Experimental and predicted mechanical properties of Cr1-xAIxN 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

doi:10.1039/c7ra00342k

Experimental and predicted mechanical properties of Cr_1-xAI_xN 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

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

17 Citations (Scopus)

Abstract

Cr_1-xAl_xN 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 AlO₂ and Al₂O₃ 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-xAl_xN 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-xAl_xN coating.

Original language	English
Pages (from-to)	22094-22104
Number of pages	11
Journal	RSC Advances
Volume	7
Issue number	36
DOIs	https://doi.org/10.1039/c7ra00342k
Publication status	Published - 2017
Externally published	Yes

ASJC Scopus subject areas

Chemistry(all)
Chemical Engineering(all)

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10.1039/c7ra00342k

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Mohammadpour, E., Jiang, Z. T., Altarawneh, M., Mondinos, N., Rahman, M. M., Lim, H. N., Huang, N. M., Xie, Z., Zhou, Z. F., & Dlugogorski, B. Z. (2017). Experimental and predicted mechanical properties of Cr_1-xAI_xN thin films, at high temperatures, incorporating in situ synchrotron radiation X-ray diffraction and computational modelling. RSC Advances, 7(36), 22094-22104. https://doi.org/10.1039/c7ra00342k

Experimental and predicted mechanical properties of Cr_1-xAI_xN thin films, at high temperatures, incorporating in situ synchrotron radiation X-ray diffraction and computational modelling. / Mohammadpour, Ehsan; Jiang, Zhong Tao; Altarawneh, Mohmmednoor et al.
In: RSC Advances, Vol. 7, No. 36, 2017, p. 22094-22104.

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

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-xAI_xN 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

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title = "Experimental and predicted mechanical properties of Cr1-xAIxN thin films, at high temperatures, incorporating in situ synchrotron radiation X-ray diffraction and computational modelling",

abstract = "Cr1-xAlxN 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 AlO2 and Al2O3 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 Cr1-xAlxN 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 Cr1-xAlxN 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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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

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AB - Cr1-xAlxN 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 AlO2 and Al2O3 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 Cr1-xAlxN 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 Cr1-xAlxN coating.

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Experimental and predicted mechanical properties of Cr_1-xAI_xN thin films, at high temperatures, incorporating in situ synchrotron radiation X-ray diffraction and computational modelling

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