Experimental and predicted mechanical properties of Cr 1-x AI x N thin films, at high temperatures, incorporating in situ synchrotron radiation X-ray diffraction and computational modelling

Ehsan Mohammadpour, Zhong Tao Jiang, Mohmmednoor Altarawneh, Nicholas Mondinos, M. Mahbubur Rahman, H. N. Lim, N. M. Huang, Zonghan Xie, Zhi Feng Zhou, Bogdan Z. Dlugogorski

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Abstract

Cr 1-x Al x N coatings, synthesised by an unbalanced magnetic sputtering system, showed improved microstructure and mechanical properties for ∼14-21% Al content. In situ SR-XRD analysis indicated various crystalline phases in the coatings that included: CrN, AlN, α-Cr with small amounts of AlO 2 and Al 2 O 3 over the 25-700 °C range. Al doping improves resistance to crystal growth, stress release and oxidation resistance of the coatings. Al doping also enhances the coating hardness (H) from 29 to 42 GPa, elastic modulus (E) from 378 to 438 GPa and increased the resistance to deformation. First-principles and quasi-harmonic approximation (QHA) studies on bulk CrN and AlN were incorporated to predict the thermo-elastic properties of Cr 1-x Al x N thin film coatings in the temperature range of 0-1500 °C. The simulated results at T = 1500 °C give a predicted hardness of H = ∼41.5 GPa for a ∼21% Al doped Cr 1-x Al x N coating.

Original languageEnglish
Pages (from-to)22094-22104
Number of pages11
JournalRSC Advances
Volume7
Issue number36
Early online date20 Apr 2017
DOIs
Publication statusPublished - 2017
Externally publishedYes

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Synchrotron radiation
X ray diffraction
Thin films
Coatings
Mechanical properties
Temperature
Hardness
Doping (additives)
Oxidation resistance
Crystallization
Crystal growth
Sputtering
Elastic moduli
Crystalline materials
Microstructure

Cite this

Mohammadpour, Ehsan ; Jiang, Zhong Tao ; Altarawneh, Mohmmednoor ; Mondinos, Nicholas ; Rahman, M. Mahbubur ; Lim, H. N. ; Huang, N. M. ; Xie, Zonghan ; Zhou, Zhi Feng ; Dlugogorski, Bogdan Z. / Experimental and predicted mechanical properties of Cr 1-x AI x N thin films, at high temperatures, incorporating in situ synchrotron radiation X-ray diffraction and computational modelling. In: RSC Advances. 2017 ; Vol. 7, No. 36. pp. 22094-22104.
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title = "Experimental and predicted mechanical properties of Cr 1-x AI x N thin films, at high temperatures, incorporating in situ synchrotron radiation X-ray diffraction and computational modelling",
abstract = "Cr 1-x Al x N coatings, synthesised by an unbalanced magnetic sputtering system, showed improved microstructure and mechanical properties for ∼14-21{\%} Al content. In situ SR-XRD analysis indicated various crystalline phases in the coatings that included: CrN, AlN, α-Cr with small amounts of AlO 2 and Al 2 O 3 over the 25-700 °C range. Al doping improves resistance to crystal growth, stress release and oxidation resistance of the coatings. Al doping also enhances the coating hardness (H) from 29 to 42 GPa, elastic modulus (E) from 378 to 438 GPa and increased the resistance to deformation. First-principles and quasi-harmonic approximation (QHA) studies on bulk CrN and AlN were incorporated to predict the thermo-elastic properties of Cr 1-x Al x N thin film coatings in the temperature range of 0-1500 °C. The simulated results at T = 1500 °C give a predicted hardness of H = ∼41.5 GPa for a ∼21{\%} Al doped Cr 1-x Al x N coating.",
author = "Ehsan Mohammadpour and Jiang, {Zhong Tao} and Mohmmednoor Altarawneh and Nicholas Mondinos and Rahman, {M. Mahbubur} and Lim, {H. N.} and Huang, {N. M.} and Zonghan Xie and Zhou, {Zhi Feng} and Dlugogorski, {Bogdan Z.}",
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language = "English",
volume = "7",
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Mohammadpour, E, Jiang, ZT, Altarawneh, M, Mondinos, N, Rahman, MM, Lim, HN, Huang, NM, Xie, Z, Zhou, ZF & Dlugogorski, BZ 2017, 'Experimental and predicted mechanical properties of Cr 1-x AI x N thin films, at high temperatures, incorporating in situ synchrotron radiation X-ray diffraction and computational modelling', RSC Advances, vol. 7, no. 36, pp. 22094-22104. https://doi.org/10.1039/c7ra00342k

