Thermal stability and oxidation resistance of arc evaporated TiAlN, TaAlN, TiAlTaN, and TiAlN/TaAlN coatings

Koller, Christian; Hollerweger, R.; Sabitzer, C.; Rachbauer, R.; Kolozsvári, S.; Paulitsch, J.; Mayrhofer, P.H.

doi:10.1016/j.surfcoat.2014.10.024

Cited by 115 publications

(34 citation statements)

References 36 publications

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“…The lower bound for the vacancy concentrations in (Ti,Al)N x with x ≈ 1 is the Schottky defect concentration, c M-vac = c N-vac = c Schottky . The x > 1 sample deposited using a poisoned target therefore exhibits a similar metal vacancy concentration as the one we estimated above based on the reported nitrogen loss during thermogravimetric analysis [13,14,54] and enables a direct comparison to the industrial state-of-theart. ERDA analysis of samples annealed at 850°C showed a slight decrease in nitrogen content by 0.3 at% for x > 1, 0.2 at% for x ≈ 1 and 0.9 at% for x < 1.…”

Section: Resultssupporting

confidence: 59%

“…These vacancies are important for thermal stability of metastable (Ti,Al)N x at higher temperatures since no energy for vacancy formation is needed for diffusion on the metal sublattice but only the activation energy for changing the atomic positions. A mass loss of up to 3 wt% has been observed during thermogravimetric analysis of (Ti,Al)N x at 1200°C [13,14,54] due to N 2 evaporation [14]. Assuming that this leads to stoichiometric nitrogen content in the remaining film, the nitrogen content in as-deposited (Ti,Al)N x can be estimated as up to x ≈ 1.11 resulting in c M-vac = 10% which is in good agreement with the predicted metal vacancy concentration of few percent, considering that atomic, excited and ionic nitrogen is present during synthesis which will increase the metal vacancy concentration.…”

Section: Resultsmentioning

confidence: 99%

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Unprecedented thermal stability of inherently metastable titanium aluminum nitride by point defect engineering

Baben

Hans

Primetzhofer

et al. 2016

Materials Research Letters

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Extreme cooling rates during physical vapor deposition (PVD) allow growth of metastable phases. However, we propose that reactive PVD processes can be described by a gas-solid paraequilibrium defining chemical composition and thus point defect concentration. We show that this notion allows for point defect engineering by controlling deposition conditions. As example we demonstrate that thermal stability of metastable (Ti,Al)N x , the industrial benchmark coating for wear protection, can be increased from 800°C to unprecedented 1200°C by minimizing the vacancy concentration. The thermodynamic approach formulated here opens a pathway for thermal stability engineering by point defects in reactively deposited thin films. IMPACT STATEMENTA novel thermodynamic methodology to predict stoichiometry of coatings is utilized to increase thermal stability of today's industrial benchmark hard coating TiAlN from 800°C to 1200°C by point defect engineering. ARTICLE HISTORY

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Section: Resultssupporting

confidence: 59%

Section: Resultsmentioning

confidence: 99%

Unprecedented thermal stability of inherently metastable titanium aluminum nitride by point defect engineering

Baben

Hans

Primetzhofer

et al. 2016

Materials Research Letters

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“…This signifies that the defects caused by high ion energy bombardment in the presence of N vacancies, are more stable than at low energy bombardment, [57][58] opposite to Rogström et al 8 observations for the stoichiometric case Koller et al 59 have presented the idea that microstructure affects the phase separation of the thin film coatings. It was suggested that under-dense column boundaries caused by lowly biased coatings accelerates decomposition because they provide higher diffusion and reduce retarding forces against volume changes.…”

Section: B Thermal Stability Of Ti1-xalxnymentioning

confidence: 97%

Enhanced thermal stability and mechanical properties of nitrogen deficient titanium aluminum nitride (Ti0.54Al0.46Ny) thin films by tuning the applied negative bias voltage

Calamba

Schramm

Johansson-Jöesaar

et al. 2017

Journal of Applied Physics

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Aspects on the phase stability and mechanical properties of nitrogen deficient (Ti0.54Al0.46)N-y alloys were investigated. Solid solution alloys of (Ti,Al)N were grown by cathodic arc deposition. The kinetic energy of the impinging ions was altered by varying the substrate bias voltage from -30V to -80 V. Films deposited with a high bias value of -80V showed larger lattice parameter, finer columnar structure, and higher compressive residual stress resulting in higher hardness than films biased at -30V when comparing their as-deposited states. At elevated temperatures, the presence of nitrogen vacancies and point defects (anti-sites and self-interstitials generated by the ion-bombardment during coating deposition) in (Ti0.54Al0.46)N-0.87 influence the driving force for phase separation. Highly biased nitrogen deficient films have point defects with higher stability during annealing, which cause a delay of the release of the stored lattice strain energy and then accelerates the decomposition tendencies to thermodynamically stable c-TiN and w-AlN. Low biased nitrogen deficient films have retarded phase transformation to w-AlN, which results in the prolongment of age hardening effect up to 1100 degrees C, i.e., the highest reported temperature for Ti-Al-N material system. Our study points out the role of vacancies and point defects in engineering thin films with enhanced thermal stability and mechanical properties for high temperature hard coating applications. Published by AIP Publishing.

