Flexible CZTSSe thin film solar cells fabricated at low temperature with relieved residual stress by Sb incorporation

The troublesome residual stress is always a stumbling block that drags the progress pace of flexible CZTSSe thin film solar cells, which urgently needs to be noticed and solved. In this paper, low-temperature prepared CZTSSe absorber with relieved residual stress (0.558 GPa) is realized by Sb incorporation. Owing to the evaporated 20 nm Sb layer under CZTS precursor, the crystalline quality and band mismatching of CZTSSe/CdS interface are simultaneously improved. Additionally, the spatial potential fluctuation extracted from the PL results is found to decrease from 63.26 meV to 41.57 meV, indicating a reduction in band tailing and disorder of CZTSSe absorber. Compared with the general solar cells fabricated at 580 °C, flexible devices with Sb incorporation can maintain a slightly higher performance at a lower temperature about 60 °C. The best power conversion efficiency (PCE) of 4.41% is obtained in the solar cell with 550 °C-selenized CZTSSe absorber after incorporating 20 nm Sb layer, featuring 351.20 mV Voc, 25.73 mA/cm² Jsc and 48.79% FF. Finally, low-temperature prepared flexible CZTSSe thin film solar cell can retain over 83% of the original PCE after bending at 180° for 40 cycles. The mechanical durability paves a promising way for flexible CZTSSe thin film solar cell in roll-to-roll production.     

Effect of material properties on residual stress distribution in thermal barrier coatings

Residual stress has a significant influence on the crack nucleation and propagation in thermal barrier coatings (TBC) system. In this work, the residual stress in the air plasma spraying (APS) TBC system during cooling process was numerically studied, and the influence of the material properties of each layer on the residual stress was investigated. The morphologies of the interface were described by a piecewise cosine function, and the amplitude for each segment gradually increases. The elasticity, plasticity and creep of top coat (TC), thermally grown oxide (TGO) layer and bond coat (BC) were considered and the elasticity and creep of the substrate layer were taken into account. The material properties of all layers vary with temperature. The results show that the material properties have complex influence on the residual stress during cooling. The effect of the material properties of TC and BC on the residual stress at the interface is relatively large, and that of TGO and substrate is relatively small. These results provide important insight into the failure mechanism of air plasma spraying thermal barrier coatings, and important guidance for the optimization of thermal barrier coating interfaces.     

Silica-sol-based spin-coating barrier layer against phosphorous diffusion for crystalline silicon solar cells

The phosphorus barrier layers at the doping procedure of silicon wafers were fabricated using a spin-coating method with a mixture of silica-sol and tetramethylammonium hydroxide, which can be formed at the rear surface prior to the front phosphorus spin-on-demand (SOD) diffusion and directly annealed simultaneously with the front phosphorus layer. The optimization of coating thickness was obtained by changing the applied spin-coating speed; from 2,000 to 8,000 rpm. The CZ-Si p-type silicon solar cells were fabricated with/without using the rear silica-sol layer after taking the sheet resistance measurements, SIMS analysis, and SEM measurements of the silica-sol material evaluations into consideration. For the fabrication of solar cells, a spin-coating phosphorus source was used to form the n⁺ emitter and was then diffused at 930°C for 35 min. The out-gas diffusion of phosphorus could be completely prevented by spin-coated silica-sol film placed on the rear side of the wafers coated prior to the diffusion process. A roughly 2% improvement in the conversion efficiency was observed when silica-sol was utilized during the phosphorus diffusion step. These results can suggest that the silica-sol material can be an attractive candidate for low-cost and easily applicable spin-coating barrier for any masking purpose involving phosphorus diffusion.     

Enhanced thermal stability by introducing TiN diffusion barrier layer between W and SiC

The combination of W and SiC has many applications such as a hot cell of a thermionic energy converter, nuclear material, and high temperature microelectronics. In this study, a 2 µm thick TiN film is introduced as a diffusion barrier between SiC and W to avoid the inter-diffusion reaction at high temperature. The effect of annealing temperature on the surface morphology and microstructure of the TiN film is studied to explore its high temperature stability. Then 500 nm W film is sputtered on the TiN film to characterize the inter-diffusion and stability of the W/TiN/SiC multilayer at 1100°C by XRD, Raman spectroscopy and cross-sectional EDS mapping techniques. The results indicate that the W/TiN/SiC multilayer is very stable even when heated at 1100°C for 25 hours.     

