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Decade Milestone Advancement of Defect-Engineered g-C_(3)N_(4) for Solar Catalytic Applications
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作者 Shaoqi Hou Xiaochun Gao +8 位作者 Xingyue Lv Yilin Zhao Xitao Yin Ying Liu Juan Fang Xingxing Yu Xiaoguang Ma Tianyi Ma Dawei Su 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第4期153-218,共66页
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 stil... 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. 展开更多
关键词 defect engineering g-C_(3)N_(4) Electronic band structures Photocarrier transfer kinetics defect states
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Impact Analysis of Microscopic Defect Types on the Macroscopic Crack Propagation in Sintered Silver Nanoparticles
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作者 Zhongqing Zhang Bo Wan +4 位作者 Guicui Fu Yutai Su Zhaoxi Wu Xiangfen Wang Xu Long 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第4期441-458,共18页
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,t... 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. 展开更多
关键词 Sintered silver nanoparticles defect types microscopic defect evolution macroscopic crack propagation molecular dynamics simulation cohesive zone model
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Impact of Atrial Septal Defect Closure on Mortality in Older Patients
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作者 Sipawath Khamplod Yodying Kaolawanich +1 位作者 Khemajira Karaketklang Nithima Ratanasit 《Congenital Heart Disease》 SCIE 2024年第1期93-105,共13页
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... 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. 展开更多
关键词 Atrial septal defect congenital heart disease defect closure long-term survival MORTALITY
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Defect mediated losses and degradation of perovskite solar cells:Origin impacts and reliable characterization techniques
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作者 Himangshu Baishy Ramkrishna Das Adhikari +5 位作者 Mayur Jagdishbhai Patel Deepak Yadav Tapashi Sarmah Mizanur Alam Manab Kalita Parameswar Krishnan lyer 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第7期217-253,共37页
The rapid advancement of halide-based hybrid perovskite materials has garnered significant research attention,particularly in the domain of photovoltaic technology.Owing to their exceptional optoelec-tronic properties... The rapid advancement of halide-based hybrid perovskite materials has garnered significant research attention,particularly in the domain of photovoltaic technology.Owing to their exceptional optoelec-tronic properties,they demonstrated power conversion efficiency(PcE)of over 25%in single junction solar cells.Despite the notable progress in PCE over the past decade,the inherent high defect density pre-senting in perovskite materials gives rise to several loss mechanisms and associated ion migration in per-ovskite solar cells(PsCs)during operational conditions.These factors collectively contribute to a significant stability challenge in PsCs,placing their longevity far behind for commercialization.While numerous reports have explored defects,ion migration,and their impacts on device performance,a com-prehensive correlation between the types of defects and the degradation kinetics of perovskite materials and PsCs has been lacking.In this context,this review aims to provide a comprehensive overview of the origins of defects and ion migration,emphasizing their correlation with the degradation kinetics of per-ovskite materials and PsCs,leveraging reliable characterization techniques.Furthermore,these charac-terization techniques are intended to comprehend loss mechanisms by different passivation approaches to enhance the durability and PCE of PSCs. 展开更多
关键词 Perovskite solar cells defects lon migration DEGRADATION Stability
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Built defects of homogeneous junction to enhance the lithium storage capacity of niobium pentoxide materials
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作者 Huibin Ding Yang Luo +5 位作者 Zihan Song Cong Chen Kai Feng Xiaofei Yang Hongzhang Zhang Xianfeng Li 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第5期730-737,共8页