Funding Agencies|European Unions Erasmus Mundus doctoral program in Materials Science and Engineering (DocMASE); Swedish Research Council [621-2012-4401]; Swedish government strategic research area grant AFM - SFO MatLiU [2009-00971]; VINNOVA [2013-02355]; DFG; federal state government of Saarland [INST 256/298-1 FUGG]; European Regional Development Fund [AME-Lab C/4-EFRE-13/2009/Br]

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“…Nb 0.73 Al 0.27 N has shown a maximum hardness value 33.5 GPa [68]. Concerning Ta 1−x Al x N alloys, only Ta 0.89 Al 0.11 N was investigated [70]. It has shown a singlephased cubic B1 solid solution in the as-deposited state, and has been found to be stable until 1100…”

Section: Ternary Pseudo-binary Nitride Alloysmentioning

confidence: 99%

Properties of multilayered and multicomponent nitride alloys from first principles

Wang¹

2018

Linköping Studies in Science and Technology. Dissertations

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This thesis is a theoretical exploration of properties of multilayered and multicomponent nitride alloys, in particular their mixing thermodynamics and elastic behaviors. Systematic investigation of properties of a large class of materials, such as the multicomponent nitride solid solutions, is in line with the modern approach of high-throughput search of novel materials. In this thesis we benchmark and utilize simple but efficient methodological frameworks in predicting mixing thermodynamics, Young's moduli distribution of multilayer alloys and the linear thermal expansion of quaternary nitride solid solutions.We demonstrate by accurate ab-initio calculations that Ti 1−x Al x N solid solution is stabilized by interfacial effects if it is coherently sandwiched between TiN layers along (001). For TiN/AlN and ZrN/AlN multilayers we show higher thermodynamic stability with semicoherent interfaces than with isostructural coherent ones.Accurate 0 Kelvin elastic constants of cubic Ti x X y Al 1−x−y N (X=Zr, Hf, Nb, V, Ta) solid solutions and their multilayers are derived and an analytic comparison of strengths and ductility are presented to reveal the potential of these materials in hard coating applications. The Young's moduli variation of the bulk materials has provided a reliable descriptor to screen the Young's moduli of coherent multilayers.The Debye model is used to reveal the high-temperature thermodynamics and spinodal decomposition of Ti x Nb y Al 1−x−y N. We show that though the effect of vibration is large on the mixing Gibbs free energy the local spinoal decomposition tendencies are not altered. A quasi-harmonic Debye model is benchmarked against results of molecular dynamics simulations in predicting the thermal expansion coefficients of Ti x X y Al 1−x−y N (X=Zr, Hf, Nb, V, Ta).v Sammanfattning Denna avhandling är en teoretisk undersökning av egenskaperna hos multilager och multikomponentlegeringar av nitrider, särskilt deras blandningstermodynamik och elastiska egenskaper. Systematiska undersökningar av egenskaperna hos en stor materialfamilj, såsom fasta lösningar av multikomponentnitrider, ligger i linje med den moderna angreppsvinkeln av massundersökningar i sökandet efter nya material. I denna avhandling utvärderar och använder vi enkla men effektiva metodologiska ramverk för att förutsäga blandningstermodynamik, fördelning av Young's moduli multilager och den linjära termiska expansionen i kvaternära fasta lösningar av nitrider.Vi visar med precisa ab-initio-beräkningar att en fast lösning av Ti 1−x Al x N stabiliseras av gränssnittseffekter om den placeras koherent mellan TiN-skikt längs med (001). För multilager av TiN/AlN och ZrN/AlN påvisar vi högre termodynamisk stabilitet med semikoherenta gränsskikt än med isostrukturella koherenta. Precisa elastiska konstanter vid 0 K för kubiska fasta lösningar av Ti x X y Al 1−x−y N (X=Zr, Hf, Nb, V, Ta) och deras multilager beräknas och en analytisk jämförelse av deras hållfasthet och duktilitet presenteras för att visa dessa materials potential ...

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Thermal stability and oxidation resistance of arc evaporated TiAlN, TaAlN, TiAlTaN, and TiAlN/TaAlN coatings

Cited by 115 publications

References 36 publications

Unprecedented thermal stability of inherently metastable titanium aluminum nitride by point defect engineering

Unprecedented thermal stability of inherently metastable titanium aluminum nitride by point defect engineering

Enhanced thermal stability and mechanical properties of nitrogen deficient titanium aluminum nitride (Ti0.54Al0.46Ny) thin films by tuning the applied negative bias voltage

Properties of multilayered and multicomponent nitride alloys from first principles

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