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Phase-partitioning and site-substitution patterns of molybdenum in a model Ni-Al-Mo superalloy: An atom-probe tomographic and first-principles study
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10.1063/1.4753929
/content/aip/journal/apl/101/12/10.1063/1.4753929
http://aip.metastore.ingenta.com/content/aip/journal/apl/101/12/10.1063/1.4753929

Figures

Image of FIG. 1.
FIG. 1.

3-D atom-probe tomographic reconstruction and the elemental concentration profiles across the γ/γ′ interface of aNi-6.5Al-9.8Mo at. % alloy aged at 978 K for 1024 h. (a) The γ′-precipitates are displayed via iso-concentration surfaces of Al-10.43 at. % (red). (b) The elemental concentration profiles across the γ/γ′ interface. Al (red) partitions to the γ′-precipitates, while Mo (purple) partitions to the γ-matrix.

Image of FIG. 2.
FIG. 2.

Experimental partial RDF vs. radial distance, r, out to the seventh nearest-neighbor distance in a γ′-precipitate for Ni-6.5Al-9.8Mo at. %, after aging for 1024 h at 978 K. The partial RDF values <1 and >1 at the first NN distances for the Al-Al, Al-Mo, and Al-Ni plots establish the presence of L12-order.

Image of FIG. 3.
FIG. 3.

The substitutional formation energies of Mo atoms as a function of distance from the γ(f.c.c.)/γ′(L12) heterophase interface from first-principles calculations for a γ(Ni)/γ′(Ni3Al) system.

Tables

Generic image for table
Table I.

Mo substitutional energies, average atomic forces, and atomic displacements of the first nearest-neighbors: (For this calculation, x = 0.042 and y = 0.125).

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/content/aip/journal/apl/101/12/10.1063/1.4753929
2012-09-19
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Phase-partitioning and site-substitution patterns of molybdenum in a model Ni-Al-Mo superalloy: An atom-probe tomographic and first-principles study
http://aip.metastore.ingenta.com/content/aip/journal/apl/101/12/10.1063/1.4753929
10.1063/1.4753929
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