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.     

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.     

Progressive failure analysis of notched composite plate by utilizing macro mechanics approach

In this study, gradual and sudden reduction methods were combined to simulate a progressive failure in notched composite plates using a macro mechanics approach. Using the presented method, a progressive failure is simulated based on a linear softening law prior to a catastrophic failure, and thereafter, sudden reduction methods are employed for modeling a progressive failure. This combination method significantly reduces the computational cost and is also capable of simultaneously predicting the first and last ply failures (LPFs) in composite plates. The proposed method is intended to predict the first ply failure (FPF), LPF, and dominant failure modes of carbon/epoxy and glass/epoxy notched composite plates. In addition, the effects of mechanical properties and different stacking sequences on the propagation of damage in notched composite plates were studied. The results of the presented method were compared with experimental data previously reported in the literature. By comparing the numerical and experimental data, it is revealed that the proposed method can accurately simulate the failure propagation in notched composite plates at a low computational cost.     

A strategy for defects healing in 3D printed ceramic compact via cold isostatic pressing: Sintering kinetic window and microstructure evolution

In this study, we developed a unique defect healing method for 3D printed ceramic compact via cold isostatic pressing (CIP) after debinding, and typical features of interlayer interface defects of 3D-printed zirconia compact were characterized and found to be reduced significantly. The characteristic sintering kinetics window and microstructure evolution of the healed sintered bodies were systematically investigated, which was found to be quite different from conventional shaping methods. The three sintering stages are probed by their feature microstructure details such as the mechanically flattening surface at the early sintering stage, the heterogeneous microstructure and high porosity in the interlayer interface region at the middle stage, and the slightly ripple-like structural features combined with the healed interlayer defects at the final stage. The evolution of the pore structure of the healed 3D printed bodies were traced and the mechanical properties such as the Young's modulus, hardness, and fracture toughness were measured to understand the significance of the heal effect.     

Intrinsic Defect Limit to the Growth of Orthorhombic HfO2 and (Hf,Zr)O2 with Strong Ferroelectricity: First-Principles Insights

It is believed that promoting the fraction of ferroelectric orthorhombic phase (o-phase) through O-poor growth conditions can increase the spontaneous polarization of HfO₂ and (Hf,Zr)O₂ thin films. However, the first-principles calculations show that the growth may be limited by the easy formation of point defects in the orthorhombic and tetragonal phases of HfO₂, ZrO₂, and (Hf,Zr)O₂. Their dominant defects, O interstitial (O_i) under O-rich conditions and O vacancy (V_O) under O-poor condition, have low formation energies and quite high density (10¹⁶–10¹⁹ cm⁻³ for 800–1400 K growth temperature). Especially, O_i has negative formation energy in tetragonal HfO₂ under O-rich condition, causing non-stoichiometry and limiting the crystalline-seed formation during o-phase growth. High-density defects can cause disordering of dipole moments and increase leakage current, both diminishing the polarization. These results explain the experimental puzzle that the measured polarization is much lower than the ideal value even in O-poor thin films and highlight that controlling defects is as important as promoting the o-phase fraction for enhancing ferroelectricity. The O-intermediate condition (average of O-rich and O-poor conditions) and low growth temperature are proposed for fabricating HfO₂ and (Hf,Zr)O₂ with fewer defects, lower leakage current, and stronger ferroelectricity, which challenges the belief that O-poor condition is optimal.     

Anisotropic effects of oxygen vacancy defects on the electrical properties of highly oriented bismuth titanate ferroelectric ceramics

Bismuth titanate (Bi₄Ti₃O₁₂, BIT) exhibits a high Curie temperature and anisotropic electrical performance owing to its layered perovskite structure, and hence, it is an important ferroelectric material for high-temperature piezoelectric applications. It is crucial to understand the effects of the anisotropy in BIT-based ferroelectrics for developing novel high-temperature piezoelectric materials. In this study, a highly textured BIT ceramic was fabricated using the tape-casting technique from highly grain-oriented BIT platelets prepared by the molten salt method. The textured BIT ceramic showed a dense microstructure and high grain orientation along the (00l) plane with a texturing degree F_00l = 0.86. It exhibited significant anisotropy in the electrical properties along the directions parallel and perpendicular to the axis of the tape-casting plane. Double ferroelectric hysteresis P–E loops and normal ferroelectric P–E loops were observed in the parallel and perpendicular samples, respectively. In addition to the layered crystal structure and domains, the anisotropy in the arrangement of the oxygen vacancy defects and their transport in the structure led to a significant anisotropy in the ferroelectric properties of the textured BIT ceramics. This work demonstrates the anisotropic arrangement of the oxygen vacancy defects and its effect on the electrical properties of high-temperature bismuth layer-structured ferroelectrics.     

