HiPIMS induced high-purity Ti3AlC2 MAX phase coating at low-temperature of 700 °C

Ti₃AlC₂, one of Ti-Al-C MAX phases, has received extensive attention due to its unique nano-laminated structure and combined properties of metals and ceramics. However, ultra-high synthesis temperature exceeding 800 °C is a critical challenge for broad application of Ti₃AlC₂ coatings on temperature-sensitive substrates. In this study, Ti-Al-C coatings were deposited on Ti-6Al-4V substrates using high-power impulse magnetron sputtering (HiPIMS) and DC sputtering (DCMS) for comparison. Different from as-deposited amorphous Ti-Al-C coating by DCMS, nanocrystalline TiAl_x compound was achieved by HiPIMS deposition due to highly ionized plasma flux with high kinetic energy. Furthermore, HiPIMS promoted the generation of dense and smooth Ti₃AlC₂ phase coating after low-temperature annealing at 700 °C, while annealed DCMS coating only obtained Ti₂AlC. In-situ XRD demonstrated such Ti₃AlC₂ phase could be early involved in crystallization at 450 °C, lowest than synthesis temperature ever reported. The mechanical properties of Ti₃AlC₂ coating were also discussed in terms of structural evolution.     

TiC/Ti3AlC2–Co plasma-sprayed coatings with excellent high-temperature tribological properties

In this work, TiC/Ti₃AlC₂–Co cermet coatings with varying amounts of Ti₃AlC₂ were deposited by atmospheric plasma spraying (APS) process and their wear-resistant properties were discussed. The friction coefficients and wear rates at high-temperatures were measured through a ball-on-disk type friction test at 600 °C. In addition, the corresponding wear mechanisms were elucidated through the observation of phase changes and surface microstructural evolution of the coatings. The results indicated that the as-prepared coatings consisted of TiC, Ti, TiO₂, Al₂O₃, Co and CoO phases, which were produced by the decomposition and oxidation of TiC and Ti₃AlC₂. Compared with other samples, the sample with 30 wt% Ti₃AlC₂ addition displayed the smallest friction coefficient and least wear rate. Its wear rate was about 1.26 times lower than that of reported TiC–Co cermet material and about 10 times lower than that of the typically used TiC–Ni cermet material, suggesting outstanding wear resistance at elevated temperature. The addition of Ti₃AlC₂ reduced the friction coefficient of the coating by producing more TiC and Al₂O₃ hard phases and a consequent reduction of coating porosity. When the amount of Ti₃AlC₂ in the coating was less than 30 wt%, the main wear mechanism was abrasive wear. As the content of Ti₃AlC₂ was increased in the coating, the wear mechanism changed from abrasive wear to adhesive wear and the wear pattern of the coating gradually transformed from the furrows to the debris. This transformation of mechanism was related to the synergistic effect of hardness and porosity of the coating, which resulted from the remaining content and the special layered structure of Ti₃AlC₂.     

Influence of Y2O3 on the microstructure and tribological properties of Ti-based wear-resistant laser-clad layers on TC4 alloy

Multi-track Ti-based wear-resistant composite coatings were fabricated on TC4 alloy surfaces using laser-clad TC4 + Ni45 + Co–WC mixed powders with different Y₂O₃ contents (0, 1, and 3 wt%). The microstructure, microhardness, and tribological properties of the coatings were characterised using X-ray diffraction, scanning electron microscopy, energy dispersive spectrometry, electron probe X-ray micro analyser, microhardness tester, and friction and wear testing apparatus. The results showed that the number of cracks on the coating surfaces gradually decreased with the addition of Y₂O₃ and that residual Co–WC powders existed in the coating subsurfaces. The phase composition of the coatings with different Y₂O₃ contents remained unchanged and was mainly composed of reinforcing phases of TiC, TiB₂, Ti₂Ni, and matrix α-Ti. With the addition of Y₂O₃, the coating microstructure was remarkably refined, the direction characteristic of the TiC dendrites obviously weakened, and the nucleation rate significantly increased. When the added Y₂O₃ was 3 wt%, a large amount of TiB₂–TiC-dependent growth composite phases precipitated in the coating. The two-dimensional lattice misfit between (0001)_TiB2 and (111)_TiC was 0.912%, which indicated that TiB₂ and TiC formed a coherent interface. When the amount of Y₂O₃ was increased, the microhardness of the coatings gradually decreased, and the wear volume of the coatings first increased and then decreased. Under the effect of the TiB₂–TiC composite phases, the wear resistance of the 3 wt% Y₂O₃ coating was optimal. The 3 wt% Y₂O₃ coating friction coefficient was the lowest, and the wear mechanism was abrasive wear.     