Niobium pentoxide(Nb_(2)O_(5))is deemed one of the promising anode materials for lithium-ion batteries(LIBs)for its outstanding intrinsic fast Li-(de)intercalation kinetics.The specific capacity,however,is still limit... Niobium pentoxide(Nb_(2)O_(5))is deemed one of the promising anode materials for lithium-ion batteries(LIBs)for its outstanding intrinsic fast Li-(de)intercalation kinetics.The specific capacity,however,is still limited,because the(de)intercalation of excessive Li-ions brings the undesired stress to damage Nb_(2)O_(5) crystals.To increase the capacity of Nb_(2)O_(5) and alleviate the lattice distortion caused by stress,numerous homogeneous H-and M-phases junction interfaces were proposed to produce coercive stress within theNb_(2)O_(5)crystals.Such interfaces bring about rich oxygen vacancies with structural shrinkage tendency,which pre-generate coercive stress to resist the expansion stress caused by excessive Li-ions intercalation.Therefore,the synthesized Nb_(2)O_(5) achieves the highest lithium storage capacity of 315 mA h g−1 to date,and exhibits high-rate performance(118 mA h g^(-1) at 20 C)as well as excellent cycling stability(138 mA h g^(-1) at 10 C after 600 cycles). 展开更多
关键词 Niobiumpent oxide Homojunction polycrystalline defectS Oxygen vacancy
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Effect of Vacancy Defects on the Properties of CoS_(2) and FeS_(2)
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作者 冯中营 ZHANG Jianmin +3 位作者 WANG Xiaowei YANG Wenjin JING Yinlan YANG Yan 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第3期627-638,共12页
In order to explore the effect of vacancy defects on the structural,electronic,magnetic and optical properties of CoS_(2) and FeS_(2),first-principles calculation method was used to investigate the alloys.The calculat... In order to explore the effect of vacancy defects on the structural,electronic,magnetic and optical properties of CoS_(2) and FeS_(2),first-principles calculation method was used to investigate the alloys.The calculated results of materials without vacancy are consistent with those reported in the literatures,while the results of materials with vacancy defect were different from those of literatures due to the difference vacancy concentration.The Co vacancy defect hardly changes the half-metallic characteristic of CoS_(2).The Fe vacancy defect changes FeS_(2) from semiconductor to half-metal,and the bottom of the spin-down conduction band changes from the p orbital state of S to the d(t_(2g))orbital state of Fe,while the top of the valence band remains the d orbital d(eg)state of Fe.The half-metallic Co vacancy defects of CoS_(2) and Fe vacancy defects of FeS_(2) are expected to be used in spintronic devices.S vacancy defects make both CoS_(2) and FeS_(2) metallic.Both the Co and S vacancy defects lead to the decrease of the magnetic moment of CoS_(2),while both the Fe and S vacancy defects lead to the obvious magnetic property of FeS_(2).Vacancy defects enhance the absorption coefficient of infrared band and long band of visible light obviously,and produce obvious red shift phenomenon,which is expected to be used in photoelectric devices. 展开更多
关键词 cobalt disulfide iron disulfide vacancy defect fist principles
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Micro defects formation and dynamic response analysis of steel plate of quasi-cracking area subjected to explosive load
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作者 Zheng-qing Zhou Ze-chen Du +5 位作者 Xiao Wang Hui-ling Jiang Qiang Zhou Yu-long Zhang Yu-zhe Liu Pei-ze Zhang 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期580-593,共14页
As the protective component,steel plate had attracted extensive attention because of frequently threats of explosive loads.In this paper,the evolution of microstructure and the mechanism of damage in the quasi-crackin... As the protective component,steel plate had attracted extensive attention because of frequently threats of explosive loads.In this paper,the evolution of microstructure and the mechanism of damage in the quasi-cracking area of steel plate subjected to explosive load were discussed and the relationships between micro defects and dynamic mechanical response were revealed.After the explosion experiment,five observation points were selected equidistant from the quasi-cracking area of the section of the steel plate along the thickness direction,and the characteristics of micro defects at the observation points were analyzed by optical microscope(OM),scanning electron microscope(SEM) and electron backscattered diffraction(EBSD).The observation result shows that many slip bands(SBs) appeared,and the grain orientation changed obviously in the steel plate,the two were the main damage types of micro defects.In addition,cracks,peeling pits,grooves and other lager micro defects were appeared in the lower area of the plate.The stress parameters of the observation points were obtained through an effective numerical model.The mechanism of damage generation and crack propagation in the quasicracking area were clarified by comparing the specific impulse of each observation point with the corresponding micro defects.The result shows that the generation and expansion of micro defects are related to the stress area(i.e.the upper compression area,the neutral plane area,and the lower tension area).The micro defects gather and expand at the grain boundary,and will become macroscopic damage under the continuous action of tensile stress.Besides,the micro defects at the midpoint of the section of the steel plate in the direction away from the explosion center(i.e.the horizontal direction) were also studied.It was found that the specific impulse at these positions were much smaller than that in the thickness direction,the micro defects were only SBs and a few micro cracks,and the those decreased with the increase of the distance from the explosion center. 展开更多
