Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion

Point defect engineering endows catalysts with novel physical and chemical properties,elevating their electrocatalytic efficiency.The introduction of defects emerges as a promising strategy,effectively modifying the electronic structure of active sites.This optimization influences the adsorption energy of intermediates,thereby mitigating reaction energy barriers,altering paths,enhancing selectivity,and ultimately improving the catalytic efficiency of electrocatalysts.To elucidate the impact of defects on the electrocatalytic process,we comprehensively outline the roles of various point defects,their synthetic methodologies,and characterization techniques.Importantly,we consolidate insights into the relationship between point defects and catalytic activity for hydrogen/oxygen evolution and CO_(2)/O_(2)/N_(2) reduction reactions by integrating mechanisms from diverse reactions.This underscores the pivotal role of point defects in enhancing catalytic performance.At last,the principal challenges and prospects associated with point defects in current electrocatalysts are proposed,emphasizing their role in advancing the efficiency of electrochemical energy storage and conversion materials.

Defect Engineering with Rational Dopants Modulation for High‑Temperature Energy Harvesting in Lead‑Free Piezoceramics

High temperature piezoelectric energy harvester(HTPEH)is an important solution to replace chemical battery to achieve independent power supply of HT wireless sensors.However,simultaneously excellent performances,including high figure of merit(FOM),insulation resistivity(ρ)and depolarization temperature(Td)are indispensable but hard to achieve in lead-free piezoceramics,especially operating at 250°C has not been reported before.Herein,well-balanced performances are achieved in BiFeO3–BaTiO3 ceramics via innovative defect engineering with respect to delicate manganese doping.Due to the synergistic effect of enhancing electrostrictive coefficient by polarization configuration optimization,regulating iron ion oxidation state by high valence manganese ion and stabilizing domain orientation by defect dipole,comprehensive excellent electrical performances(Td=340°C,ρ250°C>10^(7)Ωcm and FOM_(250°C)=4905×10^(–15)m^(2)N^(−1))are realized at the solid solubility limit of manganese ions.The HT-PEHs assembled using the rationally designed piezoceramic can allow for fast charging of commercial electrolytic capacitor at 250°C with high energy conversion efficiency(η=11.43%).These characteristics demonstrate that defect engineering tailored BF-BT can satisfy high-end HT-PEHs requirements,paving a new way in developing selfpowered wireless sensors working in HT environments.

Steel Surface Defect Recognition in Smart Manufacturing Using Deep Ensemble Transfer Learning-Based Techniques

Smart manufacturing and Industry 4.0 are transforming traditional manufacturing processes by utilizing innovative technologies such as the artificial intelligence(AI)and internet of things(IoT)to enhance efficiency,reduce costs,and ensure product quality.In light of the recent advancement of Industry 4.0,identifying defects has become important for ensuring the quality of products during the manufacturing process.In this research,we present an ensemble methodology for accurately classifying hot rolled steel surface defects by combining the strengths of four pre-trained convolutional neural network(CNN)architectures:VGG16,VGG19,Xception,and Mobile-Net V2,compensating for their individual weaknesses.We evaluated our methodology on the Xsteel surface defect dataset(XSDD),which comprises seven different classes.The ensemble methodology integrated the predictions of individual models through two methods:model averaging and weighted averaging.Our evaluation showed that the model averaging ensemble achieved an accuracy of 98.89%,a recall of 98.92%,a precision of 99.05%,and an F1-score of 98.97%,while the weighted averaging ensemble reached an accuracy of 99.72%,a recall of 99.74%,a precision of 99.67%,and an F1-score of 99.70%.The proposed weighted averaging ensemble model outperformed the model averaging method and the individual models in detecting defects in terms of accuracy,recall,precision,and F1-score.Comparative analysis with recent studies also showed the superior performance of our methodology.

Defect Engineering:Can it Mitigate Strong Coulomb Effect of Mg^(2+)in Cathode Materials for Rechargeable Magnesium Batteries?