Microstructure,mechanical and electrochemical properties of Ti3AlC2 coatings prepared by filtered cathode vacuum arc technology

Ti₃AlC₂ MAX phases have attracted increasing attention due to their unique properties. However, high synthesis temperatures of Ti₃AlC₂ bulk materials limit their further development. In this work, Ti₃AlC₂ coatings were prepared by a two-step method with filtered cathode vacuum arc (FCVA) deposition at room temperature and annealing at 800 °C for 1 h. The structure and properties of coatings were investigated. The results showed that the formation of Ti₃AlC₂ phase in the annealed coating depended on the C₂H₂ flow rate during deposition. At low C₂H₂ flow rates (≤ 9 sccm), almost no Ti₃AlC₂ phase was formed. As the C₂H₂ flow rate increased, the annealed coatings mainly exhibited Ti₃AlC₂ phases, the texture of which transformed from (104) to (105) planes. Meantime, the hardness of Ti₃AlC₂ coatings continuously increased to a maximum of 20.7 GPa, and the corrosion resistance first increased and then decreased with the increase of C₂H₂ flow rate.     

Laser ablation behavior of flake graphite and SiO2 particle-filled hyperbranched polycarbosilane matrix composite coatings

Composite coatings consisting of flake graphite and SiO₂ fillers in a hyperbranched polycarbosilane (HBPCS) matrix were designed and prepared to meet the requirements of laser protection. The laser ablation behavior of the composite coatings were investigated. Control experiments were designed to study the performance of SiO₂ during laser irradiation. The results show that the introduction of SiO₂ changes the anti-laser protective mechanism and can improve the anti-laser property of the coating. High power laser irradiation results in pyrolysis of HBPCS and the formation of SiC particles. Chemical reactions between SiO₂, graphite, and SiC play an important role in consuming energy, and provide an excellent cooling effect to the substrate, leading to decreased temperature. SiC particles formed on the surface of the laser ablation area act as a shield to prevent the laser from irradiating deeper layers of the coating. Due to the cooling effect and thermal stability of SiC, the proposed coating shows a good anti-laser property.     

Additively-manufactured multiphase coatings with laser protection ability for the repairing of MoSi2-SiC/SiC coated C/C composites

The Si-SiC-MoSi₂ and Si-SiC coatings were proposed to repair the damaged MoSi₂-SiC/SiC coated C/C composites by laser directed energy deposition. Laser ablation was used to assess the repair effect. Results showed that both the repaired coatings with dense structure could restore the geometric size of damaged area. Compared with the Si-SiC-MoSi₂ coating, the Si-SiC repaired coating with higher laser reflectivity and more free Si could reduce the heat generation and enhance the heat dissipation during ablation, which lowered the maximum temperature by 347.49 K and 810.77 K under 300 W and 500 W ablation for 7 s separately, beneficial to avoid the secondary laser damage of the repaired area.     

Microstructure and fracture toughness of in-situ nanocomposite coating by thermal spraying of Ti3AlC2/Cu powder

The low fracture toughness of ceramic coatings has always hindered their wide application. In this study, an in-situ nanocomposite coating was prepared by the atmospheric plasma spraying of a 50 wt% Ti₃AlC₂-50 wt% Cu mixed powder. The in-situ nanocomposite coating was found to have an unusual microstructure with a nano-micrometre phase synergistic enhancement, which consisted of submicrometre-thick layers of Cu and nanoparticles of Cu(Al), Ti₄O₅, TiO₂, and Al₂TiO₅. Thus, in the spraying process, Al was delinked out of Ti₃AlC₂, forming a large amount of plastic Cu(Al) with Cu. The delinked channel provided a path for Cu to diffuse into Ti₃AlC₂, which a spatial Cu network structure was formed in the coating. The in-situ nanocomposite coating has high fracture toughness and crack growth resistance by a three-point bending test. This paper reports a new method to prepare a high-fracture-toughness composite ceramic coating.     