Experimental and predicted mechanical properties of Cr 1-x AI x N thin films, at high temperatures, incorporating in situ synchrotron radiation X-ray diffraction and computational modelling. / Mohammadpour, Ehsan; Jiang, Zhong Tao; Altarawneh, Mohmmednoor; Mondinos, Nicholas; Rahman, M. Mahbubur; Lim, H. N.; Huang, N. M.; Xie, Zonghan; Zhou, Zhi Feng; Dlugogorski, Bogdan Z.

In: RSC Advances, Vol. 7, No. 36, 2017, p. 22094-22104.

Research output: Contribution to journal › Article › Research › peer-review

TY - JOUR

T1 - Experimental and predicted mechanical properties of Cr 1-x AI x N thin films, at high temperatures, incorporating in situ synchrotron radiation X-ray diffraction and computational modelling

AU - Mohammadpour, Ehsan

AU - Jiang, Zhong Tao

AU - Altarawneh, Mohmmednoor

AU - Mondinos, Nicholas

AU - Rahman, M. Mahbubur

AU - Lim, H. N.

AU - Huang, N. M.

AU - Xie, Zonghan

AU - Zhou, Zhi Feng

AU - Dlugogorski, Bogdan Z.

PY - 2017

Y1 - 2017

N2 - Cr 1-x Al x N coatings, synthesised by an unbalanced magnetic sputtering system, showed improved microstructure and mechanical properties for ∼14-21% Al content. In situ SR-XRD analysis indicated various crystalline phases in the coatings that included: CrN, AlN, α-Cr with small amounts of AlO 2 and Al 2 O 3 over the 25-700 °C range. Al doping improves resistance to crystal growth, stress release and oxidation resistance of the coatings. Al doping also enhances the coating hardness (H) from 29 to 42 GPa, elastic modulus (E) from 378 to 438 GPa and increased the resistance to deformation. First-principles and quasi-harmonic approximation (QHA) studies on bulk CrN and AlN were incorporated to predict the thermo-elastic properties of Cr 1-x Al x N thin film coatings in the temperature range of 0-1500 °C. The simulated results at T = 1500 °C give a predicted hardness of H = ∼41.5 GPa for a ∼21% Al doped Cr 1-x Al x N coating.

AB - Cr 1-x Al x N coatings, synthesised by an unbalanced magnetic sputtering system, showed improved microstructure and mechanical properties for ∼14-21% Al content. In situ SR-XRD analysis indicated various crystalline phases in the coatings that included: CrN, AlN, α-Cr with small amounts of AlO 2 and Al 2 O 3 over the 25-700 °C range. Al doping improves resistance to crystal growth, stress release and oxidation resistance of the coatings. Al doping also enhances the coating hardness (H) from 29 to 42 GPa, elastic modulus (E) from 378 to 438 GPa and increased the resistance to deformation. First-principles and quasi-harmonic approximation (QHA) studies on bulk CrN and AlN were incorporated to predict the thermo-elastic properties of Cr 1-x Al x N thin film coatings in the temperature range of 0-1500 °C. The simulated results at T = 1500 °C give a predicted hardness of H = ∼41.5 GPa for a ∼21% Al doped Cr 1-x Al x N coating.

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U2 - 10.1039/c7ra00342k

DO - 10.1039/c7ra00342k

M3 - Article

VL - 7

SP - 22094

EP - 22104

JO - RSC Advances: an international journal to further the chemical sciences

JF - RSC Advances: an international journal to further the chemical sciences

SN - 2046-2069

IS - 36

ER -

Mohammadpour E, Jiang ZT, Altarawneh M, Mondinos N, Rahman MM, Lim HN et al. Experimental and predicted mechanical properties of Cr 1-x AI x N thin films, at high temperatures, incorporating in situ synchrotron radiation X-ray diffraction and computational modelling. RSC Advances. 2017;7(36):22094-22104. https://doi.org/10.1039/c7ra00342k

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