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  (Nbx, Zr1-x)4AlC3 MAX Phase Solid Solutions: Processing, Mechanical Properties, and Density Functional Theory Calculations

Lapauw, T., Tytko, D., Vanmeensel, K., Huang, S., Choi, P.-P., Raabe, D., et al. (2016). (Nbx, Zr1-x)4AlC3 MAX Phase Solid Solutions: Processing, Mechanical Properties, and Density Functional Theory Calculations. Inorganic Chemistry, 55(11), 5445-5452. doi:10.1021/acs.inorgchem.6b00484.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0001-B4F6-E Version Permalink: http://hdl.handle.net/21.11116/0000-0001-B4F7-D
Genre: Journal Article

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 Creators:
Lapauw, Thomas1, 2, Author              
Tytko, Darius3, Author              
Vanmeensel, Kim1, Author              
Huang, Shuigen1, Author              
Choi, Pyuck-Pa3, Author              
Raabe, Dierk4, Author              
Caspi, El’ad N.5, Author              
Ozeri, Offir6, Author              
To Baben, Moritz7, Author              
Schneider, Jochen Michael8, Author              
Lambrinou, Konstantina2, Author              
Vleugels, Jozef1, Author              
Affiliations:
1KU Leuven, Department of Materials Engineering, Kasteelpark Arenberg 44, Leuven, Belgium, persistent22              
2SCKCEN, Boeretang 200, Mol, Belgium, persistent22              
3Atom Probe Tomography, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863384              
4Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863381              
5Physics Department, Nuclear Research Centre-Negev, PO Box 9001, Beer-Sheva, Israel, persistent22              
6Reactor Department, Nuclear Research Center-Soreq, Yavne, Israel, persistent22              
7Materials Chemistry, RWTH Aachen University, Kopernikusstrasse 10, 52074 Aachen, Germany, persistent22              
8Materials Chemistry, RWTH Aachen and Max-Planck-Fellow Group, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society Düsseldorf, persistent13              

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 Abstract: The solubility of zirconium (Zr) in the Nb4AlC3 host lattice was investigated by combining the experimental synthesis of (Nbx, Zr1-x)4AlC3 solid solutions with density functional theory calculations. High-purity solid solutions were prepared by reactive hot pressing of NbH0.89, ZrH2, Al, and C starting powder mixtures. The crystal structure of the produced solid solutions was determined using X-ray and neutron diffraction. The limited Zr solubility (maximum of 18.5 of the Nb content in the host lattice) in Nb4AlC3 observed experimentally is consistent with the calculated minimum in the energy of mixing. The lattice parameters and microstructure were evaluated over the entire solubility range, while the chemical composition of (Nb0.85, Zr0.15)4AlC3 was mapped using atom probe tomography. The hardness, Young's modulus, and fracture toughness at room temperature as well as the high-temperature flexural strength and E-modulus of (Nb0.85, Zr0.15)4AlC3 were investigated and compared to those of pure Nb4AlC3. Quite remarkably, an appreciable increase in fracture toughness was observed from 6.6 ± 0.1 MPa/m1/2 for pure Nb4AlC3 to 10.1 ± 0.3 MPa/m1/2 for the (Nb0.85, Zr0.15)4AlC3 solid solution. © 2016 American Chemical Society.

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Language(s): eng - English
 Dates: 2016-06-06
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1021/acs.inorgchem.6b00484
BibTex Citekey: Lapauw20165445
 Degree: -

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Title: Inorganic Chemistry
  Abbreviation : Inorg. Chem.
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 55 (11) Sequence Number: - Start / End Page: 5445 - 5452 Identifier: ISSN: 0020-1669
CoNE: /journals/resource/0020-1669