关键词 Explosive load Quasi-cracking area Micro defects Steel plate Dynamic response Numerical simulation
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Intrinsic pentagon defect engineering in multiple spatial-scale carbon frameworks for efficient triiodide reduction
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作者 Siyi Hou Xuedan Song +6 位作者 Chang Yu Jiangwei Chang Yiwang Ding Yingbin Liu Xiubo Zhang Weizhe Liu Jieshan Qiu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第8期20-28,I0002,共10页
Intrinsic topological defect engineering has been proven as a promising strategy to elevate the electrocatalytic activity of carbon materials.However,the controllable construction of high-density and specific topologi... Intrinsic topological defect engineering has been proven as a promising strategy to elevate the electrocatalytic activity of carbon materials.However,the controllable construction of high-density and specific topological defects in carbon frameworks to reveal the relationship between reactivity and defect structure remains a challenging task.Herein,the intrinsic pentagon carbon sites that can favor electron overflow and enhance their binding affinity towards the intermediates of catalytic reaction are firstly presented by the work function and the p-band center calculations.To experimentally verify this,the cage-opening reaction of fullerene is proposed and utilized for synthesizing carbon quantum dots with specific pentagon configuration(CQDs-P),subsequently utilizing CQDs-P to modulate the micro-scale defect density of three-dimensional reduced graphene oxide(rGO)viaπ-πinteractions.The multiple spatial-scale rGO-conjugated CQDs-P structure simultaneously possesses abundant pentagon and edge defects as catalytic active sites and long-range-orderedπelectron delocalization system as conductive network.The defects-rich CQDs-P/rGO-4 all-carbon-based catalyst exhibits superb catalytic activity for triiodide reduction reaction with a high photoelectric conversion efficiency of 8.40%,superior to the Pt reference(7.97%).Theoretical calculations suggest that pentagon defects in the carbon frameworks can promote charge transfer and modulate the adsorption/dissociation behavior of the reaction intermediates,thus enhancing the electrocatalytic activity of the catalyst.This work confirms the role of intrinsic pentagon defects in catalytic reactions and provides a new insight into the synthesis of defects-rich carbon catalysts. 展开更多
关键词 defect engineering Pentagon carbon Carbon quantum dots Electrocatalytic activity Triiodide reduction
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Crystallinity-defect matching relationship of g-C_(3)N_(4): Experimental and theoretical perspectives
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作者 Yuhan Li Ziteng Ren +5 位作者 Zhengjiang He Ping Ouyang Youyu Duan Wendong Zhang Kangle Lv Fan Dong 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第4期623-658,共36页
Good crystallinity can reduce the charge recombination centers caused by defects,whilst structures with strong polycondensation have high charge mobility,leading to more charge transfer to the material surface for rea... Good crystallinity can reduce the charge recombination centers caused by defects,whilst structures with strong polycondensation have high charge mobility,leading to more charge transfer to the material surface for reaction.Much effort has been put into the preparation of a highly efficient g-C_(3)N_(4) with defects to improve its application potential under the premise in high crystallinity.Hence,this review paper emphasizes the importance to balance the defect and crystallinity of g-C_(3)N_(4).In addition,detailed discussion on the relationship between defects and activity of g-C_(3)N_(4) was carried out based on its applications in environmental purification(e.g.,VOCs oxidation,NO_(x) oxidation,H_(2)O_(2) evolution,sterilization,pesticide oxidation)and energy conversion(H_(2) evolution,N_(2) fixation and CO_(2) reduction).Lastly,the challenge in developing more efficient defective g-C_(3)N_(4) photocatalytic materials is summarized. 展开更多
关键词 PHOTOCATALYSIS defect G-C_(3)N_(4) CRYSTALLINITY APPLICATION