Rechargeable magnesium batteries(RMBs)have been considered a promising“post lithium-ion battery”system to meet the rapidly increasing demand of the emerging electric vehicle and grid energy storage market.However,the sluggish diffusion kinetics of bivalent Mg^(2+)in the host material,related to the strong Coulomb effect between Mg^(2+)and host anion lattices,hinders their further development toward practical applications.Defect engineering,regarded as an effective strategy to break through the slow migration puzzle,has been validated in various cathode materials for RMBs.In this review,we first thoroughly understand the intrinsic mechanism of Mg^(2+)diffusion in cathode materials,from which the key factors affecting ion diffusion are further presented.Then,the positive effects of purposely introduced defects,including vacancy and doping,and the corresponding strategies for introducing various defects are discussed.The applications of defect engineering in cathode materials for RMBs with advanced electrochemical properties are also summarized.Finally,the existing challenges and future perspectives of defect engineering in cathode materials for the overall high-performance RMBs are described.

Masquelet technique using an allogeneic cortical bone graft for a large bone defect:A case report

BACKGROUND The induced-membrane technique was initially described by Masquelet as an effective treatment for large bone defects,especially those caused by infection.Here,we report a case of chronic osteomyelitis of the radius associated with a 9 cm bone defect,which was filled with a large allogeneic cortical bone graft from a bone bank.Complete bony union was achieved after 14 months of follow-up.Previous studies have used autogenous bone as the primary bone source for the Masquelet technique;in our case,the exclusive use of allografts is as successful as the use of autologous bone grafts.With the advent of bone banks,it is possible to obtain an unlimited amount of allograft,and the Masquelet technique may be further improved based on this new way of bone grafting.CASE SUMMARY In this study,we reported a case of repair of a long bone defect in a 40-year-old male patient,which was characterized by the utilization of allograft cortical bone combined with the Masquelet technique for the treatment of the patient's long bone defect in the forearm.The patient's results of functional recovery of the forearm were surprising,which further deepens the scope of application of Masquelet technique and helps to strengthen the efficacy of Masquelet technique in the treatment of long bones indeed.CONCLUSION Allograft cortical bone combined with the Masquelet technique provides a new method of treatment to large bone defect.

Biomechanical Study of Different Scaffold Designs for Reconstructing a Traumatic Distal Femur Defect Using Patient-Specific Computational Modeling

Reconstruction of a traumatic distal femur defect remains a therapeutic challenge.Bone defect implants have been proposed to substitute the bone defect,and their biomechanical performances can be analyzed via a numerical approach.However,the material assumptions for past computational human femur simulations were mainly homogeneous.Thus,this study aimed to design and analyze scaffolds for reconstructing the distal femur defect using a patient-specific finite element modeling technique.A three-dimensional finite element model of the human femur with accurate geometry and material distribution was developed using the finite element method and material mapping technique.An intact femur and a distal femur defect model treated with nine microstructure scaffolds and two solid scaffolds were investigated and compared under a single-leg stance loading.The results showed that the metal solid scaffold design could provide the most stable fixation for reconstructing the distal femur defect.However,the fixation stability was affected by various microstructure designs and pillar diameters.A microstructure scaffold can be designed to satisfy all the biomechanical indexes,opening up future possibilities for more stable reconstructions.A three-dimensional finite element model of the femur with real bone geometry and bone material distribution can be developed,and this patient-specific femur model can be used for studying other femoral fractures or injuries,paving the way for more comprehensive research in the field.Besides,this patient-specific finite element modeling technique can also be applied to developing other human or animal bone models,expanding the scope of biomechanical research.

Decade Milestone Advancement of Defect-Engineered g-C_(3)N_(4) for Solar Catalytic Applications