Local residual stress evolution of highly irregular thermally grown oxide layer in thermal barrier coatings

Local residual stress in thermally grown oxide (TGO) layers is the primary cause of failure of thermal barrier coating (TBC) systems, especially TBCs prepared by air plasma spray (APS) with a highly irregular TGO. Herein, the distribution of residual stress and the evolution of the irregular TGO layer in APS TBCs were investigated as a function of oxidation time. The stress was measured from cross-sectional micrographs and converted to the actual stress inside the coatings before sectioning. The TGO exhibited significant inhomogeneity at different locations. Stress conversion occurred across the TGO thickness; the layer near the yttria-stabilised zirconia (YSZ) component exhibited compressive stress, whereas that along the bond coat was under tensile stress. The evolution of the compressive stress is also discussed. These analyses may provide a better understanding of the mechanism of APS TBCs.     

Fabrication of dense and defect-free diffusion barrier layer via constrained sintering for solid oxide fuel cells

To enable the development of next-generation solid oxide fuel cells (SOFCs), the fabrication of dense and defect-free diffusion barrier layers via constrained sintering has been a significant challenge. Here, we present a double layer technique that enables complete densification of a defect-free gadolinia-doped ceria diffusion barrier layer. In this approach, top and bottom layers were individually designed to perform unique functions based on systematic analysis of constrained sintering. The top layer, which contains 1 wt% CuO as a sintering aid, provides sufficient sintering driving force via liquid-phase sintering to allow complete densification of the film, while the bottom layer without a sintering aid prevents detrimental chemical reactions and regulates the global sintering rate to eliminate macro-defects. Such fabrication of dense diffusion barrier layers via a standard ceramic processing route would allow the use of novel cathode materials in practical SOFC manufacturing. Furthermore, the strategy presented in this study could be exploited in various multi-layer ceramic applications involving constrained sintering.     

Film thickness effect on texture and residual stress sign transition in sputtered TiN thin films

Residual stress in thin films and coatings strongly affects their properties and behavior in service. Comprehensive understanding and precise measurements of residual stress are prerequisites for preparing high quality films and coatings. Residual stresses in TiN films with different thickness were measured by X-ray diffraction (XRD) employing the cos²α sin²ψ method with certain optimization. Grazing incidence parallel beam optics was combined with side-inclination geometry using in-house designed sample stage to ensure results accuracy. To validate this method, TiN films with thickness ranging from 1 to 3 µm were deposited on (100) Si single crystal substrates at 300 °C by RF magnetron sputtering. High compressive −2 GPa residual stress was present in the 0.9 µm thick film and decreased with film thickness. Tensile stress of less than 0.3 GPa was present in 2 µm TiN film. Compressive-to-tensile residual stress transition was observed with the film thickness increase. Microstructure change with growth, annihilation of grain boudaries, atomic peening and recovery mechanisms are responsible for the reported stress sign transition.     

Evolution of internal cracks and residual stress during deposition of TBC

Thermal barrier coating (TBCs) are ceramic coatings that are deposited on metallic substrates to provide high thermal resistance. Residual stress is among the critical factors that affect the performance of TBCs. It evolves during the process of coating deposition and in-service loading. High residual stresses result in significant cracking and premature delamination of the TBC layer. In the present study, a hybrid computational approach is used to predict the evolution of internal cracks and residual stress in TBC. Smooth particle hydrodynamics (SPH) is first used to model the deposition of yttria-stabilized zirconia (YSZ) layer that contains various interfaces and micropores on a steel substrate. Then, three-dimensional (3D) finite element analysis is utilized to predict the evolution of internal cracks and residual stress in the ceramic coating layer. It is found that multiple cracks emerge during the solidification of the coating layer due to the development of high tensile (quenching) stresses. The cracking density is higher at regions near the coating interface. It is also found that compressive (residual) stresses are developed when the deposited coating is cooled to room temperature. The residual stress state is equibiaxial and nonlinear across the thickness/width of the TBC layer. The residual stress profile predicted compares well with that of hole drilling experiments.     

Thermal stability enhancement of Cr2AlC coatings on Zr by utilizing a double layer diffusion barrier

Decomposition of Cr₂AlC deposited onto a Zr substrate and vacuum-annealed is observed at 800 °C as Al diffuses from the MAX phase into the Zr substrate. A double layer of ZrN and AlN has been predicted by CALPHAD calculations to act as diffusion barrier between the Zr substrate and Cr₂AlC. Experimental thermal stability investigations corroborate this prediction by confirming that the proposed double layer diffusion barrier coatings suppress the decomposition of Cr₂AlC for one hour at temperatures of up to 1000 °C.     

