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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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Fernandes, Filipe
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (26/26 displayed)
- 2024Wear Behavior of TiAlN/DLC Coating on Tools in Milling Copper–Beryllium Alloy AMPCOLOY® 83citations
- 2024Influence of V concentration in TiAlSiVN coating on self-lubrication, friction and tool wear during two-pass dry turning of austenitic steel 316 Lcitations
- 2024Tribological Comparison of Coatings Produced by PVD Sputtering for Application on Combustion Piston Rings
- 2024Effect of V concentration in TiSiN monolayer coating on chip formation mechanism and chip sliding velocity during dry turning of Ti–6Al–4V alloycitations
- 2024Effect of carburizing time treatment on microstructure and mechanical properties of low alloy gear steelscitations
- 2024Synthesis and characterization of open cell Ni-Cr foam developed using Pulse electro deposition technique for filtration applications
- 2023Tribological Behavior of Doped DLC Coatings in the Presence of Ionic Liquid Additive under Different Lubrication Regimescitations
- 2023Electrical properties and thermistor behavior of TiAlN thin films deposited by combinatorial sputteringcitations
- 2023Investigating the self-lubricating properties of novel TiSiVN coating during dry turning of Ti6Al4V alloycitations
- 2023Improvement in Corrosion Performance of ECAPed AZ80/91 Mg Alloys Using SS316 HVOF Coatingcitations
- 2023Design and development of NbTiVZr porous high entropy alloys for energy applicationscitations
- 2023Development of eutectic high entropy alloy by addition of W to CoCrFeNi HEAcitations
- 2023Investigating the effect of novel self-lubricant TiSiVN films on topography, diffusion and oxidation phenomenon at the chip-tool interface during dry machining of Ti-6Al-4V alloycitations
- 2023Investigating the effect of novel self-lubricant TiSiVN films on topography, diffusion and oxidation phenomenon at the chip-tool interface during dry machining of Ti-6Al-4V alloycitations
- 2023Study on the Wear Modes of PVD Films Using Different Concentrations of Al2O3 Abrasive Particles and Textured Rotating Ballscitations
- 2023The Influence of H Content on the Properties of a-C(W):H Coatingscitations
- 2023Development and Mechanical Characterization of Ni-Cr Alloy Foam Using Ultrasonic-Assisted Electroplating Coating Techniquecitations
- 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
- 2023Insights into the oxidation resistance mechanism and tribological behaviors of multilayered TiSiN/CrVxN hard coatingscitations
- 2022Ceramic-reinforced HEA matrix composites exhibiting an excellent combination of mechanical propertiescitations
- 2022Ceramic-reinforced HEA matrix composites exhibiting an excellent combination of mechanical propertiescitations
- 2022Effect of Annealing Heat Treatment on the Composition, Morphology, Structure and Mechanical Properties of the W-S-N Coatingscitations
- 2021Diffusion of silver in titanium nitride: Insights from density functional theory and molecular dynamicscitations
- 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
- 2012Effect of nanostructured zirconia additions on the microstructure and wear resistance of nickel-based alloy coatings deposited by APS Plasma Spraying
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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.