Ti and Nb Addition to Ni3Al: Site Preferences and Alloying Efficiency from First Principles Calculations
نویسندگان
چکیده
منابع مشابه
Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations
The thermodynamic properties of Al, Ni, NiAl, and Ni3Al were studied using the first-principles approach. The 0-K total energies are calculated using the ab initio plane wave pseudopotential method within the generalized gradient approximation. The contribution to the free energy from the lattice vibration was calculated using the phonon densities of states derived by means of the ab initio lin...
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ژورنال
عنوان ژورنال: Materials Science
سال: 2017
ISSN: 2029-7289,1392-1320
DOI: 10.5755/j01.ms.23.4.17051