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

^*Corresponding author for this work

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

20 Citations (Scopus)

59 Downloads (CityUHK Scholars)

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 Cr₁−_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
Journal	RSC Advances
Volume	7
Issue number	36
Online published	20 Apr 2017
DOIs	https://doi.org/10.1039/c7ra00342k
Publication status	Published - 2017

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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

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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 Zhong-Tao Jiang and Mohmmednoor Altarawneh and Nicholas Mondinos and Rahman, {M. Mahbubur} and Lim, {H. N.} and Huang, {N. M.} and Zonghan Xie and Zhi-Feng Zhou and Dlugogorski, {Bogdan Z.}",

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language = "English",

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Mohammadpour, E, Jiang, Z-T, Altarawneh, M, Mondinos, N, Rahman, MM, Lim, HN, Huang, NM, Xie, Z, Zhou, Z-F & 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

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: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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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

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N2 - 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.

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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