| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Cavaleiro, Albano
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (32/32 displayed)
- 2024Sustainable lubrication through Gd DLC films and ionic liquids for wear and corrosion resistancecitations
- 2024Tribological Comparison of Coatings Produced by PVD Sputtering for Application on Combustion Piston Rings
- 2024Synergistic effects of nitrogen-containing functionalized copolymer and silicon-doped DLC for friction and wear reductioncitations
- 2023Optical properties and refractive index sensitivity of reactive sputtered oxide coatings with embedded Au clusters
- 2023Impact of Temperature Variation on Friction Behaviour of Rare Earth-Doped Diamond-like Carbon Coatings with Ionic Liquid Lubricantscitations
- 2023Electrochemical vs antibacterial characterization of ZrCN–Ag coatings
- 2023Silver surface segregation in Ag-DLC nanocomposite coatings
- 2023Electrical properties and thermistor behavior of TiAlN thin films deposited by combinatorial sputteringcitations
- 2023Assessment of thermomechanical stability of DLC films deposited by Ne-HiPIMS technology for high-temperature applicationscitations
- 2023Ag–Ti(C, N)-based coatings for biomedical applications: influence of silver content on the structural propertiescitations
- 2023The Influence of H Content on the Properties of a-C(W):H Coatingscitations
- 2023Influence of the alloying elements on the tribological performance of DLC coatings in different sliding conditionscitations
- 2023Structural, mechanical and tribological properties of WCTiN coatings produced by HiPIMScitations
- 2023Synergic effect of TMD coating on textured steel using micro-EDMcitations
- 2023Insights into the oxidation resistance mechanism and tribological behaviors of multilayered TiSiN/CrVxN hard coatingscitations
- 2022Effect of Annealing Heat Treatment on the Composition, Morphology, Structure and Mechanical Properties of the W-S-N Coatingscitations
- 2022A revised interpretation of the mechanisms governing low friction tribolayer formation in alloyed-TMD self-lubricating coatingscitations
- 2021Diffusion of silver in titanium nitride: Insights from density functional theory and molecular dynamicscitations
- 2021Cr-based sputtered decorative coatings for automotive industrycitations
- 2020Comparative study of DC and RF sputtered MoSe22 coatings containing carbon - An approach to optimize 3 stoichiometry, microstructure, crystallinity and 4 hardnesscitations
- 2020Antibacterial effect of bimetallic clusters incorporated in amorphous carbon for stents applicationcitations
- 2020Au-WO3 nanocomposite coatings for localized surface plasmon resonance sensingcitations
- 2020Synthesis and structural properties of Mo-S-N sputtered coatingscitations
- 2019Electrochemical corrosion of nano-structured magnetron-sputtered coatingscitations
- 2015Silver surface segregation in Ag-DLC nanocomposite coatingscitations
- 2015Effect of clustering on the surface plasmon band in thin films of metallic nanoparticlescitations
- 2015Biotribological behavior of Ag-ZrCxN1-x coatings against UHMWPE for joint prostheses devicescitations
- 2014Optical response of fractal aggregates of polarizable particlescitations
- 2014Ag:TiN nanocomposite thin films for bioelectrodes : the effect of annealing treatments on the electrical and mechanical behaviourcitations
- 2014The effect of increasing V content on the structure, mechanical properties and oxidation resistance of Ti–Si–V–N films deposited by DC reactive magnetron sputteringcitations
- 2013Self-lubricating W-S-C-Cr tribological coatings deposited by r.f. magnetron sputtering
- 2013Zr-DLC coatings - analysis of the friction and wear mechanisms
Places of action
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article
Diffusion of silver in titanium nitride: Insights from density functional theory and molecular dynamics
Abstract
The use of self-lubricating titanium nitride and silver (TiN(Ag)) nanocomposite coatings is a promising way to reduce the wear of tools employed dry machining operations for hard-to-cut materials/alloys. To achieve an optimal performance, the Ag diffusion within the matrix needs to be carefully controlled, and its mechanisms clearly understood. In this paper we use density functional theory calculations to investigate Ag-related point defects, adhesion energies and Ag diffusion energy barriers in TiN bulk, surfaces and grain boundaries. Classical molecular dynamics simulations have been performed on TiN(Ag) systems using a hybrid MEAM/Mie force field, to understand the relative importance of the different diffusion processes. Our results show that the main Ag transport mechanism in TiN(Ag) nanocomposites is the surface diffusion occurring along intergranular spaces. ; This work received funding under the projects ’MATIS - Materiais e Tecnologias Industriais Sustentáveis (ref: CENTRO-01-0145-FEDER-000014) under the grant number 673856, ’Controllub’ (ref: UTAP-EXPL/NTec/0107/2017) under the grant number 656575, SMARTLUB (ref: POCI-01-0145-FEDER-031807) and MCTOOL21 (ref: POCI-01-0247-FEDER-045940). The authors also acknowledge partial support by the Portuguese Foundation for Science and Technology (FCT, I.P.) in the framework of the Strategic Funding UIDB/04650/2020-2023 and UIDB/00285/2020. The authors acknowledge the Oblivion Supercomputer at university of Evora for providing HPC resources in the framework of the advanced computing project CPCA/A2/5649/2020 awarded by FCT IP.