Machine learning of phases and mechanical properties in complex concentrated alloys

The mechanical properties of complex concentrated alloys (CCAs) depend on their formed phases and corresponding microstructures.The data-driven prediction of the phase formation and associated mechanical properties is essential to discovering novel CCAs.The present work collects 557 samples of various chemical compositions,comprising 61 amorphous,167 single-phase crystalline,and 329 multi-phases crystalline CCAs.Three classification models are developed with high accuracies to category and understand the formed phases of CCAs.Also,two regression models are constructed to predict the hard-ness and ultimate tensile strength of CCAs,and the correlation coefficient of the random forest regression model is greater than 0.9 for both of two targeted properties.Furthermore,the Shapley additive expla-nation (SHAP) values are calculated,and accordingly four most important features are identified.A significant finding in the SHAP values is that there exists a critical value in each of the top four fea-tures,which provides an easy and fast assessment in the design of improved mechanical properties of CCAs.The present work demonstrates the great potential of machine learning in the design of advanced CCAs.     

A novel fabrication procedure for producing high strength hydroxyapatite ceramic scaffolds with high porosity

Hydroxyapatite (HA) scaffolds were fabricated using the space holder method with a pressureless sintering process in a systematically developed manner at different fabrication stages to increase the strength of the scaffold at high porosity. Polyvinyl alcohol (PVA) and Polymethyl methacrylate (PMMA) were used as binders and space holder agents, respectively. The physical properties of the HA scaffolds were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), linear shrinkage test, and porosity measurements. The mechanical properties of the HA scaffolds were analyzed using compressive strength measurements. The results revealed that the HA scaffold met the expected quality requirements with a compressive strength of 2.2 MPa at a porosity of 65.6% with pore sizes distributed in the range of 126–385 μm. The shrinkage of the scaffold diameter occurred by 20.27%, this diameter shrinkage predominantly to the shrinkage of the HA scaffold caused by sintering. Besides, suspect that a higher PMMA concentration causes pore size shrinkage upon sintering. The formation of pore interconnections was evidenced by SEM observations and the ‘translucent light method’ developed in this study. The results of the scaffold phase test using XRD showed that the final scaffold consisted only of the HA phase, as the PVA and PMMA phases burned out during the sintering process.     

Effect of nanostructured grains in co-sputtered Ni-GDC thin-film anode on methane conversion kinetics for low temperature solid oxide fuel cells operating on nearly dry methane

Direct-methane solid oxide fuel cells (DMSOFCs) have recently attracted substantial attention due to their simplified system, reduced cost, and the direct availability of methane fuel obtained from natural gas. Among oxygen-ion conductive materials, doped-ceria such as gadolinium-doped ceria (GDC) or samarium-doped ceria can be incorporated into Ni-based anodes to reinforce their coking resistance, enlarge their electrochemical reaction area, and improve the kinetics of the internal reforming/electrochemical oxidation of methane. To reduce the range of operating temperatures of DMSOFCs while maintaining their performance, the thin film deposition technique of magnetron sputtering was adopted in this work. An Ni-GDC thin-film anode and a Pt thin-film cathode were deposited on scandia-stabilized zirconia (ScSZ) electrolyte supports. This fuel cell was tested with directly supplied methane fuel (3% H₂O) at 500 °C. The results demonstrated the effects of the GDC volume fraction in the anode—which was controlled by co-sputtering power—on open circuit voltage and electrochemical performance. The co-sputtered Ni-GDC anode was able to survive through 36-h operation, although there was some performance degradation. Field-emission scanning electron microscopy results revealed no formation of filamentous carbon on the Ni catalysts, despite the fact that both X-ray photoelectron spectroscopy and Raman spectroscopy analyses detected carbon coking. The relatively high performance and resistance to carbon coking of co-sputtered thin-film anode were attributed to its intrinsic small grain size.     

Physical and electrochemical behavior of affordable Na3SbS4 solid electrolyte at different heat treatment temperatures

High-capacity and affordable all-solid-state Na-ion batteries have gathered increasing interest in recent years owing to low-cost sodium, which contributes to reducing the price of these Na-ion batteries to approximately 70% of that in lithium batteries. However, in terms of electrolyte performance and battery cost, the complete replacement of lithium batteries has a long way to go. In this work, low-cost and high-safety Na₂S·9H₂O materials are used in synthesizing Na₃SbS₄ solid electrolyte, the price of which is only one-fifth that of high-purity Na₂S. The structure and electrochemical properties are studied through X-ray diffraction analysis, Raman spectroscopy, scanning electron microscopy, and electrochemical tests. Results indicate that a multiphase Na₃SbS₄ structure containing cubic and tetragonal phases formed after heat treatment at 300 °C. In addition, a third phase transition of Na₃SbS₄ is inferred after further heating at 600 °C. This phase structure contributes to the improvement of electrochemical performance by promoting increasing ionic conductivity to 0.54 mS cm^?1 at room temperature (25 °C) and reducing activation energy to 0.076 eV. This work provides an affordable material with good electrochemical properties and not only simplifies the preparation but also greatly reduces the risk of the process.     

