Toughening mechanisms in V-Si-N coatings
Toughening mechanisms in V-Si-N coatings
Microstructural evolution and deformation mechanisms of magnetron sputtered V-Si-N coatings with various Si contents are investigated by transmission electron microscopy, X-ray absorption spectroscopy, and ab initio calculations. A small amount of Si atoms was dissolved into the cubic VN lattice, locally reducing the neighboring V-N p-d hybridization near the Si site. The Si content was found to impact the architecture of coating significantly. With increasing Si content, the microstructure evolved through three different architectures: (i) highly textured columnar grains, (ii) refined columnar grains, and (iii) nanocomposite structures where elongated grains were bounded by vein-like boundaries. Enhanced damage tolerance was observed in the nanocomposite structure, where multiple toughening mechanisms become active. Ab initio calculations revealed that the incorporation of Si monolayer in the (1 1 1)-oriented VN resulted in the formation of weaker Si-N bonds compared to V-N bonds, which allowed a selective response to strain and shear deformations by assisting the activation of the slip systems.
Ab initio simulations, Friedel oscillations, Grain boundaries, Physical vapor deposition, Superhard nanocomposite, Toughening mechanisms
Ge, F. F.
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Sen, H. S.
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Daghbouj, N.
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Callisti, M.
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Feng, Y. J.
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Li, B. S.
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Zhu, P.
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Li, P.
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Meng, F. P.
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Polcar, T.
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Huang, F.
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1 November 2021
Ge, F. F.
e2de5b47-3d9a-47d5-a029-ea64069819f6
Sen, H. S.
bb372413-c42d-4a9b-8337-bc27ee739f58
Daghbouj, N.
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Callisti, M.
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Feng, Y. J.
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Li, B. S.
ff6006d5-9415-4ddd-b641-005ab8fc18d9
Zhu, P.
6615d171-8c91-42ac-ab10-6ffca2862128
Li, P.
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Meng, F. P.
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Polcar, T.
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Huang, F.
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Ge, F. F., Sen, H. S., Daghbouj, N., Callisti, M., Feng, Y. J., Li, B. S., Zhu, P., Li, P., Meng, F. P., Polcar, T. and Huang, F.
(2021)
Toughening mechanisms in V-Si-N coatings.
Materials and Design, 209, [109961].
(doi:10.1016/j.matdes.2021.109961).
Abstract
Microstructural evolution and deformation mechanisms of magnetron sputtered V-Si-N coatings with various Si contents are investigated by transmission electron microscopy, X-ray absorption spectroscopy, and ab initio calculations. A small amount of Si atoms was dissolved into the cubic VN lattice, locally reducing the neighboring V-N p-d hybridization near the Si site. The Si content was found to impact the architecture of coating significantly. With increasing Si content, the microstructure evolved through three different architectures: (i) highly textured columnar grains, (ii) refined columnar grains, and (iii) nanocomposite structures where elongated grains were bounded by vein-like boundaries. Enhanced damage tolerance was observed in the nanocomposite structure, where multiple toughening mechanisms become active. Ab initio calculations revealed that the incorporation of Si monolayer in the (1 1 1)-oriented VN resulted in the formation of weaker Si-N bonds compared to V-N bonds, which allowed a selective response to strain and shear deformations by assisting the activation of the slip systems.
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Accepted/In Press date: 5 July 2021
e-pub ahead of print date: 7 July 2021
Published date: 1 November 2021
Additional Information:
Funding Information:
This work was supported by the National Natural Science Foundation (No. 51871231). This study was financially supported by the Czech Science Foundation in the frame of the project 17-17921S and the European Regional Development Fund (project CZ.02.1.01/0.0/0.0/16_019/0000778). Also, this work was supported by the Ministry of Education, Youth and Sports of the Czech Republic through the e-INFRA CZ (ID:90140). M.C. acknowledges Innovate UK (reference number: 113072) for financial support.
Keywords:
Ab initio simulations, Friedel oscillations, Grain boundaries, Physical vapor deposition, Superhard nanocomposite, Toughening mechanisms
Identifiers
Local EPrints ID: 454499
URI: http://eprints.soton.ac.uk/id/eprint/454499
ISSN: 0264-1275
PURE UUID: de880273-6aa0-4552-b37c-8ecdfd8fba24
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Date deposited: 14 Feb 2022 17:37
Last modified: 06 Jun 2024 01:49
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Author:
F. F. Ge
Author:
H. S. Sen
Author:
N. Daghbouj
Author:
M. Callisti
Author:
Y. J. Feng
Author:
B. S. Li
Author:
P. Zhu
Author:
P. Li
Author:
F. P. Meng
Author:
F. Huang
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