Self-formation of dual-phase nanocomposite coatings within ternary Zr‒Cu‒B system

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23520%2F24%3A43973837" target="_blank" >RIV/49777513:23520/24:43973837 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/49777513:23520/24:43973840

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Self-formation of dual-phase nanocomposite coatings within ternary Zr‒Cu‒B system

Popis výsledku v původním jazyce

In this work, we investigate the possibility of preparing dual-phase nanocomposite coatings within the ternary Zr‒Cu‒B system by non-reactive magnetron sputtering, focusing on the compositions corresponding to the stoichiometric ZrB2 and ZrCu phases. The Zr‒Cu‒B coatings were deposited in argon using four unbalanced magnetrons equipped with two ZrB2 targets, one Zr target and one Cu target. The magnetrons with the ZrB2 and Zr targets were operated in dc regimes, while that with the Cu target was in a high-power impulse regime. All coatings were deposited onto rotating substrates with rf biasing at different substrate temperatures. The elemental composition of the coatings was varied so that the stoichiometry of both potential phases remained the same, but only the phase fraction was changed. The experimental results were complemented by ab-initio simulations using the density functional theory. The obtained results show that the structure of Zr‒Cu‒B coatings deposited without external heating is amorphous for all compositions investigated. Increasing the substrate temperature promotes the crystallization of the coatings, leading to the formation of a dual-phase nanocomposite structure based on a nanocrystalline ZrB2 phase and an amorphous ZrCu phase. This effect becomes more pronounced as the volume fraction of the ZrCu phase decreases. Mechanical properties such as hardness and stress are affected by the volume fractions of both phases and exhibit a dependence on the substrate temperature. The ab-initio simulations revealed that the bottleneck controlling the composition-dependent segregation and subsequent crystallization (easier at higher B contents) is the number of B‒B bonds. Ternary Zr‒Cu‒B coatings show higher resistance to the formation of the dual-phase nanocomposite structure than Zr‒Cu‒N coatings. The structural investigations are in very good agreement with ab-initio simulations. The mechanical properties can be finely tuned by manipulating the phase fraction and microstructure of the coatings.

Název v anglickém jazyce

Self-formation of dual-phase nanocomposite coatings within ternary Zr‒Cu‒B system

Popis výsledku anglicky

In this work, we investigate the possibility of preparing dual-phase nanocomposite coatings within the ternary Zr‒Cu‒B system by non-reactive magnetron sputtering, focusing on the compositions corresponding to the stoichiometric ZrB2 and ZrCu phases. The Zr‒Cu‒B coatings were deposited in argon using four unbalanced magnetrons equipped with two ZrB2 targets, one Zr target and one Cu target. The magnetrons with the ZrB2 and Zr targets were operated in dc regimes, while that with the Cu target was in a high-power impulse regime. All coatings were deposited onto rotating substrates with rf biasing at different substrate temperatures. The elemental composition of the coatings was varied so that the stoichiometry of both potential phases remained the same, but only the phase fraction was changed. The experimental results were complemented by ab-initio simulations using the density functional theory. The obtained results show that the structure of Zr‒Cu‒B coatings deposited without external heating is amorphous for all compositions investigated. Increasing the substrate temperature promotes the crystallization of the coatings, leading to the formation of a dual-phase nanocomposite structure based on a nanocrystalline ZrB2 phase and an amorphous ZrCu phase. This effect becomes more pronounced as the volume fraction of the ZrCu phase decreases. Mechanical properties such as hardness and stress are affected by the volume fractions of both phases and exhibit a dependence on the substrate temperature. The ab-initio simulations revealed that the bottleneck controlling the composition-dependent segregation and subsequent crystallization (easier at higher B contents) is the number of B‒B bonds. Ternary Zr‒Cu‒B coatings show higher resistance to the formation of the dual-phase nanocomposite structure than Zr‒Cu‒N coatings. The structural investigations are in very good agreement with ab-initio simulations. The mechanical properties can be finely tuned by manipulating the phase fraction and microstructure of the coatings.

Druh

O - Ostatní výsledky

CEP obor

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OECD FORD obor

20506 - Coating and films

Projekt

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Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů