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Influence of ion irradiation-induced defects on phase formation and thermal stability of Ti0.27Al0.21N0.52 coatings
Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, DE-52074 Aachen, Germany.ORCID iD: 0000-0002-0374-094X
Malmö University, Faculty of Technology and Society (TS), Department of Materials Science and Applied Mathematics (MTM). Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, DE-52074 Aachen, Germany. (Materials Science)ORCID iD: 0000-0003-2303-3676
Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, DE-52074 Aachen, Germany.
Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, DE-52074 Aachen, Germany.ORCID iD: 0000-0002-0024-430X
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2022 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 237, article id 118160Article in journal (Refereed) Published
Abstract [en]

The influence of changes induced by ion irradiation on structure and thermal stability of metastable cubic (Ti,Al)N coatings deposited by cathodic arc evaporation is systematically investigated by correlating experiments and theory. Decreasing the nitrogen deposition pressure from 5.0 to 0.5 Pa results in an ion flux-enhancement by a factor of three and an increase of the average ion energy from 15 to 30 eV, causing the stress-free lattice parameter to expand from 4.170 to 4.206 Å, while the chemical composition of Ti0.27Al0.21N0.52 remains unchanged. The 0.9% lattice parameter increase is a consequence of formation of Frenkel pairs induced by ion bombardment, as revealed by density functional theory (DFT) simulations. The influence of the presence of Frenkel pairs on the thermal stability of metastable Ti0.27Al0.21N0.52 is investigated by scanning transmission electron microscopy, differential scanning calorimetry, atom probe tomography and in-situ synchrotron X-ray powder diffraction. It is demonstrated that the ion flux and ion energy induced formation of Frenkel pairs increases the thermal stability as the Al diffusion enabled crystallization of the wurtzite solid solution is retarded. This can be rationalized by DFT predictions since the presence of Frenkel pairs increases the activation energy for Al diffusion by up to 142%. Hence, the thermal stability enhancement is caused by a hitherto unreported mechanism - the Frenkel pair impeded Al mobility and thereby retarded formation of wurtzite solid solution.

Place, publisher, year, edition, pages
Elsevier, 2022. Vol. 237, article id 118160
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Materials Engineering
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URN: urn:nbn:se:mau:diva-53927DOI: 10.1016/j.actamat.2022.118160ISI: 000843498600001Scopus ID: 2-s2.0-85135115263OAI: oai:DiVA.org:mau-53927DiVA, id: diva2:1685050
Available from: 2022-08-01 Created: 2022-08-01 Last updated: 2024-02-05Bibliographically approved

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Holzapfel, Damian M.Music, DenisKarimi Aghda, SoheilEtter, MartinOndračka, PavelHans, MarcusEvertz, SimonPatterer, LenaSchökel, AlexanderEriksson, Anders O.Primetzhofer, DanielSchneider, Jochen M.
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