TY - JOUR AU - Amouyal, Yaron AU - Mao, Zugang AU - Seidman, David N. PY - 2009// TI - 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 JO - Applied Physics Letters SP - 161909 VL - 95 IS - 16 PB - Aip KW - ab initio calculations KW - aluminium alloys KW - atom probe field ion microscopy KW - binding energy KW - hafnium alloys KW - nickel alloys KW - phase diagrams KW - superalloys KW - tomography AB - 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–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. UR - http://link.aip.org/link/?APL/95/161909/1 UR - http://arc.nucapt.northwestern.edu/refbase/files/Amouyal-2009_10700.pdf N1 - exported from refbase (http://arc.nucapt.northwestern.edu/refbase/show.php?record=10700), last updated on Mon, 26 Oct 2009 17:18:40 -0500 ID - Amouyal-2009 ER -