Theoretical investigation of intrinsic point defects and the oxygen migration behavior in rare earth hafnates

In this work, the composition-dependent point defect types and formation energies of RE₂Hf₂O₇ (RE = La, Ce, Pr, Nd, Pm, Sm, Eu and Gd) as well as the oxygen diffusion behavior are systematically investigated by first-principles calculations. The possible defect reactions and dominant defect complexes under stoichiometric and non-stoichiometric conditions are revealed. It is found that O Frenkel pairs are the predominant defect in stoichiometric pyrochlore hafnates. Hf-RE cation anti-site defects, accompanied by RE vacancies and/or oxygen interstitials, are stable in the non-stoichiometric case of HfO₂ excess. On the other hand, RE-Hf anti-site defects together with oxygen vacancies and/or RE interstitials are preferable in the case of RE₂O₃ excess. The energy barriers for the migration along the V_O48f - V_O48f pathway of pyrochlore hafnates were calculated to be between 0.81 eV and 0.89 eV. Based on these results, a defect engineering strategy is proposed and the pyrochlore hafnates investigated here are predicted to exhibit potential oxygen ionic conductivity.     

Eco-friendly tape casting of borosilicate glass/Al2O3 sheets for LTCC applications

This work reports the innovative development of a borosilicate glass/Al₂O₃ tape for LTCC applications using an eco-friendly aqueous tape casting slurry. Polyvinylpyrrolidone (PVP) and polyacrylic acid (PAA) were the respective dispersants, while carboxymethyl cellulose (CMC) and styrene acrylic emulsion (SA) were the respective binders. The results showed that PVP was more suitable than PAA as the dispersant for the aqueous casting slurry, and that 1.5 wt% PVP would achieve well dispersion of CABS glass/Al₂O₃ powder in the aqueous slurry. Moreover, a small amount of 2.0 wt% CMC binder could yield smooth CABS glass/Al₂O₃ tapes crack free. A high-quality CABS glass/Al₂O₃ tape with a smooth surface was made from an aqueous slurry containing 1.5 wt% PVP dispersant, 2.0 wt% CMC binder, and 2.0 wt% PEG-400 plasticizer. The density, tensile strength, and surface roughness of the green tape were 2.05 g/cm³, 0.87 MPa, and 148 nm, respectively. The resulting CABS glass/Al₂O₃ composites sintered at 875 °C exhibited a bulk density of 3.14 g/cm³, a dielectric constant of 8.09, a dielectric loss of 1.0 × 10^?3, a flexural strength of 213 MPa, a thermal expansion coefficient of 5.30 ppm/^°C, and a thermal conductivity of 3.2 W m^?1 K^?1, thus demonstrating its broad prospects in LTCC applications.     

Photophysical investigation of the formation of defect levels in P doped ZnO thin films

Zinc oxide (ZnO) offers a major disadvantage of asymmetry doping in terms of reliability, stability, and reproducibility of p-type doping, which is the main hindrance in realization of optoelectronic devices. The problem is even more complicated due to formation of various native defects in unintentionally doped n-type ZnO. The realization of p-type conductivity in doped ZnO requires an in-depth understanding of the formation of an effective shallow acceptor, as well as donor-acceptor compensation. Photophysical properties such as photoconductivity along with photoluminescence (PL) studies have unprecedentedly and effectively been utilized in this work to monitor the evolution of various in-gap defects. Phosphorus (P) doped ZnO thin films have been grown by RF magnetron sputtering under various Ar to O₂ gas ratios to investigate the effect of O₂ on the donor-acceptor compensation by comprehensive photoconductivity measurements supported by the PL studies. Initial elemental analyses indicate presence of abundant zinc vacancies (V_Zn) in O-rich ambience. The results predict that P sits in the zinc (Zn) site rather than the oxygen (O) site causing the formation of P_Zn–2V_Zn acceptor-like defects, which compensates the donor defects in P doped ZnO films. Photocurrent spectra uniquely reveal presence of more oxygen vacancies (V_O) defects states in lower O₂ flow, which gets compensated with an increase in the O₂ flow. Successive photocurrent transients indicate probable presence of more V_O in the films grown with lower O₂ flow and more V_Zn in higher O₂ flow. Overall the photosensitivity measurements clearly present that O-rich ambience expedites the formation of acceptor defects which are compensated, thereby lowering the dark current and enhancing the ultraviolet photosensitivity.     

