Synthesis and physical properties of (Zr1−x,Tix)3AlC2MAX phases

Eugenio Zapata-Solvas; Mohammad  Hadi; Denis Horlait; David Parfitt; Alex Thibaud; Alexander Chroneos; William Lee

doi:10.1111/jace.14870

Synthesis and physical properties of (Zr1−x,Tix)3AlC2MAX phases

Eugenio Zapata-Solvas, Mohammad Hadi, Denis Horlait, David Parfitt, Alex Thibaud, Alexander Chroneos, William Lee

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Abstract

MAX phase solid solutions physical and mechanical properties may be tuned via changes in composition, giving them a range of possible technical applications. In the present study, we extend the MAX phase family by synthesizing (Zr1−xTix)3AlC2 quaternary MAX phases and investigating their mechanical properties using density functional theory (DFT). The experimentally determined lattice parameters are in good agreement with the lattice parameters derived by DFT and deviate <0.5% from Vegard's law. Ti3AlC2 has a higher Vickers hardness as compared to Zr3AlC2, in agreement with the available experimental data.

Original language	English
Pages (from-to)	3393-3401
Number of pages	9
Journal	Journal of the American Ceramic Society
Volume	100
Issue number	8
Early online date	21 Apr 2017
DOIs	https://doi.org/10.1111/jace.14870
Publication status	Published - Aug 2017

Bibliographical note

This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
© 2017 The Authors. Journal of the American Ceramic Society published by Wiley Periodicals, Inc. on behalf of American Ceramic Society (ACERS)

Keywords

DFT
MAX Phases
Synthesis

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10.1111/jace.14870Licence: CC BY

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Cite this

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title = "Synthesis and physical properties of (Zr1−x,Tix)3AlC2MAX phases",

abstract = "MAX phase solid solutions physical and mechanical properties may be tuned via changes in composition, giving them a range of possible technical applications. In the present study, we extend the MAX phase family by synthesizing (Zr1−xTix)3AlC2 quaternary MAX phases and investigating their mechanical properties using density functional theory (DFT). The experimentally determined lattice parameters are in good agreement with the lattice parameters derived by DFT and deviate <0.5% from Vegard's law. Ti3AlC2 has a higher Vickers hardness as compared to Zr3AlC2, in agreement with the available experimental data. ",

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AU - Zapata-Solvas, Eugenio

AU - Hadi, Mohammad

AU - Horlait, Denis

AU - Parfitt, David

AU - Thibaud, Alex

AU - Chroneos, Alexander

AU - Lee, William

N1 - This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. © 2017 The Authors. Journal of the American Ceramic Society published by Wiley Periodicals, Inc. on behalf of American Ceramic Society (ACERS)

PY - 2017/8

Y1 - 2017/8

N2 - MAX phase solid solutions physical and mechanical properties may be tuned via changes in composition, giving them a range of possible technical applications. In the present study, we extend the MAX phase family by synthesizing (Zr1−xTix)3AlC2 quaternary MAX phases and investigating their mechanical properties using density functional theory (DFT). The experimentally determined lattice parameters are in good agreement with the lattice parameters derived by DFT and deviate <0.5% from Vegard's law. Ti3AlC2 has a higher Vickers hardness as compared to Zr3AlC2, in agreement with the available experimental data.

AB - MAX phase solid solutions physical and mechanical properties may be tuned via changes in composition, giving them a range of possible technical applications. In the present study, we extend the MAX phase family by synthesizing (Zr1−xTix)3AlC2 quaternary MAX phases and investigating their mechanical properties using density functional theory (DFT). The experimentally determined lattice parameters are in good agreement with the lattice parameters derived by DFT and deviate <0.5% from Vegard's law. Ti3AlC2 has a higher Vickers hardness as compared to Zr3AlC2, in agreement with the available experimental data.

KW - DFT

KW - MAX Phases

KW - Synthesis

U2 - 10.1111/jace.14870

DO - 10.1111/jace.14870

M3 - Article

SN - 0002-7820

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JO - Journal of the American Ceramic Society

JF - Journal of the American Ceramic Society

IS - 8

ER -

Synthesis and physical properties of (Zr1−x,Tix)3AlC2MAX phases

Abstract

Bibliographical note

Keywords

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