Ablation behavior of C/SiC with YSZ and ZrB2 coatings under high-energy laser irradiation

Carbon fiber-reinforced silicon carbide (C/SiC) composites are important candidates for laser protection materials. In this study, ablation mechanism of C/SiC coated with ZrO₂/Mo and ZrB₂–SiC/ZrO₂/Mo under laser irradiation was studied. ZrB₂–SiC multiphase ceramic and ZrO₂ ceramic were successfully coated on C/SiC composite by atmospheric plasma spraying technology with Mo as transition layer. Phase evolution and morphology of composite were investigated by X-ray diffraction, scanning electron microscopy, and transmission electron microscopy. Moreover, ablation behavior of the composite was investigated by laser confocal microscopy. Results showed that ablation mechanism of C/SiC composite was controlled by phase transformation, thermal reaction, and thermal diffusion, with solid–liquid transition of ZrB₂ and ZrO₂ being dominant factor. Endothermic reaction and good thermal diffusivity of coatings were also important factors affecting ablation performance. Reflectivity effect of ZrO₂ coating was limited under high-energy laser irradiation. Compared with ZrO₂/Mo single-phase-monolayer coating, designed ZrB₂–SiC/ZrO₂/Mo coating showed better ablation performance, and breakdown time of C/SiC increased from 10 to 40 s. The depletion of liquid phase in molten pool was identified as an important factor responsible for rapid failure of C/SiC. The coating failed when the entire liquid phase was consumed within molten pool, followed by rapid damage of C/SiC substrate. Results of this study can provide theoretical guidance and research ideas for design and application of laser protective materials.     

Influence of Ti3AlC2 content and load on the tribological behaviors of Ti3AlC2p/Al composites

In this study, Ti₃AlC₂ particles doped aluminum matrix composites were prepared by ultrasonic agitation casting method. Microstructure, mechanical properties, and tribological properties of pure aluminum and Ti₃AlC_2p/Al composites were characterized. Influence of different loads (10, 20, 30, and 40 N) and Ti₃AlC₂ contents (1.0, 2.0, 3.0, and 4.0 wt%) on the tribological behaviors of the composites were studied. Scanning electron microscopy (SEM), X-ray diffraction (XRD), Energy dispersion spectroscopy (EDS), and 3D laser confocal were used to assist the analysis. The results indicated that fine and uniformly microstructure and the optimum comprehensive mechanical properties were exhibited on 2.0 wt%-Ti₃AlC_2p/Al composites. The abrasive grooves were widened and deepened with an increase in the load. The abrasion performance of composites improved distinctly with the addition of the Ti₃AlC₂ particles, which changed the wear mechanism from adhesive wear to abrasive wear. The 30 N load and the composites of 2.0 wt% Ti₃AlC₂ revealed the optimum tribological properties. The improvement of the tribological behavior of composites was attributed to the refinement of microstructure, the improvement mechanical properties and the three dimensional layered Ti₃AlC₂ phases with self-lubricating properties.     

Investigation on bi-layer coating with La2(Ti0.2Zr0.2Sn0.2Ce0.2Hf0.2)2O7/YSZ prepared by laser cladding

Thermal barrier coatings are an effective technology for improving the high-temperature performance of hot section components in gas turbine engine. Due to their excellent properties, high-entropy oxides are considered to be promising materials for thermal barrier coatings. Laser cladding is a coating preparation technology and the top coat prepared by laser cladding technology has an important application value for thermal barrier coatings. In this work, to improve the thermal cycling behavior of the La₂(Ti_0.2Zr_0.2Sn_0.2Ce_0.2Hf_0.2)₂O₇ high-entropy oxide coating, a bi-layer coating with the La₂(Ti_0.2Zr_0.2Sn_0.2Ce_0.2Hf_0.2)₂O₇ high-entropy oxide layer and the YSZ layer was designed and fabricated by laser cladding on the NiCoCrAlY alloy surface. The microstructure, phase and mechanical properties of the coating were analyzed by X-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy, and micro-hardness and nanoindentation tests, respectively. The results show that a bi-layer La₂(Ti_0.2Zr_0.2Sn_0.2Ce_0.2Hf_0.2)₂O₇/YSZ coating was successfully prepared by the laser cladding method, and shows good bonding at the interface between the layers. The high-entropy oxide layer maintains a relatively stable defective fluorite structure and its microstructure exists in the stable cellular and dendrite crystalline state after laser cladding. The high-entropy oxide layer prepared by laser cladding showed an average elastic modulus of 167 GPa and an average hardness of 1022.8HV in nanoindentation tests. Thermal cycling of the coating was carried out at 1050 °C. Failure of the bi-layer coating occurred after 60 thermal cycles at 1050 °C. Thermal stresses between different layers are calculated during thermal cycling. Due to its excellent mechanical properties, the bi-layer coating with the La₂(Ti_0.2Zr_0.2Sn_0.2Ce_0.2Hf_0.2)₂O₇ high-entropy oxide and YSZ layers is expected to become an effective high-entropy oxide thermal barrier coating.     

