , , и . Acta Materialia, 52 (9): 2739 - 2754 (2004)First-principles aluminum database: Energetics of binary Al alloys and compounds, и . Phys. Rev. B, 73 (14): 144104 (апреля 2006)Short-range-order types in binary alloys: a reflection of coherent phase stability, , и . Journal of Physics: Condensed Matter, 12 (12): 2749-2768 (2000)