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Impact of oxygen incorporation on interface optimization and defect suppression for efficiency enhancement in Cu_(2)ZnSn(S,Se)_(4)solar cells
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作者 Shicheng Deng Songfan Wang +7 位作者 Yuanyuan Wang Qian Xiao Yuena Meng Dongxing Kou Wenhui Zhou Zhengji Zhou Zhi Zheng Sixin Wu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第8期77-85,I0003,共10页
Kesterite Cu_(2)ZnSn(S,Se)_(4)(CZTSSe)solar cells suffer from severe carrier recombination,limiting the photovoltaic performance.Unfavorable energy band alignment at the p-n junction and defective front interface are ... Kesterite Cu_(2)ZnSn(S,Se)_(4)(CZTSSe)solar cells suffer from severe carrier recombination,limiting the photovoltaic performance.Unfavorable energy band alignment at the p-n junction and defective front interface are two main causes.Herein,oxygen incorporation in CZTSSe via absorber air-annealing was developed as a strategy to optimize its surface photoelectric property and reduce the defects.With optimized oxygen incorporation conditions,the carrier separation and collection behavior at the front interface of the device is improved.In particular,it is found that oxygen incorporated absorber exhibits increased band bending,larger depletion region width,and suppressed absorber defects.These indicate the dynamic factors for carrier separation become stronger.Meanwhile,the increased potential difference between grain boundaries and intra grains combined with the decreased concentration of interface deep level defect in the absorber provide a better path for carrier transport.As a consequence,the champion efficiency of CZTSSe solar cells has been improved from 9.74%to 12.04%with significantly improved open-circuit voltage after optimized air-annealing condition.This work provides a new insight for interface engineering to improve the photoelectric conversion efficiency of CZTSSe devices. 展开更多
关键词 KESTERITE Thin film solar cell Interface optimization Surface oxidation defect suppression
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Microscopic defects formation and dynamic mechanical response analysis of Q345 steel plate subjected to explosive load
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作者 Zhengqing Zhou Zechen Du +6 位作者 Yulong Zhang Guili Yang Ruixiang Wang Yuzhe Liu Peize Zhang Yaxin Zhang Xiao Wang 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第2期430-442,共13页
As the basic protective element, steel plate had attracted world-wide attention because of frequent threats of explosive loads. This paper reports the relationships between microscopic defects of Q345 steel plate unde... As the basic protective element, steel plate had attracted world-wide attention because of frequent threats of explosive loads. This paper reports the relationships between microscopic defects of Q345 steel plate under the explosive load and its macroscopic dynamics simulation. Firstly, the defect characteristics of the steel plate were investigated by stereoscopic microscope(SM) and scanning electron microscope(SEM). At the macroscopic level, the defect was the formation of cave which was concentrated in the range of 0-3.0 cm from the explosion center, while at the microscopic level, the cavity and void formation were the typical damage characteristics. It also explains that the difference in defect morphology at different positions was the combining results of high temperature and high pressure. Secondly, the variation rules of mechanical properties of steel plate under explosive load were studied. The Arbitrary Lagrange-Euler(ALE) algorithm and multi-material fluid-structure coupling method were used to simulate the explosion process of steel plate. The accuracy of the method was verified by comparing the deformation of the simulation results with the experimental results, the pressure and stress at different positions on the surface of the steel plate were obtained. The simulation results indicated that the critical pressure causing the plate defects may be approximately 2.01 GPa. On this basis, it was found that the variation rules of surface pressure and microscopic defect area of the Q345 steel plate were strikingly similar, and the corresponding mathematical relationship between them was established. Compared with Monomolecular growth fitting models(MGFM) and Logistic fitting models(LFM), the relationship can be better expressed by cubic polynomial fitting model(CPFM). This paper illustrated that the explosive defect characteristics of metal plate at the microscopic level can be explored by analyzing its macroscopic dynamic mechanical response. 展开更多
关键词 Explosive load Q345 steel Micro defect Finite element simulation Dynamic response Data fitting
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YOLO-DD:Improved YOLOv5 for Defect Detection