Surface changes in Al2O3–base composite ceramics under action of laser treatment

Features of the structural-phase reconstruction of the surface remelted layer (track) of ceramic specimens with different contents of Y₂Ti₂O₇, Y₃Al₅O₁₂, and Al₂O₃ under the action of directional laser heating have been investigated by the XRD, ATR-FTIR, EDS, and AFM methods. It has been established that, depending of the treatment mode (the irradiation power and traverse speed of the laser beam), the phase composition of the remelted layer changes as compared to that of the volume part of the ceramic specimen, and, as a result of the dissociation of predominantly Y₃Al₅O₁₂ and Y₂Ti₂O₇, cavities and asperities appear. High-temperature laser heating and the presence of a temperature gradient in tracks leads to an intensive ablation process from the surface of the tracks, as a result of which the surface layer of the tracks is depleted of the lower-melting components with a (Y₂Ti₂O₇) and is enriched in more refractory components (Al₂O₃). A part of the ablation products is deposited in the form of oxides on the surface of tracks.The obtained results make it possible to represent a multilayer model of ceramics subjected to laser treatment: the ceramic volume proper with a specific phase composition → remelted volume layer with a changed phase composition → surface layer with a new changed phase composition, and deposited ablation products. The thickness of the layers depends on the irradiation mode, and clear-cut boundaries between them are absent.     

In situ TiBX/TiXNiY/TiC reinforced Ni60 composites by laser cladding and its effect on the tribological properties

Ni-based composite coatings reinforced by TiB_X/Ti_XNi_Y/TiC with different Ti6Al4V contents were precipitated on a 35CrMoV substrate via laser cladding. The phase composition, elemental distribution, and precipitated phases of the coatings were characterised using X-ray diffraction, energy dispersive X-ray spectroscopy, scanning electron microscopy, and transmission electron microscopy. The mechanical and tribological properties of the cladding layer were also characterised. The results showed that the coating contained TiB₂, TiC, TiB, Ni₃Ti, and NiTi₂ phases with uniform elemental distribution and grain refinement. A schematic of the growth model and precipitation sequence of the reinforced phases was generated. The microstructure, elemental segregation, hardness, and friction behaviour of the cladding layer were significantly influenced by the addition of Ti6Al4V. The optimal microstructure and best mechanical properties were obtained by the addition of 4 wt% Ti6Al4V, with that coating possessing a hardness, average friction coefficient, and wear volume of 770.8 HV₁, 0.180 and 6132 um³, respectively.     

Improved mechanical properties and toughening mechanism of mullite ceramics reinforced by introducing Ti3AlC2 particles

Ti₃AlC₂, as a toughening phase, was introduced into mullite ceramics for the first time by the pressureless sintering process aiming at improving the mechanical properties. Significant enhancement in density and mechanical performance of mullite ceramics was achieved through the introduction of Ti₃AlC₂ particles. The density of as-prepared mullite–Ti₃AlC₂ composites was increased by 23% (from 2.86 g/cm³ to 3.51 g/cm³) with Ti₃AlC₂ increasing from 0 wt% to 20 wt%. The formation of the liquid phase and decomposed particles from Ti₃AlC₂ are supposed to be responsible for the densification of mullite–Ti₃AlC₂ composites. The optimal mechanical properties were obtained in the mullite–Ti₃AlC₂ composites with 15 wt% Ti₃AlC₂. The bending strength, fracture toughness as well as Vickers hardness were reached 214.36 MPa, 4.84 MPa·m^1/2, and 9.21 GPa, which are 40%, 74%, and 113% higher than pure mullite ceramics, respectively. The improved mechanical performance was mainly attributed to the synergetic action of crack deflection, crack branching and bridging, and strengthened grain boundary.     