High stability superhydrophobic glass-ceramic surface with micro–nano hierarchical structure

Inspired by the surface structure of lotus leaves, micro–nano hierarchical surface structures have been widely used for designing superhydrophobic surfaces. However, the conventionally designed superhydrophobic surface structures are fragile. In this study, a layer of micron-sized mullite whiskers was grown using molten salt on the surface of BaAl₂Si₂O₈ (BAS) glass ceramics. Subsquently, SiO₂ nanoparticles modified with 1H,1H,2H,2H-perfluorodecyltriethoxysilane were sprayed onto the whisker layer to form a superhydrophobic surface. The nanoparticles exhibit superhydrophobicity, which is protected by the whisker layer containing pores and bulges. This prohibits direct contact between the nanoparticles and external objects. Contact and rolling angle tests indicated that the surface contact angle of the micro–nano hierarchical structure is 158° and the rolling angle is less than 10°. The stability of the superhydrophobic surface was tested through ultraviolet light, long-time immersion in solutions with various pH values, water scouring, and sandpaper abrasion. The results showed that the contact angle is greater than 150°. This study is expected to provide a simple and effective method for fabricating superhydrophobic surfaces on ceramics on a large scale.     

Optimizing the stability and electrical transport properties of CeNbO4+δ-based oxide ceramics by regulating oxygen ion content

CeNbO_4+δ ceramics have attracted extensive research interest because of their unique mixed ion-electron transport characteristics and interesting structure-functional characteristics caused by the difference in oxygen ion content. Although the change of oxygen ion content brings rich redox properties, it also causes serious crystal transformation and abnormal electrical transport properties. In order to obtain stable structure and excellent electrical transport properties, the directional regulation of the oxygen ion content has been realized through introducing Al₂O₃ and high temperature aging. After 600 h of aging at 1073 K, the prepared composite ceramics not only obtain a stable structure without crystal transformation, but also show good negative temperature coefficient (NTC) thermistor characteristics in the temperature range of 473 K–1273 K, in which the linear fitting maximum Pearson's r of the relationship between lnρ and 1000/T can reach 99.97%. The proposed method provides a new thought for the design and application of high-temperature electronic ceramics.     

Zirconium-diboride silicon-carbide composites: A review

Zirconium diboride (ZrB₂) and silicon carbide (SiC) composites have long been of interest since it was observed that ZrB₂ improved the thermal shock resistance of SiC. However, processing of these materials can be difficult due to high and different sintering temperatures and differences in the thermodynamic stability of each material. ZrB₂–SiC composites have been processed in a variety of ways including hot-pressing, spark-plasma sintering, reactive melt infiltration, pack cementation, chemical vapor deposition, chemical vapor infiltration, stereolithography, direct ink writing, selective laser sintering, electron beam melting, and binder jet additive manufacturing. Each manufacturing method has its own pros and cons. This review serves to summarize more than 60 years of research and provide a coherent resource for the variety of methods and advancements in development of ZrB₂–SiC composites.     

Influence of substrate temperature on the microstructure of YSZ films and their application as the insulating layer of thin film sensors for harsh temperature environments

Thin film sensors are employed to monitor the health of hot-section components of aeroengine intelligence (for instance, blades), and electrical insulating layers are needed between the metal components and thin film sensors. For this purpose, the electrical insulation characteristics of an yttria-stabilized zirconia (YSZ)/Al₂O₃ multilayer insulating structure were investigated. First, YSZ thin films were deposited by DC reactive sputtering at various substrate temperatures, and the microstructural features were investigated by scanning electron microscopy and X-ray diffraction. The results indicate that the micromorphology of the YSZ thin film gradually became denser with increasing substrate temperature, and no new phases appeared. The compact and uniform topography of the YSZ thin film improved the insulation properties of the multilayer insulating structure and enhanced the adhesion of the thin film sensors. In addition, the electrical insulation properties of the YSZ/Al₂O₃ multilayer insulating structure were evaluated via insulation resistance tests from 25 to 800 °C, in which the YSZ thin film was deposited at 550 °C. The results show that the insulation resistance of the multilayer structure increased by an order of magnitude compared with that of the conventional Al₂O₃ insulating layer, reaching 135 kΩ (5.1 × 10^?6 S/m) at 800 °C. Notably, the insulation resistance was still greater than 75 kΩ after annealing at 800 °C for 5 h. Finally, the shunt effect of the YSZ/Al₂O₃ multilayer insulating structure was estimated using a PdCr thin film strain gauge. The relative resistance error was 0.24%, which demonstrates that the YSZ/Al₂O₃ multilayer insulating structure is suitable for thin film sensors.     

Influence of the SiC matrix introduction time on the microstructure and mechanical properties of Cf/Hf0.5Zr0.5C-SiC ultra-high temperature composites

C_f/Hf_0.5Zr_0.5C-SiC composites were prepared by introducing Hf_0.5Zr_0.5C matrix (11 cycles) and SiC matrix (9 cycles) into the carbon cloth preform through precursor impregnation and pyrolysis (PIP) process. The influence of the introduction time of SiC matrix on the microstructure and mechanical properties of C_f/Hf_0.5Zr_0.5C-SiC composites was studied, and the results show that with the increase of the PIP cycles of the SiC matrix introduced before Hf_0.5Zr_0.5C matrix, the composite open porosity decreased, and the flexural strength and modulus presented an obvious upward trend. CS45 sample, which has 4 cycles of PIP SiC introduced in advance, has the highest flexural strength, flexural modulus and interfacial shear strength of 402.73 ± 35.73 MPa, 56.92 ± 3.97 GPa and 100.88 ± 7.79 MPa, respectively. Hf_0.5Zr_0.5C matrix has a loose and porous structure, so when more SiC matrix was introduced in advance, its covering effect on the surface of fibers led to less intra-bundle pores and thusly denser composite structure, and due to the compactness of SiC matrix, better overall bonding of fiber, interface and matrix was achieved, as well as better load transfer effect, which led to obvious interfacial debonding and cracking based on the in-situ SEM observation during flexural tests. While in the sample without pre-introduced SiC, the cracking occurred mainly between the interface and porous matrix and the overall performance of the material was poor.