Over the past decade, graphitic carbon nitride(g-C_(3)N_(4)) has emerged as a universal photocatalyst toward various sustainable carbo-neutral technologies. Despite solar applications discrepancy, g-C_(3)N_(4) is still confronted with a general fatal issue of insufficient supply of thermodynamically active photocarriers due to its inferior solar harvesting ability and sluggish charge transfer dynamics. Fortunately, this could be significantly alleviated by the “all-in-one” defect engineering strategy, which enables a simultaneous amelioration of both textural uniqueness and intrinsic electronic band structures. To this end, we have summarized an unprecedently comprehensive discussion on defect controls including the vacancy/non-metallic dopant creation with optimized electronic band structure and electronic density, metallic doping with ultraactive coordinated environment(M–N_(x), M–C_(2)N_(2), M–O bonding), functional group grafting with optimized band structure, and promoted crystallinity with extended conjugation π system with weakened interlayered van der Waals interaction. Among them, the defect states induced by various defect types such as N vacancy, P/S/halogen dopants, and cyano group in boosting solar harvesting and accelerating photocarrier transfer have also been emphasized. More importantly, the shallow defect traps identified by femtosecond transient absorption spectra(fs-TAS) have also been highlighted. It is believed that this review would pave the way for future readers with a unique insight into a more precise defective g-C_(3)N_(4) “customization”, motivating more profound thinking and flourishing research outputs on g-C_(3)N_(4)-based photocatalysis.

Impact Analysis of Microscopic Defect Types on the Macroscopic Crack Propagation in Sintered Silver Nanoparticles

Sintered silver nanoparticles(AgNPs)arewidely used in high-power electronics due to their exceptional properties.However,the material reliability is significantly affected by various microscopic defects.In this work,the three primary micro-defect types at potential stress concentrations in sintered AgNPs are identified,categorized,and quantified.Molecular dynamics(MD)simulations are employed to observe the failure evolution of different microscopic defects.The dominant mechanisms responsible for this evolution are dislocation nucleation and dislocation motion.At the same time,this paper clarifies the quantitative relationship between the tensile strain amount and the failure mechanism transitions of the three defect types by defining key strain points.The impact of defect types on the failure process is also discussed.Furthermore,traction-separation curves extracted from microscopic defect evolutions serve as a bridge to connect the macro-scale model.The validity of the crack propagation model is confirmed through tensile tests.Finally,we thoroughly analyze how micro-defect types influence macro-crack propagation and attempt to find supporting evidence from the MD model.Our findings provide a multi-perspective reference for the reliability analysis of sintered AgNPs.

Impact of Atrial Septal Defect Closure on Mortality in Older Patients

Background:Atrial septal defect(ASD)is a common form of adult congenital heart disease that can lead to long-term adverse outcomes if left untreated.Early closure of ASD has been associated with excellent outcomes and lower complication rates.However,there is limited evidence regarding the prognosis of ASD closure in older adults.This study aims to evaluate the mortality rates in older ASD patients with and without closure.Methods:A retrospective cohort study was conducted on patients aged 40 years or older with ASD between 2001 and 2017.Patients were followed up to assess all-cause mortality.Univariable and multivariable analyses were performed to identify the predictors of mortality.A p-value of<0.05 was considered statistically significant.Results:The cohort consisted of 450 patients(mean age 56.6±10.4 years,77.3%female),with 66%aged between 40 and 60 years,and 34%over 60 years.Within the cohort,299 underwent ASD closure(201 with transcatheter and 98 with surgical closure).During the median follow-up duration of 7.9 years,51 patients died.The unadjusted cumulative 10-year rate of mortality was 3%in patients with ASD closure,and 28%in patients without ASD closure(log-rank p<0.001).Multivariable analysis revealed that age(hazard ratio[HR]1.04,95%confidence interval[CI]1.006–1.06,p=0.01),NYHA class(HR 2.75,95%CI 1.63–4.62,p<0.001),blood urea nitrogen(BUN)(HR 1.07,95%CI 1.03–1.12,p<0.001),right ventricular systolic pressure(RVSP)(HR 1.07,95%CI 1.003–1.04,p=0.01),and lack of ASD closure(HR 15.12,95%CI 5.63–40.59,p<0.001)were independently associated with mortality.Conclusion:ASD closure demonstrated favorable outcomes in older patients.Age,NYHA class,BUN,RVSP,and lack of ASD closure were identified as independent factors linked to mortality in this population.

Right Axillary Thoracotomy Should Be the Standard of Care for Repair of Non-Complex Congenital Heart Defects in Infants and Children

Minimally invasive approaches for cardiac surgery in children have been lagging in comparison to the adult world.A wide range of the most common congenital heart defects in infants and children can be repaired suc-cessfully through a variety of non-sternotomy incisions.This has been shown to be associated with superior cos-metic results,shorter hospital stays,and rapid return to full activity compared to sternotomy.These approaches have been around for decades,but they have not been widely adopted for a variety of reasons.Right axillary thor-acotomy is one of these approaches that we believe should be the new standard for the repair of a wide variety of heart defects in children and will be the focus of our current review.

