dc.contributor.author |
Mathabathe, Maria N
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|
dc.contributor.author |
Modiba, Rosinah
|
|
dc.contributor.author |
Bolokang, Amogelang S
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|
dc.date.accessioned |
2023-03-22T12:59:12Z |
|
dc.date.available |
2023-03-22T12:59:12Z |
|
dc.date.issued |
2021-08 |
|
dc.identifier.citation |
Mathabathe, M.N., Modiba, R. & Bolokang, A.S. 2021. The effects of quaternary alloying additions on the TiAl alloy: Preferential site occupancy, interfacial energetics to physical parameters. <i>Surfaces and Interfaces, 25.</i> http://hdl.handle.net/10204/12696 |
en_ZA |
dc.identifier.issn |
2468-0230 |
|
dc.identifier.uri |
https://doi.org/10.1016/j.surfin.2021.101173
|
|
dc.identifier.uri |
http://hdl.handle.net/10204/12696
|
|
dc.description.abstract |
The effect of Nb, Sn, Mn, and Si at a concentration of (0.3-2 at. %) on -TiAl based alloys’ preferential occupancy, interfacial energetics and mechanical properties were investigated by density functional theory (DFT) encompassed by the typical gradient estimation configuration and substantiated by experimental work. The site occupancies, elastic constants, shear and bulk modulus, B/G ratio, Poisson's ratio, hardness and universal anisotropy are systematically elucidated. The results indicated that Mn adamantly occupies Ti sites, while the Nb, Sn and Si occupy Al sites, with no significant influence on the alloy composition in-terms of their site preference. Interfacial energy of /a2-M system is the prerequisite energy to generate an interface from bulk materials. The stability criteria were satisfied attributable to Cij’s values greater than zero. The overall mechanical properties of the substitutional solid solution-TiAl alloy exhibited improved ductility. The alloy was produced by vacuum arc melting, with subsequent annealing to achieve homogeneity. The TEM results demonstrated that the a2/ interface boundaries yielded the -TiAl {111} <110>||a2-Ti3Al (0001)<110> orientation relationship. |
en_US |
dc.format |
Abstract |
en_US |
dc.language.iso |
en |
en_US |
dc.relation.uri |
https://www.sciencedirect.com/science/article/pii/S2468023021002509 |
en_US |
dc.source |
Surfaces and Interfaces, 25 |
en_US |
dc.subject |
DFT calculations |
en_US |
dc.subject |
Interface |
en_US |
dc.subject |
Site-occupancy |
en_US |
dc.subject |
Transmission Electron Microscopy |
en_US |
dc.subject |
TEM |
en_US |
dc.subject |
Titanium aluminides |
en_US |
dc.subject |
-TiAl |
en_US |
dc.title |
The effects of quaternary alloying additions on the TiAl alloy: Preferential site occupancy, interfacial energetics to physical parameters |
en_US |
dc.type |
Article |
en_US |
dc.description.pages |
13 |
en_US |
dc.description.note |
© 2021 Elsevier B.V. All rights reserved. Due to copyright restrictions, the attached PDF file only contains the abstract of the full text item. For access to the full text item, please consult the publisher's website: https://doi.org/10.1016/j.surfin.2021.101173 |
en_US |
dc.description.cluster |
Manufacturing |
en_US |
dc.description.impactarea |
Advanced Casting Technologies |
en_US |
dc.description.impactarea |
Powder Mettalurgy Technologies |
en_US |
dc.identifier.apacitation |
Mathabathe, M. N., Modiba, R., & Bolokang, A. S. (2021). The effects of quaternary alloying additions on the TiAl alloy: Preferential site occupancy, interfacial energetics to physical parameters. <i>Surfaces and Interfaces, 25</i>, http://hdl.handle.net/10204/12696 |
en_ZA |
dc.identifier.chicagocitation |
Mathabathe, Maria N, Rosinah Modiba, and Amogelang S Bolokang "The effects of quaternary alloying additions on the TiAl alloy: Preferential site occupancy, interfacial energetics to physical parameters." <i>Surfaces and Interfaces, 25</i> (2021) http://hdl.handle.net/10204/12696 |
en_ZA |
dc.identifier.vancouvercitation |
Mathabathe MN, Modiba R, Bolokang AS. The effects of quaternary alloying additions on the TiAl alloy: Preferential site occupancy, interfacial energetics to physical parameters. Surfaces and Interfaces, 25. 2021; http://hdl.handle.net/10204/12696. |
en_ZA |
dc.identifier.ris |
TY - Article
AU - Mathabathe, Maria N
AU - Modiba, Rosinah
AU - Bolokang, Amogelang S
AB - The effect of Nb, Sn, Mn, and Si at a concentration of (0.3-2 at. %) on -TiAl based alloys’ preferential occupancy, interfacial energetics and mechanical properties were investigated by density functional theory (DFT) encompassed by the typical gradient estimation configuration and substantiated by experimental work. The site occupancies, elastic constants, shear and bulk modulus, B/G ratio, Poisson's ratio, hardness and universal anisotropy are systematically elucidated. The results indicated that Mn adamantly occupies Ti sites, while the Nb, Sn and Si occupy Al sites, with no significant influence on the alloy composition in-terms of their site preference. Interfacial energy of /a2-M system is the prerequisite energy to generate an interface from bulk materials. The stability criteria were satisfied attributable to Cij’s values greater than zero. The overall mechanical properties of the substitutional solid solution-TiAl alloy exhibited improved ductility. The alloy was produced by vacuum arc melting, with subsequent annealing to achieve homogeneity. The TEM results demonstrated that the a2/ interface boundaries yielded the -TiAl {111} <110>||a2-Ti3Al (0001)<110> orientation relationship.
DA - 2021-08
DB - ResearchSpace
DP - CSIR
J1 - Surfaces and Interfaces, 25
KW - DFT calculations
KW - Interface
KW - Site-occupancy
KW - Transmission Electron Microscopy
KW - TEM
KW - Titanium aluminides
KW - -TiAl
LK - https://researchspace.csir.co.za
PY - 2021
SM - 2468-0230
T1 - The effects of quaternary alloying additions on the TiAl alloy: Preferential site occupancy, interfacial energetics to physical parameters
TI - The effects of quaternary alloying additions on the TiAl alloy: Preferential site occupancy, interfacial energetics to physical parameters
UR - http://hdl.handle.net/10204/12696
ER -
|
en_ZA |
dc.identifier.worklist |
24627 |
en_US |