The influence of bias voltage on structure and mechanical/tribological properties of arc evaporated Ti–Al–V–N coatings

Pfeiler, M.; Kutschej, K.; Penoy, M.; Michotte, C.; Mitterer, Christian; Kathrein, M.

doi:10.1016/j.surfcoat.2007.07.045

Cited by 72 publications

(32 citation statements)

References 24 publications

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“…Thus, yttrium was shown to enhance oxidation resistance and hardness, 4 TiAlZrN has been found to have excellent adhesive strength to the substrate in terms of critical load, 5 TiAlCrN and TiAlHfN have higher wear resistance and hardness, [6][7][8] while TiAlVN has been introduced as possible candidate for low-friction coatings due to its enhanced tribological properties. 9 Generally, for all these compounds, results show that as long as the B1-NaCl structure is maintained, one can achieve these goals.…”

Section: Introductionmentioning

confidence: 94%

Electronic mechanism for toughness enhancement inTixM1−xN(M=M

2010

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Toughness, besides hardness, is one of the most important properties of wear-resistant coatings. We use ab initio density-functional theory calculations to investigate the mechanical properties of ternary metal nitrides Ti x M 1−x N, with M = Mo and W, for x = 0.5. Results show that Mo and W alloying significantly enhances the toughness of TiN. The electronic mechanism responsible for this improvement, as revealed by electronic structure calculations, stems from the changes in charge density induced by the additional transition-metal atom. This leads to the formation of a layered electronic arrangement, characterized by strong, respectively, weak, directional bonding, which enables a selective response to strain, respectively, shear, deformations of the structures and yields up to 60% decrease in C 44 values.

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Section: Introductionmentioning

confidence: 94%

Electronic mechanism for toughness enhancement inTixM1−xN(M=M

2010

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“…7,8,9,10,11 It is well known that compressive stresses influence the phase stability in ternary TMN's and act to increase the metastable solubility. 12,13,14,15,16 For TiAlN and CrAlN systems, the ab initio calculations of Holec et al 13 thus indicated an increase in xmax by 0.1 for σ = -4 GPa.…”

Section: Introductionmentioning

confidence: 99%

Extended metastable Al solubility in cubic VAlN by metal-ion bombardment during pulsed magnetron sputtering: film stress vs subplantation

Greczyński

Mráz

Rueß

et al. 2017

Journal of Applied Physics

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The self-archived version of this journal article is available at Linköping University Electronic Press: http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-139557 N.B.: When citing this work, cite the original publication.Greczynski, G., Mraz, S., Ruess, H., Hans, M., Lu, J., Hultman, L., Schneider, J. M., (2017) AbstractDynamic ion-recoil mixing of near-film-surface atomic layers is commonly used to increase the metastable solubility limit xmax in otherwise immiscible thin film systems during physical vapor deposition. Recently, Al subplantation achieved by irradiating film growth surface with Al + metalion flux was shown to result in an unprecedented xmax for VAlN, far above values obtained with gas ion irradiation. However, it is reasonable to assume that ion irradiation necessary for subplantation also leads to a compressive stress σ buildup. In order to separate the effects of Al + bombardment on σ and xmax, and realize low-stress high-xmax nitride alloys, we grow metastable

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“…The 0 K thermodynamics of quaternary transition metal nitride (Ti-Al-X-N, X=Zr,Hf,V,Nb,Ta) alloys has recently been investigated by Holec using ab initio simulations [86]. Zr improves the oxidation resistance and the as deposited hardness of Ti 1−x Al x N [87,88]; Hf leads to an inferior oxidation resistance of Ti 1−x Al x N and promotes the formation of cubic domains, however it retards the formation of stable wurtzite AlN during thermal annealing [89,90]; The addition of V to Ti 1−x Al x N hard coatings enables lubricating effects based on oxidation resistance and improves the overall wear resistance [91][92][93]; Nb and Ta are also favored due to combining outstanding mechanical properties with good oxidation resistance [94][95][96].…”

Section: Quaternary 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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The influence of bias voltage on structure and mechanical/tribological properties of arc evaporated Ti–Al–V–N coatings

Cited by 72 publications

References 24 publications

Electronic mechanism for toughness enhancement inTixM1−xN(M=M

Electronic mechanism for toughness enhancement inTixM1−xN(M=M

Extended metastable Al solubility in cubic VAlN by metal-ion bombardment during pulsed magnetron sputtering: film stress vs subplantation

Properties of multilayered and multicomponent nitride alloys from first principles

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