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Investigation of the phase formation in magnetron sputtered hard multicomponent (HfNbTiVZr)C coatings
Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Oorganisk kemi.ORCID-id: 0000-0001-5445-1374
KTH Royal Inst Technol, Stockholm, Sweden.;Thermo Calc Software AB, Solna, Sweden..
Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Oorganisk kemi.ORCID-id: 0000-0002-8082-1671
Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Kemiska sektionen, Institutionen för kemi - Ångström, Oorganisk kemi.ORCID-id: 0000-0003-1874-932x
Vise andre og tillknytning
2022 (engelsk)Inngår i: Materials & design, ISSN 0264-1275, E-ISSN 1873-4197, Vol. 221, artikkel-id 111002Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

Multicomponent carbides have gained interest especially for ultra-high temperature applications, due to their ceramic hardness, good oxidation resistance and enhanced strength. In this study the phase forma-tion, stability and mechanical properties of (HfNbTiVZr)C multicomponent carbide coatings were inves-tigated. Phase stability was predicted by the CALPHAD (CALculation of PHAse Diagrams) methods. This revealed that the multicomponent solid solution phase is only stable at elevated temperatures, namely above 2400 degrees C. At lower temperatures a phase mixture was predicted, with a particular tendency for V to segregate. Magnetron sputtered thin films deposited at 300 degrees C exhibited a single NaCl-type multicom-ponent carbide phase, which attributes to the kinetic stabilisation of simple structures during thin film growth. Films deposited at 700 degrees C, or exposed to UHV annealing at 1000 degrees C, however, revealed the decom-position of the single-phase multicomponent carbide by partial elemental segregation and formation of additional phases. Thus, confirming the CALPHAD predictions. These results underscore the importance of explicitly considering temperature when discussing the stability of multicomponent carbide materials, as well as the applicability of CALPHAD methods for predicting phase formation and driving forces in these materials. The latter being crucial for designing materials, such as carbides, that are used in appli-cations at elevated temperatures.

sted, utgiver, år, opplag, sider
Elsevier BV Elsevier, 2022. Vol. 221, artikkel-id 111002
Emneord [en]
High entropy ceramics, Multi -principal element carbide, Multicomponent carbide, Physical vapour deposition (PVD), CALPHAD
HSV kategori
Identifikatorer
URN: urn:nbn:se:uu:diva-482676DOI: 10.1016/j.matdes.2022.111002ISI: 000839257000004OAI: oai:DiVA.org:uu-482676DiVA, id: diva2:1693528
Forskningsfinansiär
Swedish Research Council, 2018-04834Swedish Research CouncilSwedish Research Council, 2017-00646_9Swedish Foundation for Strategic Research, RIF14-0053Tilgjengelig fra: 2022-09-07 Laget: 2022-09-07 Sist oppdatert: 2024-01-15bibliografisk kontrollert
Inngår i avhandling
1. Investigation of compositionally complex refractory metal based thin films
Åpne denne publikasjonen i ny fane eller vindu >>Investigation of compositionally complex refractory metal based thin films
2024 (engelsk)Doktoravhandling, med artikler (Annet vitenskapelig)
Abstract [en]

The search for new and improved materials has led to the discovery and establishment of compositionally complex or high-entropy materials. The work in this thesis is focused on the investigation of new compositionally complex materials based on the refractory metals of groups 4-6. The materials in this work were synthesised using non-reactive dc magnetron sputtering and three material systems have been studied: HfNbTiVZr-C, CrTiTaWNb-C and Nb-Mo-C. In the context of compositionally complex materials, this thesis aims to contribute specifically to questions regarding (i) the prediction of phase formation and stability (ii) the chemical interaction between atoms (iii) the correlation between the material properties and compositional complexity. 

The prediction of phase formation and stability using calculated phase diagram (CALPHAD) methods was studied in the HfNbTiVZr-C system. The findings suggest that CALPHAD methods are promising predictive tools, although kinetic effects during synthesis need to be taken into consideration. Furthermore, theoretical, and experimental evidence of charge transfer effects was demonstrated within the HfNbTiVZr-C system. The results of ab initio materials simulations and X-ray Photoelectron Spectroscopy (XPS) measurements highlight the importance of understanding and considering the local chemical environment and chemical interactions in compositionally complex materials.

The approach of metal alloying according to the valence electron concentration (VEC) to tune the mechanical properties was studied in the Nb-Mo-C system. The findings show the importance of microstructural effects on the mechanical properties in the studied thin film materials, which can overshadow the compositional or VEC variations. 

The response to Xe heavy-ion irradiation was studied in the CrTiTaWNb-C system using in situ irradiation experiments. This work presents a comparison between three different compositions: a TaW-rich alloy and carbide thin film as well as a near-equimolar carbide film. The findings indicate that both microstructure and chemical homogeneity play important roles when it comes to radiation damage tolerance in compositional complex materials.

This thesis demonstrates the elaborate and multifaceted nature of compositionally complex materials. Whether it comes to the fundamental understanding or the effective implementation of a materials design tool, many factors need to be taken into consideration, including chemical interactions between the constituent elements and microstructural effects.

sted, utgiver, år, opplag, sider
Uppsala: Acta Universitatis Upsaliensis, 2024. s. 70
Serie
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 2355
Emneord
Magnetron sputtering, Thin films, High entropy materials, Refractory metals, Transition metal carbides
HSV kategori
Forskningsprogram
Kemi med inriktning mot materialkemi
Identifikatorer
urn:nbn:se:uu:diva-517268 (URN)978-91-513-2007-6 (ISBN)
Disputas
2024-03-01, Häggsalen - Ångströmlaboratory, Lägerhyddsvägen 1, Uppsala, 09:15 (engelsk)
Opponent
Veileder
Forskningsfinansiär
Swedish Research Council, 2018-04834
Tilgjengelig fra: 2024-02-07 Laget: 2024-01-11 Sist oppdatert: 2024-02-07

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Osinger, BarbaraFritze, StefanRiekehr, LarsJansson, UlfLewin, Erik

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