Nondestructive measurements of residual stress in air plasma-sprayed thermal barrier coatings

Premature spallation of thermal barrier coatings (TBCs) is a critical issue during the service of gas turbines, and nondestructive evaluation is crucial to address this problem. Herein, a novel approach that indicates delamination by measuring the residual stress evolution of thermally grown oxide (TGO) for air plasma spraying (APS) TBCs is proposed and verified via the combination of photoluminescence piezo-spectroscopy (PLPS) and X-ray computed tomography. A mineral-oil-impregnating approach and a cold-mount low-shrinkage epoxy-mounting approach are used to alleviate the signal attenuation by pores and microcracks in APS TBCs, improving the detectable PLPS signal and X-ray transmission for stress measurement and delamination characterization, respectively. We have nondestructively measured the TGO residual stress mapping in APS TBCs and its evolution with oxidation. Furthermore, the evolution of TGO morphology and critical microcracks are obtained by X-ray computed tomography. The synchronous evolution of TGO residual stress, TGO thickness, and critical microcracks as a function of oxidation time is obtained and correlated. The transition point, as experimentally identified, at which the TGO stress starts to drop, agrees well with the critical moment of microcrack coalescence. This directly verifies that the TBC delamination can be effectively indicated by residual stress evolution of TGO in APS TBCs.     

Introducing segmentation cracks in air plasma-sprayed thermal barrier coatings by controlling residual stress

Segmentation cracks are crucial for enhancing the strain tolerance and decreasing the propensity of delamination for thermal barrier coatings (TBCs). In this study, segmentation cracks were prepared in air plasma-sprayed TBCs by controlling the residual stress. The evolution of the stress in the coating was characterized via photoluminescence piezospectroscopy using trace α-Al₂O₃ impurities as stress sensor. Tensile stress (~170 MPa) formed in the as-deposited coating was converted into compressive stress through further thermal exposure. The relationship between the formation of the segmentation cracks and stress in the coating was investigated. It was demonstrated that the segmentation cracks could be formed when a critical coating thickness is achieved. The critical coating thickness and spacing of the segmentation cracks dependent on the tensile stress in the as-deposited coating, and they could be manipulated by controlling the deposition and substrate temperatures. In addition, the evolution of the microstructure and phase composition of the yttria-stabilized zirconia coating was examined.     

Residual stress distribution along interfaces in thermal barrier coating system under thermal cycles

The residual interfacial stress plays an important role in crack initiating and propagating along the interface, which could result in delamination failure of the thermal barrier coatings (TBCs). In this study, the finite element model of air plasma spraying(APS) TBCs was established to assess the level and distribution of residual stress along top coat(TC)/thermally grown oxide (TGO) and bond coat (BC)/TGO interfaces under thermal cycles. Instead of using vertical stress S₂₂ in global coordinate system, the normal and tangential components in the local system along the interfaces, transformed from stress components S₁₁, S₂₂, and S₁₂ in the global one, were used to evaluate the way the cracks initiate and propagate along the interfaces. Firstly, the effect of the number of thermal cycles on residual stress was investigated. It was found that, for the TBCs model without TGO growth and crack, the impact of the number of thermal cycles on the stress is very insignificant and could be ignored. So the present study only chose to focus on the first thermal cycle. Then the influence of the TGO thickness and the interface amplitude on the normal and tangential residual stresses for both homogeneous and inhomogeneous temperature fields was explored. The results show that the TGO thickness, interface amplitude and temperature field affect the residual stress level and distribution, leading to different fracture mechanisms along TC/TGO and TGO/BC interfaces. Finally, the difference between the vertical stress in the global coordinate system and the normal stress in the local coordinate system was studied. Compared with vertical stress S₂₂, the stress components normal and tangential to the TC/TGO and TGO/BC interfaces are more appropriate to describing the stress distribution along the interfaces and predicting the propensity of crack initiating and propagating along the interfaces.     

