Thermal Treatment Effects on Microstructure and Mechanical Properties of TiAlN Thin Films

Santana, Antonio; Karimi, A.; Derflinger, V.H.; Schütze, Andreas

doi:10.1007/s11249-004-8074-0

Cited by 44 publications

(25 citation statements)

References 31 publications

(38 reference statements)

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“…7,19 However, these inhomogeneities are on an intensity scale lower than what could be resolved with the used SAXS set up or by WAXS in earlier publications. 4,5,7,9,10,17,22,39 Figure 3 shows that when the annealing temperature is reached a SAXS peak is immediately present. This suggests that the spinodal decomposition starts instantaneously at, or even before, the annealing temperature is attained.…”

Section: A Initial Stage (Spinodal Decomposition)mentioning

confidence: 99%

“…(9), the D 0 is calculated to 1.4 Â 10 À6 m 2 s À1 . The extracted activation energy can be compared with the ones previously measured with DSC for similar coatings; 2.9 eV (Ref.…”

Section: Diffusivity Constant and Activation Energymentioning

confidence: 99%

“…4,5 First, it decomposes isostructurally to c-TiN and c-AlN, followed by a transformation of the metastable c-AlN to hexagonal (h)-AlN. The first step has been attributed to spinodal decomposition, since experimental results [5][6][7][8][9][10] show the characteristics for this type of phase transformation, and computational methods reveal a miscibility gap and a negative second derivative of the Gibbs' free energy. [11][12][13][14] The mechanical properties of the coatings are improved after the thermal annealing which has been attributed to the isostructural decomposition, due to the resulting coherency strains between the Al and Ti-rich domains, 5,15 their difference in elastic stiffness, 16 and also a semi coherent interface between cubic and hexagonal phases.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Microstructure evolution during the isostructural decomposition of TiAlN—A combined in-situ small angle x-ray scattering and phase field study

Knutsson

Ullbrand

Rogström

et al. 2013

Journal of Applied Physics

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This paper describes details of the spinodal decomposition and coarsening in metastable cubic Ti0.33Al0.67N and Ti0.50Al0.50N coatings during isothermal annealing, studied by in-situ small angle x-ray scattering, in combination with phase field simulations. We show that the isostructural decomposition occurs in two stages. During the initial stage, spinodal decomposition, of the Ti0.50Al0.50N alloy, the phase separation proceeds with a constant compositional wavelength of ∼2.8 nm of the AlN- and TiN-rich domains. The time for spinodal decomposition depends on annealing temperature as well as alloy composition. After the spinodal decomposition, the coherent cubic AlN- and TiN-rich domains coarsen. The coarsening rate is kinetically limited by diffusion, which allowed us to estimate the diffusivity and activation energy of the metals to 1.4 × 10−6 m2 s−1 and 3.14 eV at−1, respectively.

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Section: A Initial Stage (Spinodal Decomposition)mentioning

confidence: 99%

“…(9), the D 0 is calculated to 1.4 Â 10 À6 m 2 s À1 . The extracted activation energy can be compared with the ones previously measured with DSC for similar coatings; 2.9 eV (Ref.…”

Section: Diffusivity Constant and Activation Energymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Microstructure evolution during the isostructural decomposition of TiAlN—A combined in-situ small angle x-ray scattering and phase field study

Knutsson

Ullbrand

Rogström

et al. 2013

Journal of Applied Physics

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“…However, when subjected to high temperatures, e.g., during highspeed cutting-tool operations, such metastable coatings separate into TiN and either NaCl-or wurtzite-structure AlN as bulk diffusion becomes active. [12][13][14][15] This is believed to be responsible in part for the improved wear resistance of TiAlN coatings which has been extensively studied both experimentally [12,13,15] and theoretically. [12,[15][16][17][18] During growth, limited short-range clustering is likely to occur [19] and must be taken into account in order to obtain a complete atomistic understanding of these materials.…”

Section: Introductionmentioning

confidence: 99%

Effect of Al substitution on Ti, Al, and N adatom dynamics on TiN(001), (011), and (111) surfaces

