taylor-lightweightsingle-2016.pdf (2.45 MB)
A lightweight single-phase AlTiVCr compositionally complex alloy
journal contribution
posted on 2017-01-15, 00:00 authored by Y Qiu, Y J Hu, A Taylor, M J Styles, Ross MarceauRoss Marceau, A V Ceguerra, M A Gibson, Z K Liu, H L Fraser, N BirbilisA lightweight (5.06 g cm 3) AlTiVCr compositionally complex alloy consisting of four elements is presented.
Interest in the system is due to its microstructural uniformity and the use of commodity elements.
The focus of the present work was to highlight the systematic microstructural and chemical
characterization e and the information gained by application of various physical and modeling techniques
in concert e in the context of complete characterization of compositionally complex alloys.
Herein, analysis of as-cast AlTiVCr was investigated via conventional and scanning transmission electron
microscopy, revealing a simple, single-phase microstructure. Characterization was supported by atom
probe tomography and X-ray diffraction, whilst first-principles calculations based on density functional
theory (DFT) were employed to calculate the thermodynamic and structural properties of the AlTiVCr
alloy. The study was able to reveal the unique atomic locations in the alloy, whilst revealing that the B2
phase has a lower formation enthalpy ( 9.30 kJ/mol atom) and is more stable than the disordered BCC
phase ( 1.25 kJ/mol atom) at low temperatures. The study herein provides insight into the combined
analysis methods as relevant to the study of compositionally complex and high entropy alloys, indicating
means of unambiguous characterization employing generalized multicomponent short range order
analysis.
Interest in the system is due to its microstructural uniformity and the use of commodity elements.
The focus of the present work was to highlight the systematic microstructural and chemical
characterization e and the information gained by application of various physical and modeling techniques
in concert e in the context of complete characterization of compositionally complex alloys.
Herein, analysis of as-cast AlTiVCr was investigated via conventional and scanning transmission electron
microscopy, revealing a simple, single-phase microstructure. Characterization was supported by atom
probe tomography and X-ray diffraction, whilst first-principles calculations based on density functional
theory (DFT) were employed to calculate the thermodynamic and structural properties of the AlTiVCr
alloy. The study was able to reveal the unique atomic locations in the alloy, whilst revealing that the B2
phase has a lower formation enthalpy ( 9.30 kJ/mol atom) and is more stable than the disordered BCC
phase ( 1.25 kJ/mol atom) at low temperatures. The study herein provides insight into the combined
analysis methods as relevant to the study of compositionally complex and high entropy alloys, indicating
means of unambiguous characterization employing generalized multicomponent short range order
analysis.
History
Journal
Acta materialiaVolume
123Pagination
115 - 124Publisher
ElsevierLocation
Amsterdam, The NetherlandsPublisher DOI
ISSN
1359-6454Language
engPublication classification
C1 Refereed article in a scholarly journalCopyright notice
2016, Acta MaterialiaUsage metrics
Categories
Keywords
compositionally complex alloyhigh entropy alloytransmission electron microscopyatom probe tomographyx-ray diffractionfirst-principles modelingScience & TechnologyTechnologyMaterials Science, MultidisciplinaryMetallurgy & Metallurgical EngineeringMaterials ScienceHIGH-ENTROPY ALLOYSOLID-SOLUTION PHASESHORT-RANGE ORDERTHERMODYNAMIC PROPERTIESPROPERTIES OPTIMIZATIONMECHANICAL-PROPERTIESAL ADDITIONLOW-DENSITYMICROSTRUCTURE1ST-PRINCIPLESMechanical EngineeringCondensed Matter Physics
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