Effect of crystallization on the macro and micro residual stress of enamel coating

In this paper, we investigate microstructural and mechanical properties of enamel coating after different heat treatment periods. The results show that the refractory BaAl₂Si₂O₈, CaAl₂Si₂O₈ and MgCr₂O₄ crystals precipitate from parent enamel, and crystallization volume fraction reaches saturation at 40 % after heat treatment 32 h. Moreover, from the experimental and theoretical analysis of residual stress, the macro and micro compressive residual stresses increase with increasing the crystallized volume fraction. And, the continuous macro compressive residual stress and small-scale microstructure inhomogeneities could significantly lead to the shear stress concentration near the enamel coating surface, which results in the typical fish-scaling failure of enamel. Meanwhile, we also find that a slit method with geometric phase analysis (GPA) under focused ion beam scanning electron microscopy (FIB/SEM) system could more reliably characterize residual stress of enamel coating because of phase transformation than traditional X-ray diffraction (XRD) method.     

Effects of TGO growth on the stress distribution and evolution of three-dimensional cylindrical thermal barrier coatings based on finite element simulations

Based on the ultrasonic C-scan results of 8YSZ coatings after thermal cycles, three-dimensional cylindrical numerical simulations of the physical geometry model of the thermal barrier coating (TBC) sinusoidal surfaces were conducted with finite elements to estimate the stress distribution and evolution law of the top coat (TC)/bond coat (BC) interface, including the centre and edge of the specimen affected by the dynamic growth of the thermally grown oxide (TGO). The results show that when a layer of TGO is grown on the TC/BC interface, compressive stress is uniformly distributed on the TGO interface, and the stress value decreases as a function of the TGO layer thickness. When the thickness of the TGO exceeds a certain value, the compressive stress of all parts of the interface gradually changes to tensile stress; meanwhile, the edges of the model affected by the crest and trough effects of the wave are reflected in the radial and circumferential directions, especially along the axial direction, with alternating concentrated tensile and compressive stresses. TGO growth imposes a minor influence on the magnitude and distributions of the radial and circumferential stresses at the BC interface. The linear elasticity, creep, fatigue, and stress accumulation effects of each layer of TBCs in each thermal cycle were fully considered in this model. The model not only interprets the crest and trough effects of the TC/BC surface interface during the growth of TGO, but also interprets the effects of the core and edge of the cylindrical model, further revealing the reason for which the core and edge of the TBC will most likely form cracks.     

Effect of substrate curvature on residual stresses and failure modes of an air plasma sprayed thermal barrier coating system

A set of aerofoil shaped air plasma sprayed thermal barrier coated (APS-TBC) specimens were adopted in this paper to investigate the stress distributions in the ceramic top coat (TC) and the thermally grown oxide (TGO), the mechanism of local crack generation and propagation at the TC/BC (bond coat) interface. The failure mode of the TBC system, the distribution of asperities at TC/BC interface, thickness of the TC and BC, and the TC microstructure were found to be influenced by substrate curvature. Residual stress was therefore measured across the thickness of the TC, along the undulating TGO and mapped at locations of asperities where failure tended to occur to interpret the initiation of local failure. The role of the TGO was investigated via its chemical bonding with the TC and the decohesion occurring at the TGO/BC interface. The crack propagation at the interface has been discussed with respect to the macro-failure of the TBC system.     

Simulation of residual stress in thick thermal barrier coating (TTBC) during thermal shock: A response surface-finite element modeling

The current study demonstrates a well-designed response surface methodology (RSM), based on the generated dataset of finite element method (FEM) to establish an integrated model for simulation of residual stress distribution in a thick thermal barrier coating (TTBC). In this study, typical TTBCs were applied on Hastelloy X Nickel-based superalloy using air plasma spray technique followed by thermal cycling. The recorded stress data of Raman spectroscopy was employed to verify the proposed FEM model. A relatively good agreement was obtained between predicted residual stresses and measured ones. Verified FEM model was used to carry out the parametric studies to evaluate the effects of such various parameters as interface amplitude, wavelength, thermally grown oxide thickness and preheating temperature on the stress distribution in the TTBC during the thermal cycling. The computed data were subsequently used for the development of RSM model. In conclusion, experimentally verified numerical data was used to construct a statistical model based on RSM and successfully used to predict the residual stress distribution field in TTBC during thermal cycling. The obtained results of hybrid FEM- RSM model were in acceptable conformity with Raman spectroscopy measurements.     