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作者 Jinhai Wang Wei Wang +4 位作者 Zongyin Zhang Xuemin Lin Jingxian Zhao Mingyou Chen Lufeng Luo 《Computers, Materials & Continua》 SCIE EI 2024年第1期759-780,共22页
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 b... 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. 展开更多
关键词 YOLO-DD defect detection feature fusion attention mechanism
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Properties of radiation defects and threshold energy of displacement in zirconium hydride obtained by new deep-learning potential
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作者 王玺 唐孟 +3 位作者 蒋明璇 陈阳春 刘智骁 邓辉球 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第7期456-465,共10页
Zirconium hydride(ZrH_2) is an ideal neutron moderator material. However, radiation effect significantly changes its properties, which affect its behavior and the lifespan of the reactor. The threshold energy of displ... Zirconium hydride(ZrH_2) is an ideal neutron moderator material. However, radiation effect significantly changes its properties, which affect its behavior and the lifespan of the reactor. The threshold energy of displacement is an important quantity of the number of radiation defects produced, which helps us to predict the evolution of radiation defects in ZrH_2.Molecular dynamics(MD) and ab initio molecular dynamics(AIMD) are two main methods of calculating the threshold energy of displacement. The MD simulations with empirical potentials often cannot accurately depict the transitional states that lattice atoms must surpass to reach an interstitial state. Additionally, the AIMD method is unable to perform largescale calculation, which poses a computational challenge beyond the simulation range of density functional theory. Machine learning potentials are renowned for their high accuracy and efficiency, making them an increasingly preferred choice for molecular dynamics simulations. In this work, we develop an accurate potential energy model for the ZrH_2 system by using the deep-potential(DP) method. The DP model has a high degree of agreement with first-principles calculations for the typical defect energy and mechanical properties of the ZrH_2 system, including the basic bulk properties, formation energy of point defects, as well as diffusion behavior of hydrogen and zirconium. By integrating the DP model with Ziegler–Biersack–Littmark(ZBL) potential, we can predict the threshold energy of displacement of zirconium and hydrogen in ε-ZrH_2. 展开更多
关键词 zirconium hydride deep learning potential radiation defects molecular dynamics threshold energy of displacement
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Molecular Dynamics Simulation of Shock Response of CL-20 Co-crystals Containing Void Defects
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作者 Changlin Li Wei Yang +5 位作者 Qiang Gan Yajun Wang Lin Liang Wenbo Zhang Shuangfei Zhu Changgen Feng 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期364-374,共11页
To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitro... To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitrobenzene(DNB),solvents ligands dimethyl carbonate(DMC) and gamma-butyrolactone(GBL)with void were simulated,using molecular dynamics method and reactive force field.It is found that the CL-20 co-crystals with void defects will form hot spots when impacted,significantly affecting the decomposition of molecules around the void.The degree of molecular fragmentation is relatively low under the reflection velocity of 2 km/s,and the main reactions are the formation of dimer and the shedding of nitro groups.The existence of voids reduces the safety of CL-20 co-crystals,which induced the sensitivity of energetic co-crystals CL-20/TNT and CL-20/DNB to increase more significantly.Detonation has occurred under the reflection velocity of 4 km/s,energetic co-crystals are easier to polymerize than solvent co-crystals,and are not obviously affected by voids.The results show that the energy of the wave decreases after sweeping over the void,which reduces the chemical reaction frequency downstream of the void and affects the detonation performance,especially the solvent co-crystals. 展开更多
关键词 CL-20 co-crystals Molecular dynamics simulation Reactive forcefield Impact response Hot spot Void defect
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Static Analysis Techniques for Fixing Software Defects in MPI-Based Parallel Programs
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作者 Norah Abdullah Al-Johany Sanaa Abdullah Sharaf +1 位作者 Fathy Elbouraey Eassa Reem Abdulaziz Alnanih 《Computers, Materials & Continua》 SCIE EI 2024年第5期3139-3173,共35页