2D-HARECXS analysis of dopant and oxygen vacancy sites in Al-doped yttrium titanate

A Y₂Ti₂O₇/Al₂O₃ multilayer, exhibiting high thermal reflectivity and oxidation resistivity, holds potential as a functional surface coating for advanced gas turbine blades. Slight Al doping of Y₂Ti₂O₇ has been found to significantly improve the structural stability of the multilayer, the detailed mechanism of which remains unclear. Hence, we examined the site occupancies of doped Al using high-angular resolution electron channeling X-ray spectroscopy with two-dimensional rocking of the incident electron beam. A statistical linear regression analysis of a set of observed ionization channeling patterns (ICPs) of fluorescent X-rays quantitatively confirmed that Al³⁺ preferentially occupied the Ti⁴⁺ site, rather than the Y³⁺ site, because of the large difference in the ionic radii of Al³⁺ and Y³⁺. Furthermore, the comparison of theoretical and experimental X-ray ICPs showed that oxygen vacancies V_O were introduced at the 48f site, the first-nearest neighbor of the Ti site, which was consistent with the hypothesis that oxygen vacancies compensate for the local charge imbalance associated with preferential substitution of Al³⁺ for Ti⁴⁺. Our findings can aid in improving the thermal properties of environmental barrier coatings applied to advanced jet engines and also demonstrate the utility of beam-rocking schemes for investigating dopant effects in various functional materials.     

Microstructure and High‐temperature Oxidation Behavior of Ti3AlC2/W Composites

Using spark plasma sintering, Ti₃AlC₂/W composites were prepared at 1300°C. They contained “core‐shell” microstructures in which a Ti_xW_1?x “shell” surrounded a W “core”, in a Ti₃AlC₂ matrix. The composite hardness increased with W addition, and the hardening effect is likely achieved by the Ti_xW_1?x interfacial layer providing strong bonding between Ti₃AlC₂ and W, and by the presence of hard W. Microstructural development during high‐temperature oxidation of Ti₃AlC₂/W composites involves α‐Al₂O₃ and rutile (TiO₂) formation ≥1000°C and Al₂TiO₅ formation at ~1400°C while tungsten oxides appear to have volatilized above 800°C. Likely due to exaggerated, secondary grain growth of TiO₂‐doped alumina and the effect of W addition, fine (<1 μm) Al₂O₃ grains formed dense, anisomorphic laths on Ti₃AlC₂/5 wt%W surfaces ≥1200°C and coarsened to large (>5 μm), dense, TiO₂‐doped Al₂O₃ clusters on Ti₃AlC₂/10 wt%W surfaces ≥1400°C. W potentially affects the oxidation behavior of Ti₃AlC₂/W composites beneficially by causing formation of Ti_xW_1?x thus altering the defect structure of Ti₃AlC₂, resulting in Al having a higher activity and by changing the scale morphology by forming dense Al₂O₃ laths in a thinner oxide coating, and detrimentally through release of volatile tungsten oxides generating cavities in the oxide scale. For Ti₃AlC₂/5 wt%W oxidation, the former beneficial effects appear to dominate over the latter detrimental effect.     

Microstructure and mechanical properties of plasma sprayed TiC/Ti5Si3/Ti3SiC2 composite coatings with Al additions

The mass production of MAX phase coatings such as Ti₃SiC₂ and Ti₃AlC₂ using the plasma spraying method is highly challenging due to its ultra-high temperature and short reaction time. In this study, agglomerate powders of 3Ti/SiC/C/xAl with various Al contents (x = 0–1.5) were prepared to form TiC/Ti₅Si₃/Ti₃SiC₂ composite coatings using the plasma spraying technique. The effect of the Al addition on the microstructures and mechanical performances of the as-sprayed coatings was investigated. The addition of Al decreased the TiC content of the coatings while increasing their Ti₃SiC₂ content significantly. The addition of even small amounts of Al improved the MAX phase fraction of the coatings from 8.95 wt% (x = 0) to 34.05 wt% (x = 0.2) and 41.60 wt% (x = 0.5). Excess Al did not affect the Ti₃SiC₂ content of the coatings. The composite coatings showed a lamellar structure with pores and microcracks. With the addition of Al, the microhardness of the coatings increased slightly, while the fracture toughness improved significantly. The composite coatings with Al showed better wear resistance than those without Al. The wear mechanism of the coatings was a combination of adhesive wear, abrasive wear, and oxidative wear.     