et al. 2014

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Substituting Al for Ti in TiN(0 0 1), TiN(0 1 1), and N-and Ti-terminated TiN(1 1 1) surfaces has significant effects on adatom surface energetics which vary strongly with the adatom species and surface orientation. Here, we investigate Ti, Al, and N adatom surface dynamics using density functional methods. We calculate adatom binding and diffusion energies with both a nudged elastic band and grid-probing techniques. The adatom diffusivities are analyzed within a transition-state theory approximation. We determine the stable and metastable Ti, Al, and N binding sites on all three surfaces as well as the lowest energy migration paths. In general, adatom mobilities are fastest on TiN(0 0 1), slower on TiN(1 1 1), and slowest on TiN(0 1 1). The introduction of Al has two major effects on the surface diffusivity of Ti and Al adatoms. First, Ti adatom diffusivity on TiN(0 0 1) is significantly reduced near substituted Al surface atoms; we observe a 200% increase in Ti adatom diffusion barriers out of fourfold hollow sites adjacent to Al surface atoms, while Al adatom diffusivity between bulk sites is largely unaffected. Secondly, on TiN(1 1 1), the effect is opposite; Al adatoms are slowed near the substituted Al surface atom, while Ti adatom diffusivity is largely unaffected. In addition, we note the importance of magnetic spin polarization on Ti adatom binding energies and diffusion path. These results are of relevance for the atomistic understanding of Ti 1−x Al x N alloy and Ti 1−x Al x N/TiN multilayer thin-film growth processes.

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“…However, when it is subjected to high temperatures, such as during cutting operations, bulk diffusion is activated and the film starts to decompose into c-TiN and either c-AlN or wurtzite AlN (w-AlN) [30][31][32][33][34][35]. This is part of the reason behind the improved wear resistance observed experimentally [30,31,33,34] and the interest in theoretical investigations [30,34,[36][37][38].…”

Section: Introductionmentioning

confidence: 99%

A Theoretical Study of Piezoelectricity, Phase Stability, and Surface Diffusion in Disordered Multicomponent Nitrides

Tholander¹

2014

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Disordered multicomponent nitride thin film can be used for various applications. The focus of this Licentiate Thesis lies on the theoretical study of piezoelectric properties, phase stability and surface diffusion in multifunctional hard coating nitrides using density functional theory (DFT).Piezoelectric thin films show great promise for microelectromechanical systems (MEMS), such as surface acoustic wave resonators or energy harvesters. One of the main benefits of nitride based piezoelectric devices is the much higher thermal stability compared to the commonly used lead zirconate titanate (PZT) based materials. This makes the nitride based material more suitable for application in, e.g., jet engines.The discovery that alloying AlN with ScN can increase the piezoelectric response more than 500% due to a phase competition between the wurtzite phase in AlN and the hexagonal phase in ScN, provides a fundamental basis for constructing highly responsive piezoelectric thin films. This approach was utilized on the neighboring nitride binaries, where ScN or YN was alloyed with AlN, GaN, or InN. It established the general role of volume matching the binaries to easily achieve a structural instability in order to obtain a maximum increase of the piezoelectric response. For Sc 0.5 Ga 0.5 N this increase is more than 900%, compared to GaN. Y 1−x In x N is, however, the most promising alloy with the highest resulting piezoelectric response seconded only by Sc 0.5 Al 0.5 N.Phase stability and lattice parameters (stress-strain states) of the Y 1−x Al x N alloy have been calculated in combination with experimental synthesis.Hard protective coatings based on nitride thin films have been used in industrial applications for a long time. Two of the most successful coatings are TiN and the metastable Ti 1−x Al x N. Although these two materials have been extensively investigated both experimentally and theoretically, at the atomic level little is known about Ti 1−x Al x N diffusion properties. This is in large part due to problems with configurational disorder in the alloy, because Ti and Al atoms are placed randomly at cation positions in the lattice, considerably increasing the complexity of the problem. To deal with this issues, we have used special quasi-random structure (SQS) models, as well as studying dilute concentrations of Al.One of the most important mechanisms related to the growth of Ti 1−x Al x N is surface diffusion. Because Ti 1−x Al x N is a metastable material it has to be grown iii iv as a thin film with methods such as physical vapor deposition (PVD), in which surface diffusion plays a pivotal role in determining the microstructure evolution of the film.In this work, the surface energetics and mobility of Ti and Al adatoms on a disordered Ti 0.5 Al 0.5 N(0 0 1) surface are studied. Also the effects on the adatom energetics of Ti, Al, and N by the substitution of one Ti with an Al surface atom in TiN(0 0 1), TiN(0 1 1), and TiN(1 1 1) surfaces is studied. This provides an indepth atomistic understanding o...

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Thermal Treatment Effects on Microstructure and Mechanical Properties of TiAlN Thin Films

Cited by 44 publications

References 31 publications

Microstructure evolution during the isostructural decomposition of TiAlN—A combined in-situ small angle x-ray scattering and phase field study

Microstructure evolution during the isostructural decomposition of TiAlN—A combined in-situ small angle x-ray scattering and phase field study

Effect of Al substitution on Ti, Al, and N adatom dynamics on TiN(001), (011), and (111) surfaces

A Theoretical Study of Piezoelectricity, Phase Stability, and Surface Diffusion in Disordered Multicomponent Nitrides

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