Structure, mechanical properties and oxidation behaviour of arc-evaporated NbAlN hard coatings

Franz, Robert; Lechthaler, Markus; Polzer, Conrad; Mitterer, Christian

doi:10.1016/j.surfcoat.2010.01.023

Cited by 31 publications

(30 citation statements)

References 26 publications

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“…The maximum amount of AlN soluble in V 1−x Al x N is observed as x = 0.62, and below it stabilizes in the metastable B1 structure [63]. A variety of crystallographic phases can be formed for NbN, see section 2.1, which means a higher complexity for investigating solubility in Nb 1−x Al x N. The cubic B1 structure was confirmed by experiments [65][66][67][68]. It was shown that B1 NbN could be retained up to an Al concentration of x = 0.45 − 0.56 by cathodic arc-evaporation [68] and x ≈ 0.6 by reactive sputtering [65].…”

Section: Ternary Pseudo-binary Nitride Alloysmentioning

confidence: 86%

“…A variety of crystallographic phases can be formed for NbN, see section 2.1, which means a higher complexity for investigating solubility in Nb 1−x Al x N. The cubic B1 structure was confirmed by experiments [65][66][67][68]. It was shown that B1 NbN could be retained up to an Al concentration of x = 0.45 − 0.56 by cathodic arc-evaporation [68] and x ≈ 0.6 by reactive sputtering [65]. Ab-initio calculations revealed that the B1 structure is (thermodynamically) stable in the composition range x ≈ 0.14−0.7, and the wurtzite phase is favored at x > 0.7 [69].…”

Section: Ternary Pseudo-binary Nitride Alloysmentioning

confidence: 99%

“…Ab-initio calculations revealed that the B1 structure is (thermodynamically) stable in the composition range x ≈ 0.14−0.7, and the wurtzite phase is favored at x > 0.7 [69]. 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].…”

Section: Ternary Pseudo-binary Nitride Alloysmentioning

confidence: 99%

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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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Section: Ternary Pseudo-binary Nitride Alloysmentioning

confidence: 86%

Section: Ternary Pseudo-binary Nitride Alloysmentioning

confidence: 99%

Section: Ternary Pseudo-binary Nitride Alloysmentioning

confidence: 99%

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Properties of multilayered and multicomponent nitride alloys from first principles

Wang¹

2018

Linköping Studies in Science and Technology. Dissertations

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“…In Nb 1 -x Al x N solid solutions, the B1 structure is more preferable at aluminum concentrations x lower than 0.45. In the range from x = 0.45 to 0.71, a mixture of B1 and B4 structures is observed, while at x > 0.71, the B4 structure (wurtzite type with a hexagonal structure) is formed [6,7]. On the other hand, nano composite NbN/AlN films have not yet been studied up to now.…”

Section: Introductionmentioning

confidence: 99%

“…It was shown that intro duction of Al atoms into the crystal lattice leads to the formation of Nb 1 ⎯ x Al x N solid solutions. The Nb-Al-N films consist of Nb 1 -x Al x N solid solu tions with the B1 (rarely, B K , which is the δ' NbN phase) and B4 structures or their mixtures [3][4][5][6][7]. In Nb 1 -x Al x N solid solutions, the B1 structure is more preferable at aluminum concentrations x lower than 0.45.…”

Section: Introductionmentioning

confidence: 99%

Structure and properties of nanocomposite Nb-Al-N films

et al. 2015

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Abstract-Nanocomposite Nb-Al-N films prepared by magnetron sputtering have been studied. It has been found that, in the films, there are two stable crystalline structural states, namely, NbN z and B1-Nb 1 ⎯ x Al x N y O 1 -y , and an amorphous like component related to aluminum oxynitride upon reactive mag netron sputtering. It has been established that the substructure characteristics are sensitive to the current sup plied to an Al target and are related to the Knoop nanohardness and hardness, which change in the ranges of 29-33.5 and 46-48 GPa, respectively. Ab initio calculations for the NbN z and Nb 2 AlN phases and NbN/AlN heterostructures have been performed to interpret the obtained results for the first time.

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Tribological Properties of Arc-Evaporated NbAlN Hard Coatings

et al. 2011

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Nb 1-x Al x N hard coatings were synthesised by cathodic arc-evaporation with different Al contents to study its influence on the tribological properties. Ball-ondisc tests at temperatures up to 700°C were performed and the recorded coefficient of friction was generally in the range from 0.8 to 1.0. Subsequent analysis of the coating wear track and the counterpart wear scar by optical profilometry and Raman spectroscopy revealed details on the wear behaviour of the tested coatings. The best wear performance for the Nb-rich coatings was in the temperature range of 300-500°C, whereas at the maximum testing temperature the higher oxidation resistance with increasing Al content was beneficial in terms of wear resistance.

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Structure, mechanical properties and oxidation behaviour of arc-evaporated NbAlN hard coatings

Cited by 31 publications

References 26 publications

Properties of multilayered and multicomponent nitride alloys from first principles

Properties of multilayered and multicomponent nitride alloys from first principles

Structure and properties of nanocomposite Nb-Al-N films

Tribological Properties of Arc-Evaporated NbAlN Hard Coatings

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