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Phase partitioning and site-preference of hafnium in the 
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(L12)/(fcc) system in Ni-based superalloys: An atom-probe tomographic and first-principles study
Appl. Phys. Lett. 95, 161909 (2009); doi:10.1063/1.3248146
Published 22 October 2009
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Atom-probe tomography (APT) and first-principles calculations are employed to investigate the partitioning of Hf in the (L12)/(fcc) phases in two multicomponent Ni-based superalloys. APT results indicate strong partitioning of Hf atoms to the (fcc)-phase. We perform first-principles calculations of the substitutional formation energy of Hf for a model (Ni)/(Ni3Al) system indicating Hf partitioning to the -phase. Additional calculations of the Hf–Cr binding energy suggest, however, that Cr atoms, which partition to the -phase, have a strong attractive binding energy with Hf atoms, thus predicting a reversal of the Hf partitioning in favor of the -phase due to alloying with Cr.
©2009 American Institute of Physics
(L12)/(fcc) phases in two multicomponent Ni-based superalloys. APT results indicate strong partitioning of Hf atoms to the (fcc)-phase. We perform first-principles calculations of the substitutional formation energy of Hf for a model (Ni)/(Ni3Al) system indicating Hf partitioning to the -phase. Additional calculations of the Hf–Cr binding energy suggest, however, that Cr atoms, which partition to the -phase, have a strong attractive binding energy with Hf atoms, thus predicting a reversal of the Hf partitioning in favor of the -phase due to alloying with Cr.
©2009 American Institute of Physics
| History: | Received 12 August 2009; accepted 16 September 2009; published 22 October 2009 |
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http://link.aip.org/link/?APPLAB/95/161909/1 |
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