Thermomechanical simulations of the transient coupled effect of thermal cycling and oxidation on residual stresses in thermal barrier coatings

Failures in thermal barrier coatings (TBCs) are associated with the build-up of residual stresses that result from thermal cycling, growth strain, and stress relaxation associated with high temperatures. To address these highly coupled processes, three aspects were examined. The first was concerned with the effect of thermal cycling and thermal gradients on the resulting residual stress fields. The second with the dynamic growth of thermally grown oxide (TGO) layer using novel finite volume-finite element algorithms. In the third, we examined the effect of stress relaxation on the (TC/TGO) interface. We modelled these highly coupled processes using transient thermomechanical finite element simulations. The temperature profile and state of oxidation variation with time were imported as a predefined field and solved in ANSYS nonlinear platform. Our results revealed that stress relaxation of the TGO stresses at high temperatures leads to a reduction in the TC/TGO interfacial stresses. They also revealed that the use of the isotropic hardening rule limits the increase in plastic deformation of the bond coat (BC), while the use of kinematic hardening rule leads to ratcheting. Furthermore, we highlighted the importance of considering uneven growth of TGO on the resulting stress field.     

Theoretical modeling based on stress wave propagation and experimental verification of residual stress in stereolithography printed ZrO2 ceramic suspensions

Zirconia ceramics are widely used in medical and dental industry due to their excellent biocompatibility and aesthetics. In this respect, stereolithography apparatus (SLA) is popular method for 3D printing of ceramic suspensions. However, deformation and cracking of SLA-printed ceramics caused by residual stress seriously limit their application in clinical dentistry. In this investigation, 75 wt. % ZrO₂ suspensions were successfully prepared, and ZrO₂ ceramic composites were produced via SLA 3D printing. Special attention was paid to the establishment of theoretical model of residual stress in SLA. According to results, the development of residual stress in SLA-printed ceramics depended on various parameters such as laser power, scanning speed, and radius of curvature, as well as linear shrinkage, stress wave, and pure bending stress. The variations of surface residual stress at different laser beam powers, scan speeds, and radii of curvature were found to be consistent with that predicted theoretically. The errors between the theoretical and experimental value were 2.8%, 1.4%, 4.3%, 5.3%, and 4.2%, respectively, when the laser beam powers increased in turn. The errors between the theoretical and the experimental value were 2.5%, 3.9%, 2.8%,2.4%, and 3.8%, respectively, when the scan speeds increased in turn. Thus, theoretical model established was proved high accuracy and conformity to 3D printing standards.     

Effect of cooling rate on residual stress and mechanical properties of laser remelted ceramic coating

Mild steel substrates were coated with commercially available alumina and chromia powders using the powder flame spraying process. The top layers of the flame sprayed coatings were remelted using a 2?kW fiber laser. Thermo-cycles of the laser remelting process were monitored on-line using an infrared pyrometer. Cooling rates were varied using different laser scanning speeds. Surface morphology, microstructure and phases of the laser treated and as-sprayed coatings were investigated using optical microscopy, scanning electron microscopy, X-ray diffraction and X-ray tomography. Surface residual stress of the as-sprayed and laser treated coatings was measured using X-ray diffraction. The inherent defects like porosity and inter-lamellar boundary diminish to a great extent upon laser remelting. Surface residual stress of the remelted coatings tends to increase with increase in cooling rate. Surface crack density of the laser treated coating was reduced appreciably when coatings were preheated prior to laser remelting.     

Effect of TGO thickness,pores, and creep on the developed residual stresses in thermal barrier coatings under cyclic loading using SEM image-based finite element model

Thermal barrier coatings (TBC) allow the metallic internal components of gas turbine engines to operate at elevated temperatures near its melting points. Formation of thermally grown oxide (TGO) layers at the top coat (TC) and bond coat (BC) interface induces cracks in the TC that may lead to complete TBC failure due to spallation. An SEM image-based finite element (FE) model is developed using commercial finite element package ABAQUS to investigate the development of residual stresses resulting from cyclic loading of TBCs. The model includes thermo-mechanical material properties and considers the real interface between the coating layers. The model includes real pores based on an SEM image, taking advantage of image processing techniques. Effect of TC surface roughness and pores on the developed residual stresses during thermal cycling is investigated with respect to different TGO thicknesses. The analysis shows that presence of TC roughness causes stress concentration sites during heating that may force horizontal cracks to initiate and propagate with stress values that are indifferent to the TGO thickness. The pores are found to shift stress concentration regions from the TC/TGO interface to the vicinity of the pores during cooling, and that may cause horizontal cracks to start from within the TC with stresses that increase with TGO thickness. Moreover, the effect of creep for all layers on the generated residual stresses is studied. Considering creep gives lower stresses at the end of cooling, however, stress distribution remains the same with and without creep.