Vacancy-mediated complex phase selection in high entropy alloys

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2020-08-01
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Singh, Prashant
Gupta, Shalabh
Thimmaiah, Srinivasa
Thoeny, Bryce
Ray, Pratik
Smirnov, Andrei
Johnson, Duane
Kramer, Matthew
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Johnson, Duane
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Physics and Astronomy
Physics and astronomy are basic natural sciences which attempt to describe and provide an understanding of both our world and our universe. Physics serves as the underpinning of many different disciplines including the other natural sciences and technological areas.
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Materials Science and Engineering
Materials engineers create new materials and improve existing materials. Everything is limited by the materials that are used to produce it. Materials engineers understand the relationship between the properties of a material and its internal structure — from the macro level down to the atomic level. The better the materials, the better the end result — it’s as simple as that.
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Ames National LaboratoryPhysics and AstronomyMaterials Science and EngineeringChemical and Biological Engineering
Abstract

Phase selection in Ti-Zr-Hf-Al high-entropy alloys was investigated by in-situ high-energy X-ray diffraction, single-crystal X-ray diffraction, and density-functional theory based electronic-structure methods that address disorder and vacancies, predicting formation enthalpy and chemical short-range order (SRO). Samples with varying Al content were synthesized, characterized, and computationally assessed to ascertain the composition-dependent phase selection, as increased Al content often acts as a stabilizer of a body-centered-cubic structure. Equiatomic TiZrHfAl was especially interesting due to its observed bcc superstructure – a variant of γ-brass with 4 vacancies per cell (not 2 as in γ-brass). We highlight how vacancy ordering mediates selection of this variant of γ-brass, which is driven by vacancy-atom SRO that dramatically suppress all atomic SRO. As vacancies are inherent in processing refractory systems, we expect that similar discoveries await in other high entropy alloys or in revisiting older experimental data.

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This is a manuscript of an article published as Singh, Prashant, Shalabh Gupta, Srinivasa Thimmaiah, Bryce Thoeny, Pratik K. Ray, A. V. Smirnov, Duane D. Johnson, and Matthew J. Kramer. "Vacancy-mediated complex phase selection in high entropy alloys." 194 Acta Materialia (2020): 540-546. DOI: 10.1016/j.actamat.2020.04.063. Posted with permission.

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Wed Jan 01 00:00:00 UTC 2020
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