浅谈压力铸造的全自动化生产

近年来,国家对制造业的数字化、网络化、智能化越来越重视,特别是《中国制造2025》的发布,更是促进整个制造业向智能制造迈进,铸造行业也应该紧跟步伐。在传统压力铸造行业中压铸机的加料、取件,切边机的上件、下件,加工机床的上件、下件,都是依靠人来完成,大大制约了行业的发展。本文阐述了压力铸造的全自动化生产,为压力铸造行业的转型升级提供借鉴。     

Anisotropic thermal expansion and ionic conductivity of a crystal-oriented,Mg2+-conducting NASICON-type solid electrolyte

Multivalent ion-conducting ceramics are required for the manufacture of high-safety, high-capacity rechargeable batteries. However, the low ionic conductivity of solid electrolytes and discrepancies in the thermal expansion between the battery components limit their widespread application. Furthermore, anisotropic thermal expansion in crystals during battery manufacturing and the charge-discharge cycles causes the formation of microcracks, which degrade the battery performance. The physical properties of ceramic materials with anisotropic crystal structures can be modified by varying the crystallographic orientation of their grains. In this study, a co-precipitation approach was used to synthesize an Mg²⁺-conducting (Mg_0.1Hf_0.9)_4/3.8Nb(PO₄)₃ solid electrolyte, and the grain orientation in the bulk sample was controlled using strong magnetic fields during the slip casting process. The results showed that inducing an orientation along the c-axis enhanced the apparent ionic conductivity of the bulk sample. It was also observed that (Mg_0.1Hf_0.9)_4/3.8Nb(PO₄)₃ crystal has a negative volumetric thermal expansion despite a positive linear thermal expansion along its c-axis. By adjusting the c-axis orientation of the grains, (Mg_0.1Hf_0.9)_4/3.8Nb(PO₄)₃ electrolytes with negative or positive linear thermal expansion coefficient have been produced. The findings of this study suggest that solid-electrolytes with negative, positive, or zero linear thermal expansion can be produced to create more compatible and higher-performance solid-state devices.     

Understanding grain refining and anti Si-poisoning effect in Al-10Si/Al-5Nb-B system

Grain refinement is critical for fabricating high-quality Al-Si casting components in the application of automobile and aerospace industries,while the well-known Si-poisoning effect makes it difficult.Nbbased refiners offer an effective method to refine Al-Si casting alloys,but their anti Si-poisoning capability is far from being understood.In this work,the grain refining mechanism and the anti Si-poisoning effect in the Al-10 Si/Al-5 Nb-B system were systematically investigated by combining transmission electron microscope,first-principles calculations,and thermodynamic calculations.It is revealed that NbB₂provides the main nucleation site in the Al-10 Si ingot inoculated by 0.1 wt.%Nb Al-5 Nb-B refiner.The exposed Nb atoms on the(0001)NbB₂and(1-100)NbB₂surface can be substituted by Al to form(Al,Nb)B₂intermedia layers.In addition,a layer of NbAl₃-like compound(NbAl₃')can cover the surface of NbB₂with the orientation relation of(1-100)[11-20]NbB_2//(110)[110]NbAl₃'.Both of the(Al,Nb)B₂and NbAl₃'intermedia layers contribute to enhancing the nucleation potency of NbB₂particles.These discoveries provide fundamental insight to the grain refining mechanism of the Nb-B based refiners for Al-Si casting alloys and are expected to guide the future development of stronger refiners for Al-Si casting alloys.     