Heterointerface Engineering-Induced Oxygen Defects for the Manganese Dissolution Inhibition in Aqueous Zinc Ion Batteries

Manganese-based material is a prospective cathode material for aqueous zinc ion batteries(ZIBs)by virtue of its high theoretical capacity,high operating voltage,and low price.However,the manganese dissolution during the electrochemical reaction causes its electrochemical cycling stability to be undesirable.In this work,heterointerface engineering-induced oxygen defects are introduced into heterostructure MnO_(2)(δa-MnO_(2))by in situ electrochemical activation to inhibit manganese dissolution for aqueous zinc ion batteries.Meanwhile,the heterointerface between the disordered amorphous and the crystalline MnO_(2)ofδa-MnO_(2)is decisive for the formation of oxygen defects.And the experimental results indicate that the manganese dissolution ofδa-MnO_(2)is considerably inhibited during the charge/discharge cycle.Theoretical analysis indicates that the oxygen defect regulates the electronic and band structure and the Mn-O bonding state of the electrode material,thereby promoting electron transport kinetics as well as inhibiting Mn dissolution.Consequently,the capacity ofδa-MnO_(2)does not degrade after 100 cycles at a current density of 0.5 Ag^(-1)and also 91%capacity retention after 500cycles at 1 Ag^(-1).This study provides a promising insight into the development of high-performance manganese-based cathode materials through a facile and low-cost strategy.

Improvement of High-Speed Detection Algorithm for Nonwoven Material Defects Based on Machine Vision

Defect detection is vital in the nonwoven material industry,ensuring surface quality before producing finished products.Recently,deep learning and computer vision advancements have revolutionized defect detection,making it a widely adopted approach in various industrial fields.This paper mainly studied the defect detection method for nonwoven materials based on the improved Nano Det-Plus model.Using the constructed samples of defects in nonwoven materials as the research objects,transfer learning experiments were conducted based on the Nano DetPlus object detection framework.Within this framework,the Backbone,path aggregation feature pyramid network(PAFPN)and Head network models were compared and trained through a process of freezing,with the ultimate aim of bolstering the model's feature extraction abilities and elevating detection accuracy.The half-precision quantization method was used to optimize the model after transfer learning experiments,reducing model weights and computational complexity to improve the detection speed.Performance comparisons were conducted between the improved model and the original Nano Det-Plus model,YOLO,SSD and other common industrial defect detection algorithms,validating that the improved methods based on transfer learning and semi-precision quantization enabled the model to meet the practical requirements of industrial production.

Strip steel surface defect detection algorithm based on improved Faster R-CNN

To solve the problems of the low accuracy and poor real-time performance of traditional strip steel surface defect detection meth-ods,which are caused by the characteristics of many kinds,complex shapes,and different scales of strip surface defects,a strip steel surface defect detection algorithm based on improved Faster R-CNN is proposed.Firstly,the residual convolution module is inserted into the Swin Transformer network module to form the RC-Swin Transformer network module,and the RC-Swin Transformer module is introduced into the backbone network of the traditional Faster R-CNN to enhance the ability of the network to extract the global feature information of the image and adapt to the complex shape of the strip steel surface defect.To improve the attention of the network to defects in the image,a CBAM-BiFPN network module is designed,and then the backbone network is combined with the CBAM-BiFPN network to realize the de-tection and fusion of multi-scale features.The RoI align layer is used instead of the RoI pooling layer to improve the accuracy of defect loca-tion.Finally,Soft NMS is used to achieve non-maximum suppression and remove redundant boxes.In the comparative experiment on the NEU-DET dataset,the improved algorithm improves the mean average precision by 4.2%compared with the Faster R-CNN algorithm,and also improves the average precision by 6.1%and 6.7%for crazing defect and rolled-in scale defect,which are difficult to detect with the Faster R-CNN algorithm.The experiments show that the improvements proposed in the paper effectively improve the detection accuracy of the algorithm and have certain practical value.

