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Vamsi, KV and Karthikeyan, S (2012) EFFECT OF OFF-STOICHIOMETRY AND TERNARY ADDITIONS ON PLANAR FAULT ENERGIES IN Ni3Al. In: 12th International Symposium on Superalloys, 09-13, 2012 , Seven Springs, PA , pp. 521-530.

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Official URL: http://dx.doi.org/10.1002/9781118516430.ch57


First principles calculations were done to evaluate the lattice parameter, cohesive energy and stacking fault energies of ordered gamma' (Ll(2)) precipitates in superalloys as a function of composition. It was found that addition of Ti and Ta lead to an increase in lattice parameter and decrease in cohesive energy, while Ni antisites had the opposite effect. Ta and Ti addition to stoichiometric Ni3Al resulted in an initial increase in the energies of APB((111)), CSF(111), APB((001)) and SISF(111). However, at higher concentrations, the fault energies decreased. Addition of Ni antisites decreased the energy of all four faults monotonically. A model based on nearest neighbor bonding was used for Ni-3(Al, Ta), Ni-3(Al, Ti) and Ni-3(Al, Ni) pseudo-binary systems and extended to pseudo- ternary Ni-3(Al, Ta, Ni) and Ni-3(Al, Ti, Ni) systems. Recipes were developed for predicting lattice parameters, cohesive energies and fault energies in pseudo- ternary systems on the basis of coefficients derived from simpler pseudobinary systems. The model predictions were found to be in good agreement with first principles calculations for lattice parameters, cohesive energies, and energies of APB((111)) and CSF(111).

Item Type: Conference Proceedings
Publisher: JOHN WILEY & SONS
Additional Information: 12th International Symposium on Superalloys, Seven Springs, PA, SEP 09-13, 2012
Keywords: First principles calculations; Stacking fault energy; Ni antisites; Titanium and Tantalum alloying
Department/Centre: Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy)
Date Deposited: 21 Oct 2013 05:32
Last Modified: 21 Oct 2013 11:38
URI: http://eprints.iisc.ac.in/id/eprint/47598

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