Temperature-dependent structural, mechanical, and thermodynamic properties of B2-phase Ti2AlNb for aerospace applications

Ti 2 AlNb intermetallic is a potential substitute for Ni-based superalloys in next-generation aerospace materials. In the current work, the structural, mechanical, and thermodynamic properties of the Ti 2 AlNb in B2 phase are studied at various temperatures by implementing first principle calculatio...

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Bibliographic Details
Published in:Journal of materials science 2022-11, Vol.57 (41), p.19553-19570
Main Authors: Goyal, Kushagra, Bera, Chandan, Sardana, Neha
Format: Article
Language:English
Subjects:
Aerospace engines
Aerospace materials
Approximation
Bulk modulus
Characterization and Evaluation of Materials
Chemistry and Materials Science
Classical Mechanics
Crystallography and Scattering Methods
Ductility
Energy
First principles
Friction welding
Heat
High temperature
Intermetallic compounds
Intermetallic phases
Investigations
Lattice vibration
Materials Science
Mathematical analysis
Metals & Corrosion
Microhardness
Microstructure
Modulus of elasticity
Nickel base alloys
Polymer Sciences
Solid Mechanics
Superalloys
Temperature
Temperature dependence
Thermal expansion
Thermodynamic properties
Thermodynamics
Turbine blades
Turbines
Vehicles
Vibration mode
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Summary:Ti 2 AlNb intermetallic is a potential substitute for Ni-based superalloys in next-generation aerospace materials. In the current work, the structural, mechanical, and thermodynamic properties of the Ti 2 AlNb in B2 phase are studied at various temperatures by implementing first principle calculations under quasi-harmonic approximations. The lattice parameter, elastic moduli, and linear coefficient of thermal expansion (CTE) are well reproduced according to the experimental reports. The intermetallic remains mechanically and dynamically stable at all temperatures. The elastic moduli and microhardness decrease slightly from 0 to 1300 K. Furthermore, the calculations reveal that Ti 2 AlNb remains ductile at all temperatures. Phonon calculations show that Nb atoms are dominant contributor to the vibrational modes. The temperature-dependent heat capacities, entropy, CTE, and isothermal bulk modulus are further investigated. Present calculations predict that the B2 phase Ti 2 AlNb is a suitable candidate for the manufacturing of high-temperature application parts such as turbine blades of aerospace engines.
ISSN:0022-2461
1573-4803
DOI:10.1007/s10853-022-07788-3