Stress-dependent prediction of metastable phase formation for magnetron-sputtered V1−xAlxN and Ti1−xAlxN thin films

Liu, Sida; Chang, Keke; Mušić, Denis; Chen, Xiang; Mráz, Stanislav; Bogdanovski, Dimitri; Hans, Marcus; Primetzhofer, Daniel; Schneider, Jochen M.

doi:10.1016/j.actamat.2020.06.044

Cited by 29 publications

(12 citation statements)

References 61 publications

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“…As shown in the equilibrium phase diagram of Figure 3A, the solubility between Cu and W is close to zero, whereas in the deposited Insets reproduced from Refs. [36][37][38] with permission from Elsevier.…”

Section: Quantitative Calculation Modelmentioning

confidence: 99%

“…Recently, by applying a newly-developed calculation model, Liu et al [36,50] successfully predicted the metastable phase formation diagrams of the Ti-Al-N and V-Al-N coating systems. Using the V-Al-N system as an example, it can be seen from the equilibrium phase diagram of Figure 5A that the solubility of Al in fcc-VN is almost zero, whereas in the PVD coatings, the solubility of Al in fcc-V 1-x Al x N can be as high as x = 0.62.…”

Section: Model Applicabilitymentioning

confidence: 99%

“…Liu et al [36] further revealed the linear relationship between the maximum solubility of Al and the residual stress in fcc-Ti 1-x Al x N and fcc-V 1-x Al x N coatings, adjusted the calculation model and predicted the metastable phase formation diagrams of TiAlN and VAlN coatings under the effect of compressive residual stress. In the metastable phase formation diagram established, the solubility of Al in V 1-x Al x N, for example, extends to a range of 0.42 ≤ x ≤ 0.77, which covers all the experimental data available in the open literature (0.52 ≤ x ≤ 0.75) [Figure 6].…”

Section: Model Applicabilitymentioning

confidence: 99%

“…Quantitative metastable phase formation diagrams have been well established for cubic TM-Al-N coating systems using surface diffusion kinetics simulations [36,50] , which pave the way for accurate control of phase constitutions during a PVD process. In the deposited TiAlN coating, for instance, the maximum solubility of Al in the fcc-TiAlN has been determined as 0.90, both computationally and experimentally [36] .…”

Section: Temperaturementioning

confidence: 99%

“…Towards this end, this review introduces some of the recent research advances related to phase formation during coating deposition (Section 2), phase transformation in service (Section 3) and materials optimization (Section 4) targeted for demanding working conditions (as shown in Figure 1 [36][37][38] ). Through the elaboration of each research case, this review provides new insights into the surface protection of materials serving in harsh environments based on phase diagram databases.…”

Section: Introductionmentioning

confidence: 99%

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Development of robust surfaces for harsh service environments from the perspective of phase formation and transformation

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The rise of the materials genome and materials informatics has enabled the accelerated development of robust surfaces for harsh service environments in the nuclear, aerospace and marine industries. Accurate information on the phase formation and transformation of materials (particularly coating materials) in synthesis and service processes is a prerequisite for the successful optimization of their properties. However, both these processes proceed under non-equilibrium conditions, making the traditional CALPHAD (CALculation of PHAse Diagrams) approach incapable of describing the phase relation and stability. Hence, this study provides a brief review on the recent research advances pertaining to the phase formation during coating deposition, the phase transformation in service and the materials optimization targeted for demanding working conditions. We also summarize the challenges of expanding phase diagram databases with a wide adaptability to metastable phase formation and non-equilibrium phase transformation in multicomponent systems. Through the elaboration of each research case, this review provides new insights into the surface protection of materials serving in harsh environments.

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Section: Quantitative Calculation Modelmentioning

confidence: 99%

Section: Model Applicabilitymentioning

confidence: 99%

Section: Model Applicabilitymentioning

confidence: 99%

Section: Temperaturementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Development of robust surfaces for harsh service environments from the perspective of phase formation and transformation

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High-temperature wear mechanisms of TiNbWN films: Role of nanocrystalline oxides formation

Chen

Zhang

et al. 2022

Friction

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Refractory high/medium entropy nitrides (HENs/MENs) exhibit comprehensive application prospects as protective films on mechanical parts, particularly those subjected to sliding contacts at elevated temperatures. In this study, a new MEN system TiNbWN, forming a single fcc solution, is designed and its wear performance at temperatures ranging from 25 to 750 °C is explored. The wear mechanisms can be rationalized by examining the subsurface microstructural evolutions using the transmission electron microscopy as well as calculating the phase diagrams and interfacial adhesion behavior employing calculation of phase diagram (CALPHAD) and density functional theory (DFT). To be specific, increased wear losses occur in a temperature range of 25–600 °C, being predominantly caused by the thermally-induced hardness degradation; whereas at the ultimate temperature (750 °C), the wear loss is refrained due to the formation of nanocrystalline oxides (WnO3n−2, TiO2, and γTiOx), as synergistically revealed by microscopy and CALPHAD, which not only enhance the mechanical properties of the pristine nitride film, but also act as solid lubricants, reducing the interfacial adhesion. Thus, our work delineates the role of the in situ formed nanocrystalline oxides in the wear mechanism transition of TiNbWN thin films, which could shed light on the high-temperature wear behavior of refractory HEN/MEN films.

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Dependence of characteristics of Hf(M)SiBCN (M = Y, Ho, Ta, Mo) thin films on the M choice: Ab-initio and experimental study

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Stress-dependent prediction of metastable phase formation for magnetron-sputtered V1−xAlxN and Ti1−xAlxN thin films

Cited by 29 publications

References 61 publications

Development of robust surfaces for harsh service environments from the perspective of phase formation and transformation

Development of robust surfaces for harsh service environments from the perspective of phase formation and transformation

High-temperature wear mechanisms of TiNbWN films: Role of nanocrystalline oxides formation

Dependence of characteristics of Hf(M)SiBCN (M = Y, Ho, Ta, Mo) thin films on the M choice: Ab-initio and experimental study

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