Defect engineering in transition-metal(Fe,Co,andNi)-based electrocatalysts for water splitting

Electrocatalytic water splitting seems to be an efficient strategy to deal with increasingly serious environmental problems and energy crises but still suffers from the lack of stable and efficient electrocatalysts.Designing practical electrocatalysts by introducing defect engineering,such as hybrid structure,surface vacancies,functional modification,and structural distortions,is proven to be a dependable solution for fabricating electrocatalysts with high catalytic activities,robust stability,and good practicability.This review is an overview of some relevant reports about the effects of defect engineering on the electrocatalytic water splitting performance of electrocatalysts.In detail,the types of defects,the preparation and characterization methods,and catalytic performances of electrocatalysts are presented,emphasizing the effects of the introduced defects on the electronic structures of electrocatalysts and the optimization of the intermediates'adsorption energy throughout the review.Finally,the existing challenges and personal perspectives of possible strategies for enhancing the catalytic performances of electrocatalysts are proposed.An in-depth understanding of the effects of defect engineering on the catalytic performance of electrocatalysts will light the way to design high-efficiency electrocatalysts for water splitting and other possible applications.

Enhancing the Performance of Perovskite Light-Emitting Diodes via Synergistic Effect of Defect Passivation and Dielectric Screening

Metal halide perovskites,particularly the quasi-two-dimensional perovskite subclass,have exhibited considerable potential for next-generation electroluminescent materials for lighting and display.Nevertheless,the presence of defects within these perovskites has a substantial influence on the emission efficiency and durability of the devices.In this study,we revealed a synergistic passivation mechanism on perovskite films by using a dual-functional compound of potassium bromide.The dual functional potassium bromide on the one hand can passivate the defects of halide vacancies with bromine anions and,on the other hand,can screen the charged defects at the grain boundaries with potassium cations.This approach effectively reduces the probability of carriers quenching resulting from charged defects capture and consequently enhances the radiative recombination efficiency of perovskite thin films,leading to a significant enhancement of photoluminescence quantum yield to near-unity values(95%).Meanwhile,the potassium bromide treatment promoted the growth of homogeneous and smooth film,facilitating the charge carrier injection in the devices.Consequently,the perovskite light-emitting diodes based on this strategy achieve a maximum external quantum efficiency of~21%and maximum luminance of~60,000 cd m^(-2).This work provides a deeper insight into the passivation mechanism of ionic compound additives in perovskite with the solution method.

A Hybrid Deep Learning and Machine Learning-Based Approach to Classify Defects in Hot Rolled Steel Strips for Smart Manufacturing

Smart manufacturing is a process that optimizes factory performance and production quality by utilizing various technologies including the Internet of Things(IoT)and artificial intelligence(AI).Quality control is an important part of today’s smart manufacturing process,effectively reducing costs and enhancing operational efficiency.As technology in the industry becomes more advanced,identifying and classifying defects has become an essential element in ensuring the quality of products during the manufacturing process.In this study,we introduce a CNN model for classifying defects on hot-rolled steel strip surfaces using hybrid deep learning techniques,incorporating a global average pooling(GAP)layer and a machine learning-based SVM classifier,with the aim of enhancing accuracy.Initially,features are extracted by the VGG19 convolutional block.Then,after processing through the GAP layer,the extracted features are fed to the SVM classifier for classification.For this purpose,we collected images from publicly available datasets,including the Xsteel surface defect dataset(XSDD)and the NEU surface defect(NEU-CLS)datasets,and we employed offline data augmentation techniques to balance and increase the size of the datasets.The outcome of experiments shows that the proposed methodology achieves the highest metrics score,with 99.79%accuracy,99.80%precision,99.79%recall,and a 99.79%F1-score for the NEU-CLS dataset.Similarly,it achieves 99.64%accuracy,99.65%precision,99.63%recall,and a 99.64%F1-score for the XSDD dataset.A comparison of the proposed methodology to the most recent study showed that it achieved superior results as compared to the other studies.

