@Article{Amouyal-2009, author="Amouyal, Yaron and Mao, Zugang and Seidman, David N.", title="Phase partitioning and site-preference of hafnium in the gamma[sup [prime]](L1[sub 2])/ gamma(fcc) system in Ni-based superalloys: An atom-probe tomographic and first-principles study", journal="Applied Physics Letters", year="2009", publisher="Aip", volume="95", number="16", pages="161909", optkeywords="ab initio calculations", optkeywords="aluminium alloys", optkeywords="atom probe field ion microscopy", optkeywords="binding energy", optkeywords="hafnium alloys", optkeywords="nickel alloys", optkeywords="phase diagrams", optkeywords="superalloys", optkeywords="tomography", abstract="Atom-probe tomography (APT) and first-principles calculations are employed to investigate the partitioning of Hf in the gamma[prime](L12)/gamma(fcc) phases in two multicomponent Ni-based superalloys. APT results indicate strong partitioning of Hf atoms to the gamma(fcc)-phase. We perform first-principles calculations of the substitutional formation energy of Hf for a model gamma(Ni)/gamma[prime](Ni3Al) system indicating Hf partitioning to the gamma[prime]-phase. Additional calculations of the Hf{\textendash}Cr binding energy suggest, however, that Cr atoms, which partition to the gamma-phase, have a strong attractive binding energy with Hf atoms, thus predicting a reversal of the Hf partitioning in favor of the gamma-phase due to alloying with Cr.", optnote="exported from refbase (http://arc.nucapt.northwestern.edu/refbase/show.php?record=10700), last updated on Mon, 26 Oct 2009 17:18:40 -0500", doi="10.1063/1.3248146", opturl="http://link.aip.org/link/?APL/95/161909/1", opturl="http://arc.nucapt.northwestern.edu/refbase/files/Amouyal-2009_10700.pdf" }