The Message Passing Interface (MPI) is a widely accepted standard for parallel computing on distributed memorysystems.However, MPI implementations can contain defects that impact the reliability and performance of par... The Message Passing Interface (MPI) is a widely accepted standard for parallel computing on distributed memorysystems.However, MPI implementations can contain defects that impact the reliability and performance of parallelapplications. Detecting and correcting these defects is crucial, yet there is a lack of published models specificallydesigned for correctingMPI defects. To address this, we propose a model for detecting and correcting MPI defects(DC_MPI), which aims to detect and correct defects in various types of MPI communication, including blockingpoint-to-point (BPTP), nonblocking point-to-point (NBPTP), and collective communication (CC). The defectsaddressed by the DC_MPI model include illegal MPI calls, deadlocks (DL), race conditions (RC), and messagemismatches (MM). To assess the effectiveness of the DC_MPI model, we performed experiments on a datasetconsisting of 40 MPI codes. The results indicate that the model achieved a detection rate of 37 out of 40 codes,resulting in an overall detection accuracy of 92.5%. Additionally, the execution duration of the DC_MPI modelranged from 0.81 to 1.36 s. These findings show that the DC_MPI model is useful in detecting and correctingdefects in MPI implementations, thereby enhancing the reliability and performance of parallel applications. TheDC_MPImodel fills an important research gap and provides a valuable tool for improving the quality ofMPI-basedparallel computing systems. 展开更多
关键词 High-performance computing parallel computing software engineering software defect message passing interface DEADLOCK
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Customized scaffolds for large bone defects using 3D‑printed modular blocks from 2D‑medical images
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作者 Anil AAcar Evangelos Daskalakis +4 位作者 Paulo Bartolo Andrew Weightman Glen Cooper Gordon Blunn Bahattin Koc 《Bio-Design and Manufacturing》 SCIE EI CAS CSCD 2024年第1期74-87,共14页
Additive manufacturing(AM)has revolutionized the design and manufacturing of patient-specific,three-dimensional(3D),complex porous structures known as scaffolds for tissue engineering applications.The use of advanced ... Additive manufacturing(AM)has revolutionized the design and manufacturing of patient-specific,three-dimensional(3D),complex porous structures known as scaffolds for tissue engineering applications.The use of advanced image acquisition techniques,image processing,and computer-aided design methods has enabled the precise design and additive manufacturing of anatomically correct and patient-specific implants and scaffolds.However,these sophisticated techniques can be timeconsuming,labor-intensive,and expensive.Moreover,the necessary imaging and manufacturing equipment may not be readily available when urgent treatment is needed for trauma patients.In this study,a novel design and AM methods are proposed for the development of modular and customizable scaffold blocks that can be adapted to fit the bone defect area of a patient.These modular scaffold blocks can be combined to quickly form any patient-specific scaffold directly from two-dimensional(2D)medical images when the surgeon lacks access to a 3D printer or cannot wait for lengthy 3D imaging,modeling,and 3D printing during surgery.The proposed method begins with developing a bone surface-modeling algorithm that reconstructs a model of the patient’s bone from 2D medical image measurements without the need for expensive 3D medical imaging or segmentation.This algorithm can generate both patient-specific and average bone models.Additionally,a biomimetic continuous path planning method is developed for the additive manufacturing of scaffolds,allowing porous scaffold blocks with the desired biomechanical properties to be manufactured directly from 2D data or images.The algorithms are implemented,and the designed scaffold blocks are 3D printed using an extrusion-based AM process.Guidelines and instructions are also provided to assist surgeons in assembling scaffold blocks for the self-repair of patient-specific large bone defects. 展开更多
关键词 Additive manufacturing Modular scaffolds Large bone defect Customized scaffold design Patient-specific scaffolds
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A Composite Transformer-Based Multi-Stage Defect Detection Architecture for Sewer Pipes
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作者 Zifeng Yu Xianfeng Li +2 位作者 Lianpeng Sun Jinjun Zhu Jianxin Lin 《Computers, Materials & Continua》 SCIE EI 2024年第1期435-451,共17页