YOLO-DD:Improved YOLOv5 for Defect Detection

As computer technology continues to advance,factories have increasingly higher demands for detecting defects.However,detecting defects in a plant environment remains a challenging task due to the presence of complex backgrounds and defects of varying shapes and sizes.To address this issue,this paper proposes YOLO-DD,a defect detectionmodel based on YOLOv5 that is effective and robust.To improve the feature extraction process and better capture global information,the vanilla YOLOv5 is augmented with a new module called Relative-Distance-Aware Transformer(RDAT).Additionally,an Information Gap Filling Strategy(IGFS)is proposed to improve the fusion of features at different scales.The classic lightweight attention mechanism Squeeze-and-Excitation(SE)module is also incorporated into the neck section to enhance feature expression and improve the model’s performance.Experimental results on the NEU-DET dataset demonstrate that YOLO-DDachieves competitive results compared to state-of-the-art methods,with a 2.0% increase in accuracy compared to the original YOLOv5,achieving 82.41% accuracy and38.25FPS(framesper second).Themodel is also testedon a self-constructed fabric defect dataset,and the results show that YOLO-DD is more stable and has higher accuracy than the original YOLOv5,demonstrating its stability and generalization ability.The high efficiency of YOLO-DD enables it to meet the requirements of industrial high accuracy and real-time detection.

Defect Detection Model Using Time Series Data Augmentation and Transformation

Time-series data provide important information in many fields,and their processing and analysis have been the focus of much research.However,detecting anomalies is very difficult due to data imbalance,temporal dependence,and noise.Therefore,methodologies for data augmentation and conversion of time series data into images for analysis have been studied.This paper proposes a fault detection model that uses time series data augmentation and transformation to address the problems of data imbalance,temporal dependence,and robustness to noise.The method of data augmentation is set as the addition of noise.It involves adding Gaussian noise,with the noise level set to 0.002,to maximize the generalization performance of the model.In addition,we use the Markov Transition Field(MTF)method to effectively visualize the dynamic transitions of the data while converting the time series data into images.It enables the identification of patterns in time series data and assists in capturing the sequential dependencies of the data.For anomaly detection,the PatchCore model is applied to show excellent performance,and the detected anomaly areas are represented as heat maps.It allows for the detection of anomalies,and by applying an anomaly map to the original image,it is possible to capture the areas where anomalies occur.The performance evaluation shows that both F1-score and Accuracy are high when time series data is converted to images.Additionally,when processed as images rather than as time series data,there was a significant reduction in both the size of the data and the training time.The proposed method can provide an important springboard for research in the field of anomaly detection using time series data.Besides,it helps solve problems such as analyzing complex patterns in data lightweight.

SAM Era:Can It Segment Any Industrial Surface Defects?

Segment Anything Model(SAM)is a cutting-edge model that has shown impressive performance in general object segmentation.The birth of the segment anything is a groundbreaking step towards creating a universal intelligent model.Due to its superior performance in general object segmentation,it quickly gained attention and interest.This makes SAM particularly attractive in industrial surface defect segmentation,especially for complex industrial scenes with limited training data.However,its segmentation ability for specific industrial scenes remains unknown.Therefore,in this work,we select three representative and complex industrial surface defect detection scenarios,namely strip steel surface defects,tile surface defects,and rail surface defects,to evaluate the segmentation performance of SAM.Our results show that although SAM has great potential in general object segmentation,it cannot achieve satisfactory performance in complex industrial scenes.Our test results are available at:https://github.com/VDT-2048/SAM-IS.

Attention-relation network for mobile phone screen defect classification via a few samples

How to use a few defect samples to complete the defect classification is a key challenge in the production of mobile phone screens.An attention-relation network for the mobile phone screen defect classification is proposed in this paper.The architecture of the attention-relation network contains two modules:a feature extract module and a feature metric module.Different from other few-shot models,an attention mechanism is applied to metric learning in our model to measure the distance between features,so as to pay attention to the correlation between features and suppress unwanted information.Besides,we combine dilated convolution and skip connection to extract more feature information for follow-up processing.We validate attention-relation network on the mobile phone screen defect dataset.The experimental results show that the classification accuracy of the attentionrelation network is 0.9486 under the 5-way 1-shot training strategy and 0.9039 under the 5-way 5-shot setting.It achieves the excellent effect of classification for mobile phone screen defects and outperforms with dominant advantages.