A Smart Deep Convolutional Neural Network for Real-Time Surface Inspection

A proper detection and classification of defects in steel sheets in real time have become a requirement for manufacturing these products, largely used in many industrial sectors. However, computers used in the production line of small to medium size companies, in general, lack performance to attend real-time inspection with high processing demands. In this paper, a smart deep convolutional neural network for using in real-time surface inspection of steel rolling sheets is proposed. The architecture is based on the state-of-the-art SqueezeNet approach, which was originally developed for usage with autonomous vehicles. The main features of the proposed model are: small size and low computational burden. The model is 10 to 20 times smaller when compared to other networks designed for the same task, and more than 700 times smaller than general networks. Also, the number of floating-point operations for a prediction is about 50 times lower than the ones used for similar tasks. Despite its small size, the proposed model achieved near-perfect accuracy on a public dataset of 1800 images of six types of steel rolling defects.     

Enhancement of the radiation resistance of cerium-containing fluorophosphate glasses through codoping with Sb2O3 and Bi2O3

The growing demand for radiation-resistant optical glasses for space and nuclear radiation applications has attracted significant research interest. However, radiation-resistant fluorophosphate glasses have been poorly studied. In this work, we report on the tailoring and performance of radiation-resistant fluorophosphate glasses that contained cerium through codoping with Sb₂O₃ and Bi₂O₃. The physical properties, optical properties, microstructure, and defects of fluorophosphate glasses were investigated using transmittance measurements, absorption measurements, as well as Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and electron paramagnetic resonance (EPR) spectroscopy. The results showed that the radiation resistance of all codoped fluorophosphate glasses was better than the undoped cerium-containing fluorophosphate glasses after 10–250 krad(Si) irradiation. Especially in glasses doped with Bi₂O₃, the optical density increment at 385 nm was only 0.1482 after 250 krad(Si) irradiation. The CeO₂ prevented the development of phosphate-related oxygen hole center (POHC) defects, whereas further codoping with Bi₂O₃ suppressed the formation of oxygen hole center (OHC) and POEC defects, reducing the breaking of phosphate chains caused by CeO₂. Bi³⁺ is more likely than Sb³⁺ to change the valence, affecting the transition equilibrium of intrinsic defects and reducing the concentration of defects produced by irradiation. When codoping with Sb₂O₃ and Bi₂O₃, Bi₂O₃ does not enhance radiation resistance owing to the scission effect of Sb₂O₃ on the phosphate chain, which is not conducive to the radiation resistance of glasses. This indicates that the cerium-containing fluorophosphate glasses doped with Bi₂O₃ can effectively suppress the defects caused by irradiation and improve the radiation resistance of the glasses.     

Experimental and macro finite element modeling studies on conformability behavior of woven nylon 66 composite reinforcement

Abstract

In this study, 3D hemispherical forming experiments are conducted to analyze the conformability behavior of nylon 66 plain woven reinforcements with different weft densities. To make insight into the forming process, a macro finite element model is also proposed for 3D forming of a specific woven reinforcement by using the defined ‘Fabric’ material. The results show that the proposed FEM modelling is highly correlated with experimental findings in terms of forming energy values with small and insignificant errors values, which confirm well model validity. It shows that the nylon 66 composite woven reinforcement with a lower weft density exhibits a lower forming energy (toughness) and hence a higher conformability over a hemispherical surface. On the other hand, modeling outputs clearly indicate that more wrinkling intensity appear for woven reinforcement with a higher weft density.     

微覆盖解决高低层混合居民楼深度覆盖的应用

城区高低层混合居民楼区域作为无线网络覆盖难点,传统宏站无法进行有效的覆盖。本文通过采用“微覆盖、微对打”的建设方式有效解决“高低层混合居民楼”无线网络信号的深度覆盖问题。