The University of Southampton
University of Southampton Institutional Repository

Toughening mechanisms in V-Si-N coatings

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
0264-1275
Ge, F. F.
e2de5b47-3d9a-47d5-a029-ea64069819f6
Sen, H. S.
bb372413-c42d-4a9b-8337-bc27ee739f58
Daghbouj, N.
11efccbe-eb37-4f69-a8c4-1fd21889503e
Callisti, M.
86e03724-aacc-46d5-bccc-4c7025556667
Feng, Y. J.
c9c36245-b42f-4380-9604-c390269de223
Li, B. S.
ff6006d5-9415-4ddd-b641-005ab8fc18d9
Zhu, P.
6615d171-8c91-42ac-ab10-6ffca2862128
Li, P.
9c96dcef-dfd8-43ae-9b77-5d22df88565e
Meng, F. P.
3c45926e-5e27-4c33-8601-ccf624b240c2
Polcar, T.
c669b663-3ba9-4e7b-9f97-8ef5655ac6d2
Huang, F.
7b25fc45-5c0a-4ef4-baed-2d99e677b0c6
Ge, F. F.
e2de5b47-3d9a-47d5-a029-ea64069819f6
Sen, H. S.
bb372413-c42d-4a9b-8337-bc27ee739f58
Daghbouj, N.
11efccbe-eb37-4f69-a8c4-1fd21889503e
Callisti, M.
86e03724-aacc-46d5-bccc-4c7025556667
Feng, Y. J.
c9c36245-b42f-4380-9604-c390269de223
Li, B. S.
ff6006d5-9415-4ddd-b641-005ab8fc18d9
Zhu, P.
6615d171-8c91-42ac-ab10-6ffca2862128
Li, P.
9c96dcef-dfd8-43ae-9b77-5d22df88565e
Meng, F. P.
3c45926e-5e27-4c33-8601-ccf624b240c2
Polcar, T.
c669b663-3ba9-4e7b-9f97-8ef5655ac6d2
Huang, F.
7b25fc45-5c0a-4ef4-baed-2d99e677b0c6

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).

Record type: Article

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.

Text
1-s2.0-S0264127521005153-main - Version of Record
Download (4MB)

More information

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
ORCID for T. Polcar: ORCID iD orcid.org/0000-0002-0863-6287

Catalogue record

Date deposited: 14 Feb 2022 17:37
Last modified: 06 Jun 2024 01:49

Export record

Altmetrics

Contributors

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: T. Polcar ORCID iD
Author: F. Huang

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of http://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×