Effect of alloying on elastic properties of ternary Ni-Al-Ti system: Experimental validation

• Published in: Journal of alloys and compounds Vol. 688; pp. 534 - 541
• Main Authors: Sidnov, K.P., Belov, D.S., Ponomareva, A.V., Abrikosov, I.A., Zharmukhambetova, A.M., Skripnyak, N.V., Barannikova, S.A., Rogachev, A.S., Rouvimov, S., Mukasyan, A.S.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.12.2016
• Subjects: Combustion synthesis; Ductility; First-principles simulations; Module of elasticity; NiAl-based superalloys; Ti doping; Combustion synthesis; NiAl-based superalloys; First-principles simulations; Module of elasticity; Ti doping; Ductility
• ISSN: 0925-8388; 1873-4669; 1873-4669
• DOI: 10.1016/j.jallcom.2016.07.051

Using combustion synthesis approach we fabricated B2 NiAl intermetallic compound as well as quasi-binary Ni(Al50Ti50) alloy, where half Al atoms are randomly substituted by transitional metal Ti. Young’s modulus for synthesized materials was measured and appeared to be 222 ± 10 GPa for NiAl and 175 ± 15 GPa for Ni(Al50Ti50) phases. Using first-principles simulations in the framework of the Density Functional Theory, we investigate the elastic properties of Ni(Al1−xTix) system, including single-crystal, as well as polycrystalline elastic moduli. Direct comparison of the experimental and theoretical values of the Young’s modulus demonstrates that the employed theoretical approach allows carefully predict elastic properties of NiAl-based intermetallics. In particular, we predict that alloying NiAl with Ti should increase the ductility of the intermetallic phase. •NiAl intermetallics and Ni(Al50Ti50) alloy were synthesized by combustion method.•Young’s modulus for synthesized materials was measured via micro-indentation method.•Using first-principles simulations, elastic properties of the alloys were studied.•Direct comparison of the experimental and theoretical values was accomplished.•Validation reveals that the simulations can be used for design of new super alloys.