Warm-white light performance of Dy3+, Eu3+: NaLa(WO4)2 phosphors excited with a 450-nm LED

Dy³⁺, Eu³⁺: NaLa(WO₄)₂ phosphors are successfully synthesized through the solid-state reaction technique. The phase-structure and morphology are measured via X-ray diffraction and energy dispersive spectrometry. The concentrations of Dy³⁺, Eu³⁺, La³⁺, and W⁶⁺ are measured via ICP. The absorption and excited spectra are presented, which indicate that a blue band ranging from 430 to 480 nm is suitable for excitation. Using a commercial blue LED with a wavelength of 450 nm as the excitation light source, emission spectra for samples with varying dopant concentration ratios of Dy³⁺ to Eu³⁺ are obtained, which show good tunable yellow and red emission. For the purpose of investigating white LED performance, CIE spectra and a white light photo are also presented. The results reveal that varying the dopant concentration ratio of Dy³⁺ to Eu³⁺ plays a key role in the warm-white performance. With increasing concentration of Eu³⁺, the correlated color temperature decreases from 4069 to 3172 K, which indicates good warm-white performance.     

Microstructure and permeability of porous YSZ ceramics fabricated by freeze casting of oil-in-water suspension

Porous yttria-stabilized zirconia (YSZ) ceramics are fabricated through freeze casting of oil-in-water suspension followed by sintering at 1250−1550 °C. The pore structure, compressive strength and permeability of porous YSZ ceramics are tailored via altering the emulsion content and sintering temperature. The samples obtained using higher emulsion content or at lower sintering temperature show larger Darcian and non-Darcian constants due to their higher open porosity and larger pore size. Furthermore, the investigation on individual contributions of viscous and inertial resistances on the total pressure drop during permeation process indicates that the viscous resistance increases but the inertial resistance decreases with increasing the emulsion content or decreasing the sintering temperature for samples. Porous YSZ ceramics obtained in this work with a k₁ range of 3.14 × 10⁻¹³–1.12 × 10⁻¹² m² are appropriate for applications in filters and membrane supports.     

Hierarchical electromagnetic absorption in micro-waveguide stuffed with magnetic media for resin-based composites of graphene nanosheets and manganese oxides

Waveguide configurations of hierarchical system are proposed as new microstructures for composites in absorbing enhancement. Supercritical fluid (SCF) one-pot exfoliation of layered graphite and manganese oxide mixing materials is developed to obtain a hierarchical system, containing graphene nanosheets (GNS) and exfoliated manganese oxides (EMO) in different sizes. Composites with GNS–EMO embedded in epoxy resin matrix are produced for a design of dielectric and magnetic loss integrated absorber. Volume fraction of GNS–EMO in composites is given for an optimal quantity of resin epoxy in fixation and formation. The effect of mixing ratios between electric and magnetic components is provided for the design of dielectric and magnetic loss integrated absorbers. Frequency shifting phenomena are revealed in the component adjusting course. Excluding the offsetting sizes, reflection loss of composites is enhanced as thickness increases. Synergistic effect of electric and magnetic coordinated materials demonstrates the superiority of micro-waveguide structures in GNS–EMO composite absorber.     

Application of higher order spectral features and support vector machines for bearing faults classification

Condition monitoring and fault diagnosis of rolling element bearings timely and accurately are very important to ensure the reliability of rotating machinery. This paper presents a novel pattern classification approach for bearings diagnostics, which combines the higher order spectra analysis features and support vector machine classifier. The use of non-linear features motivated by the higher order spectra has been reported to be a promising approach to analyze the non-linear and non-Gaussian characteristics of the mechanical vibration signals. The vibration bi-spectrum (third order spectrum) patterns are extracted as the feature vectors presenting different bearing faults. The extracted bi-spectrum features are subjected to principal component analysis for dimensionality reduction. These principal components were fed to support vector machine to distinguish four kinds of bearing faults covering different levels of severity for each fault type, which were measured in the experimental test bench running under different working conditions. In order to find the optimal parameters for the multi-class support vector machine model, a grid-search method in combination with 10-fold cross-validation has been used. Based on the correct classification of bearing patterns in the test set, in each fold the performance measures are computed. The average of these performance measures is computed to report the overall performance of the support vector machine classifier. In addition, in fault detection problems, the performance of a detection algorithm usually depends on the trade-off between robustness and sensitivity. The sensitivity and robustness of the proposed method are explored by running a series of experiments. A receiver operating characteristic (ROC) curve made the results more convincing. The results indicated that the proposed method can reliably identify different fault patterns of rolling element bearings based on vibration signals.