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基于Cascade R-CNN的风电叶片表面缺陷检测方法 被引量:1
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作者 毛颖杰 勾越 《微特电机》 2025年第5期85-88,共4页
风电叶片作为风力发电机组的关键部件,其表面缺陷的检测对于确保风电机组的稳定运行和延长使用寿命至关重要。传统的人工检测方法效率低、易受人为因素影响,提出了一种基于Cascade R-CNN的风电叶片表面缺陷检测方法。通过高分辨率无人... 风电叶片作为风力发电机组的关键部件,其表面缺陷的检测对于确保风电机组的稳定运行和延长使用寿命至关重要。传统的人工检测方法效率低、易受人为因素影响,提出了一种基于Cascade R-CNN的风电叶片表面缺陷检测方法。通过高分辨率无人机拍摄风电叶片表面图像,获取高质量的检测数据。采用Cascade R-CNN模型,该模型通过级联结构逐步提升检测精度,能够有效识别不同尺度的缺陷,如裂纹、划痕和腐蚀等常见损伤。为了提高模型的鲁棒性和泛化能力,采用了特征增强技术和多尺度特征融合方法,增强了模型对不同尺度和复杂特征的敏感度。通过数据扩充技术(如旋转、平移和缩放等变换)增加了训练样本的多样性,从而进一步提升了模型对不同光照、背景以及缺陷类型的适应能力。实验结果表明,该方法在平均精度(AP)上达到88.2%,在平均召回率(AR)上达到75.9%,显著优于传统检测方法,展示了更高的检测精度和效率。该方法不仅提升了风电叶片缺陷检测的精度和效率,也为风电叶片的智能化监控提供了有力的技术支持。 展开更多
关键词 风电叶片 缺陷检测 cascade R-CNN 目标检测 深度学习
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Natural products based on Correa's cascade for the treatment of gastric cancer trilogy:Current status and future perspective 被引量:3
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作者 Wenhao Liao Jing Wang Yuchen Li 《Journal of Pharmaceutical Analysis》 2025年第2期325-341,共17页
Gastric carcinoma(GC)is a malignancy with multifactorial involvement,multicellular regulation,and multistage evolution.The classic Correa's cascade of intestinal GC specifies a trilogy of malignant transformation ... Gastric carcinoma(GC)is a malignancy with multifactorial involvement,multicellular regulation,and multistage evolution.The classic Correa's cascade of intestinal GC specifies a trilogy of malignant transformation of the gastric mucosa,in which normal gastric mucosa gradually progresses from inactive or chronic active gastritis(Phase I)to gastric precancerous lesions(Phase II)and finally to GC(Phase III).Correa's cascade highlights the evolutionary pattern of GC and the importance of early intervention to prevent malignant transformation of the gastric mucosa.Intervening in early gastric mucosal lesions,i.e.,Phases I and II,will be the key strategy to prevent and treat GC.Natural products(NPs)have been an important source for drug development due to abundant sources,tremendous safety,and multiple pharmacodynamic mechanisms.This review is the first to investigate and summarize the multi-step effects and regulatory mechanisms of NPs on the Correa's cascade in gastric carcinogenesis.In Phase I,NPs modulate Helicobacter pylori urease activity,motility,adhesion,virulence factors,and drug resistance,thereby inhibiting H.pylori-induced gastric mucosal inflammation and oxidative stress,and facilitating ulcer healing.In Phase II,NPs modulate multiple pathways and mediators regulating gastric mucosal cell cycle,apoptosis,autophagy,and angiogenesis to reverse gastric precancerous lesions.In Phase III,NPs suppress cell proliferation,migration,invasion,angiogenesis,and cancer stem cells,induce apoptosis and autophagy,and enhance chemotherapeutic drug sensitivity for the treatment of GC.In contrast to existing work,we hope to uncover NPs with sequential therapeutic effects on multiple phases of GC development,providing new ideas for gastric cancer prevention,treatment,and drug development. 展开更多
关键词 Atrophic gastritis Correa's cascade DYSPLASIA Gastric carcinoma Helicobacter pylori Gastric precancerous lesions Intestinal metaplasia Natural products
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High peak power mini-array quantum cascade lasers operating in pulsed mode 被引量:1
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作者 Yuhang Zhang Yupei Wang +6 位作者 Xiaoyue Luo Chenhao Qian Yang Cheng Wu Zhao Fangyuan Sun Jun Wang Zheng-Ming Sun 《Chinese Physics B》 2025年第1期339-342,共4页
Broad area quantum cascade lasers(BA QCLs)have significant applications in many areas,but suffer from demanding pulse operating conditions and poor beam quality due to heat accumulation and generation of high order mo... Broad area quantum cascade lasers(BA QCLs)have significant applications in many areas,but suffer from demanding pulse operating conditions and poor beam quality due to heat accumulation and generation of high order modes.A structure of mini-array is adopted to improve the heat dissipation capacity and beam quality of BA QCLs.The active region is etched to form a multi-emitter and the channels are filled with In P:Fe,which acts as a lateral heat dissipation channel to improve the lateral heat dissipation efficiency.A device withλ~4.8μm,a peak output power of 122 W at 1.2%duty cycle with a pulse of 1.5μs is obtained in room temperature,with far-field single-lobed distribution.This result allows BA QCLs to obtain high peak power at wider pump pulse widths and higher duty cycle conditions,promotes the application of the mid-infrared laser operating in pulsed mode in th e field of standoff photoacoustic chemical detection,space optical communication,and so on. 展开更多
关键词 quantum cascade laser mini-array thermal management
