A comparative study of titanium nitride (TiN), titanium oxy nitride (TiON) and titanium aluminum nitride (TiAlN), as surface coatings for bio implants

Subramanian, B.; Muraleedharan, C. V.; Ramadoss, Ananthakumar; Jayachandran, M.

doi:10.1016/j.surfcoat.2011.05.004

Cited by 247 publications

(99 citation statements)

References 39 publications

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“…Since alloying TiN with AlN can be used to improve properties such as hardness [1][2][3][4][5][6] and oxidation resistance, [7][8][9] Ti 1−x Al x N thin films currently enjoy a wide range of applications, from wear-resistant coatings for high-speed cutting tools [10] to use as bio-implant coatings. [11] Ti 1−x Al x N is a metastable alloy which can be synthesized by low-temperature kineticallylimited physical vapor deposition, in which phase separation is hindered by lack of bulk diffusion and limited surface diffusion. 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.…”

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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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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“…This makes it possible to use it in a wide range of applications, e.g. high-speed cutting tools [18] and bio-implant coatings [19].…”

Section: Hard Coatingsmentioning

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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“…Coating deposition on titanium alloys attracts attention by acting as barriers to the metallic diffusion. The corrosion products release metallic ions in the biological environment and may cause toxicity, allergy and mutagenicity 5 . Most of the transition metals form binary or ternary nitrides with good mechanical, tribological, protective and biocompatibility properties.…”

Section: Introductionmentioning

confidence: 99%

“…Most of the transition metals form binary or ternary nitrides with good mechanical, tribological, protective and biocompatibility properties. In recent years, nitrides as TiN, ZrN, TiAlN, NbN, TaN and VN are used as protective layers against wear and corrosion in order to increase the prostheses and implants lifetime 5 . Cubillos et al 6 reported ZrN coated steel corrosion in NaCl solution due to pitting.…”

Section: Introductionmentioning

confidence: 99%

Corrosion Behavior Analysis of Plasma-assited PVD Coated Ti-6Al-4V alloy in 2 M NaOH Solution

et al. 2017

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The work aims the study of the corrosion behavior of nitride plasma-assisted PVD coated Ti-6Al-4V alloy in 2 M NaOH at 25 and 60°C, using open-circuit potential (OCP) versus time measurements, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). The uncoated Ti6Al-4V alloy showed a passive behavior. The TiN and TiAlN/TiAlCrN coated Ti-6Al-4V alloy also presented a passive behavior and the corrosion potential remained at the same range when compared with the potential of the uncoated alloy. The TiN hard coating showed a superior corrosion resistance, which was evidenced by lower corrosion current densities and higher impedance values. The increase in temperature decreased the corrosion resistance of both uncoated and coated alloy in NaOH.

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A comparative study of titanium nitride (TiN), titanium oxy nitride (TiON) and titanium aluminum nitride (TiAlN), as surface coatings for bio implants

Cited by 247 publications

References 39 publications

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

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

Corrosion Behavior Analysis of Plasma-assited PVD Coated Ti-6Al-4V alloy in 2 M NaOH Solution

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