Urban sewer pipes are a vital infrastructure in modern cities,and their defects must be detected in time to prevent potential malfunctioning.In recent years,to relieve the manual efforts by human experts,models based ... Urban sewer pipes are a vital infrastructure in modern cities,and their defects must be detected in time to prevent potential malfunctioning.In recent years,to relieve the manual efforts by human experts,models based on deep learning have been introduced to automatically identify potential defects.However,these models are insufficient in terms of dataset complexity,model versatility and performance.Our work addresses these issues with amulti-stage defect detection architecture using a composite backbone Swin Transformer.Themodel based on this architecture is trained using a more comprehensive dataset containingmore classes of defects.By ablation studies on the modules of combined backbone Swin Transformer,multi-stage detector,test-time data augmentation and model fusion,it is revealed that they all contribute to the improvement of detection accuracy from different aspects.The model incorporating all these modules achieves the mean Average Precision(mAP)of 78.6% at an Intersection over Union(IoU)threshold of 0.5.This represents an improvement of 14.1% over the ResNet50 Faster Region-based Convolutional Neural Network(R-CNN)model and a 6.7% improvement over You Only Look Once version 6(YOLOv6)-large,the highest in the YOLO methods.In addition,for other defect detection models for sewer pipes,although direct comparison with themis infeasible due to the unavailability of their private datasets,our results are obtained from a more comprehensive dataset and have superior generalization capabilities. 展开更多
关键词 Sewer pipe defect detection deep learning model optimization composite transformer
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SAM Era:Can It Segment Any Industrial Surface Defects?
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作者 Kechen Song Wenqi Cui +2 位作者 Han Yu Xingjie Li Yunhui Yan 《Computers, Materials & Continua》 SCIE EI 2024年第3期3953-3969,共17页
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 intellige... 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. 展开更多
关键词 Segment anything SAM surface defect detection salient object detection
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Defect Detection Model Using Time Series Data Augmentation and Transformation
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作者 Gyu-Il Kim Hyun Yoo +1 位作者 Han-Jin Cho Kyungyong Chung 《Computers, Materials & Continua》 SCIE EI 2024年第2期1713-1730,共18页
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 depende... 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. 展开更多
关键词 defect detection time series deep learning data augmentation data transformation
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SDH-FCOS:An Efficient Neural Network for Defect Detection in Urban Underground Pipelines
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作者 Bin Zhou Bo Li +2 位作者 Wenfei Lan Congwen Tian Wei Yao 《Computers, Materials & Continua》 SCIE EI 2024年第1期633-652,共20页
Urban underground pipelines are an important infrastructure in cities,and timely investigation of problems in underground pipelines can help ensure the normal operation of cities.Owing to the growing demand for defect... Urban underground pipelines are an important infrastructure in cities,and timely investigation of problems in underground pipelines can help ensure the normal operation of cities.Owing to the growing demand for defect detection in urban underground pipelines,this study developed an improved defect detection method for urban underground pipelines based on fully convolutional one-stage object detector(FCOS),called spatial pyramid pooling-fast(SPPF)feature fusion and dual detection heads based on FCOS(SDH-FCOS)model.This study improved the feature fusion component of the model network based on FCOS,introduced an SPPF network structure behind the last output feature layer of the backbone network,fused the local and global features,added a top-down path to accelerate the circulation of shallowinformation,and enriched the semantic information acquired by shallow features.The ability of the model to detect objects with multiple morphologies was strengthened by introducing dual detection heads.The experimental results using an open dataset of underground pipes show that the proposed SDH-FCOS model can recognize underground pipe defects more accurately;the average accuracy was improved by 2.7% compared with the original FCOS model,reducing the leakage rate to a large extent and achieving real-time detection.Also,our model achieved a good trade-off between accuracy and speed compared with other mainstream methods.This proved the effectiveness of the proposed model. 展开更多
关键词 Urban underground pipelines defect detection SDH-FCOS feature fusion SPPF dual detection heads
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