Spark plasma sintering of TiB2-based ceramics with Ti3AlC2

A TiB₂–Ti₃AlC₂ ceramic was manufactured by spark plasma sintering at 1900 °C temperature for 7 min soaking time under 30 MPa biaxial pressure. The role of Ti₃AlC₂ additive on the microstructure development, densification behavior, phase evolution, and hardness of the ceramic composite were studied. The phase characterization and microstructural investigations unveiled that the Ti₃AlC₂ MAX phase decomposes at the initial stages of the sintering. The in-situ formed phases, induced by the decomposition of Ti₃AlC₂ additive, were identified and scrutinized by XRD and FESEM/EDS techniques as well as thermodynamics principles. The sintered TiB₂–Ti₃AlC₂ ceramic approached a near full density of ~99% and a hardness of ~28 GPa. The densification mechanism and sintering phenomena were discussed and graphically illustrated.     

Effect of Al atomic layer on the wetting behavior,interface structure and electrical contact properties of silver reinforced by Ti3AlC2 ceramic

Ti₃AlC₂ ceramic exhibits potential in Ag-based composite electrical contact materials, but its interface characteristic with Ag matrix remains unexplored. In this work, sessile drop experiment is carried out to investigate the high-temperature wetting behavior of molten Ag with Ti₃AlC₂. Stable Ti₃AlC₂ is hardly wetted by molten Ag below 1000 °C(contact angle of 148.5°), but the wettability of Ag/Ti₃AlC₂ improves with the increasing temperature(final 14° at ～1130 °C). In contrast, the Ti₃C_2, a MXene with Al layer removed from its parent Ti₃AlC₂, exhibits inferior wettability with Ag(final 56.5° at ～1130 °C). Wetting mechanism of Ag/Ti₃AlC₂ is proposed on the basis of the interfacial structure and chemical composition. Increasing temperature accelerates dissociation of Ti₃AlC₂, and outward-escaping Al reacts with Ag to form interface layer with a composition of Ag_4.86Ti_8.66AlC_7.59, Ag also diffuses along Ti₃AlC₂ grain boundaries and forms gradient reactive products(Ag–Ti–Al–C), which promotes their wettability. Finally comprehensive properties of Ag/Ti₃AlC₂ and Ag/Ti₃C₂ are compared. Al–Ag interdiffusion slightly decreases the electrical conductivity of Ag/Ti₃AlC₂ bulk material, but strengthen the interface bonding of composite and promote the viscosity of the molten pool, leading to the superior mechanical and anti-arc erosion properties. Absence of Al–Ag interdiffusion does remarkably improve the electrical conductivity of Ag/Ti₃C₂ bulk materials, but lack of Al layer damages the mechanical core and wettability with Ag, resulting in a drastic decrease of anti-arco erosion property.     

Phase transitions and He bubble evolution under sequential He ions implantation and Fe ions irradiation: New insight into the irradiation resistant of Ti3AlC2

The phase transitions and He bubble evolution in Ti₃AlC₂ with the sequential He ions implantation and Fe ions irradiation at room temperature were investigated with grazing incidence X-ray diffraction and transmission electron microscopy. The pre-implanted He makes an obviously effect of suppressing the phase transitions caused by the following Fe ions irradiation. The following Fe ions irradiation was also found to create a competitive effect on the evolution of the pre-formed He bubbles. It can cause not only the growth of He bubbles, but the shrinkage (or re-solution of He bubbles). This will improve the resistance to He bubbles induced damage for Ti₃AlC₂. Both He ions implantation and Fe ions irradiation actually inhibit each other's irradiation damage to the material. This may play a positive role in reducing irradiation damage to the Ti₃AlC₂ material, and also provides new insight into irradiation resistance of this material.     

On the determination of the thermal shock parameter of MAX phases: A combined experimental-computational study

Thermal shock resistance is one of the performance-defining properties for applications where extreme temperature gradients are required. The thermal shock resistance of a material can be described by means of the thermal shock parameter R_T. Here, the thermo-mechanical properties required for the calculation of R_T are quantum-mechanically predicted, experimentally determined, and compared for Ti₃AlC₂ and Cr₂AlC MAX phases. The coatings are synthesized utilizing direct current magnetron sputtering without additional heating, followed by vacuum annealing. It is shown that the R_T of both Ti₃AlC₂ and Cr₂AlC obtained via simulations are in good agreement with the experimentally obtained ones. Comparing the MAX phase coatings, both experiments and simulations indicate superior thermal shock behavior of Ti₃AlC₂ compared to Cr₂AlC, attributed primarily to the larger linear coefficient of thermal expansion of Cr₂AlC. The results presented herein underline the potential of ab initio calculations for predicting the thermal shock behavior of ionically-covalently bonded materials.