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基于改进Cascade R-CNN的酒液杂质检测算法 被引量:1
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作者 郑明钊 赵润程 +2 位作者 张高毓 樊旭 司凯 《广东通信技术》 2025年第1期62-68,共7页
瓶装白酒中存在杂质会影响产品质量,目前已有基于机器视觉的杂质检测方法。为提升基于机器视觉的检测方法的精度,提出了一种改进的Cascade R-CNN算法用于自动检测酒液中的杂质。该方法采用Cascade R-CNN的基础架构,通过在骨干网络中引入... 瓶装白酒中存在杂质会影响产品质量,目前已有基于机器视觉的杂质检测方法。为提升基于机器视觉的检测方法的精度,提出了一种改进的Cascade R-CNN算法用于自动检测酒液中的杂质。该方法采用Cascade R-CNN的基础架构,通过在骨干网络中引入DCN v2以增强模型捕捉酒液杂质关键特征的能力;应用Libra R-CNN的平衡特征金字塔(BFP)以平衡候选区域的特征质量,为训练提供更提供更丰富的特征表示;使用InstaBoost进行数据增强,通过随机改变小目标实例的位置和大小来增加训练数据的多样性。通过与Faster R-CNN算法的对比实验结果分析,改进后的Cascade R-CNN算法相较于Faster R-CNN算法的AP值(平均精度)有明显的提升;改进后的Cascade R-CNN算法相较于Cascade R-CNN算法BaseLine的AP值有明显提升。因此,该研究提出的改进Cascade R-CNN算法针对酒液杂质的检测精度的提升是有效的。 展开更多
关键词 cascade R-CNN 小目标检测 DCN v2 BFP InstaBoost
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Structural design of a wide-ridge mid-wave infrared quantum cascade laser based on a supersymmetric waveguide
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作者 DU Shu-Hao ZHENG Xian-Tong +7 位作者 JIA Han CUI Jin-Tao ZHANG Shi-Ya LIU Yuan FENG Yu-Lin ZHANG Chun-Qian LIU Ming ZHANG Dong-Liang 《红外与毫米波学报》 北大核心 2025年第3期452-458,共7页
In the process of power scaling large-area Quantum Cascade Lasers(QCLs),challenges such as degradation of beam quality and emission of multilobed far-field modes are frequently encountered.These issues become particul... In the process of power scaling large-area Quantum Cascade Lasers(QCLs),challenges such as degradation of beam quality and emission of multilobed far-field modes are frequently encountered.These issues become particularly pronounced with an increase in ridge width,resulting in multimode problems.To tackle this,an innovative multi ridge waveguide structure based on the principle of supersymmetry(SUSY)was proposed.This structure comprises a wider main waveguide in the center and two narrower auxiliary waveguides on either side.The high-order modes of the main waveguide are coupled with the modes of the auxiliary waveguides through mode-matching design,and the optical loss of the auxiliary waveguides suppresses these modes,thereby achieving fundamental mode lasing of the wider main waveguide.This paper employs the finite difference eigenmode(FDE)method to perform detailed structural modeling and simulation optimization of the 4.6μm wavelength quantum cascade laser,successfully achieving a single transverse mode QCL with a ridge width of 10μm.In comparison to the traditional single-mode QCL(with a ridge width of about 5μm),the MRW structure has the potential to increase the gain area of the laser by 100%.This offers a novel design concept and methodology for enhancing the single-mode luminous power of mid-infrared quantum cascade lasers,which is of considerable significance. 展开更多
关键词 quantum cascade laser mode competition SUPERSYMMETRY MID-INFRARED auxiliary waveguides
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Study on the phytoplankton community structure and its driving factors in Furong Creek during spring and autumn under the influence of cascade weirs
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作者 REN Jiangshan YU Jun +2 位作者 LI Jingjuan LYU Jianzhang WANG Xiaogang 《水利水电技术(中英文)》 北大核心 2025年第3期171-185,共15页
[Objective]The construction of weirs changes the hydraulic characteristics of rivers and affects the structure of phytoplankton communities and the health of aquatic ecosystems in the river.This study aims to explore ... [Objective]The construction of weirs changes the hydraulic characteristics of rivers and affects the structure of phytoplankton communities and the health of aquatic ecosystems in the river.This study aims to explore the nonlinear response relationship between phytoplankton community structure and its driving factors in spring and autumn in Furong Creek under the construction of cascade weirs.[Methods]The structure of phytoplankton communities and related environmental factors were investigated in Furong Creek from 2023 to 2024.This study focused on the analysis of the changes of nutrient concentrations and biomass of phytoplankton in autumn and spring within the same dry season in Furong Creek.Redundancy analysis was used to identify the key factors influencing the structure of phytoplankton communities.The MIKE 11 model was employed to simulate the hydrodynamic changes in the river.Combined with total nitrogen and permanganate index,a GAM model of phytoplankton diversity index and hydrodynamic factors was developed,and the change of phytoplankton diversity after the optimized layout of the cascade weirs was fitted.[Results]The result showed that the annual average value of Shannon-Wiener diversity index of phytoplankton in Furong Creek was 2.79,which was in a state of mild pollution.A total of 239 species from 95 genera in 8 phyla were identified.Among the phytoplankton,Chlorophyta was the dominant group throughout the year in Furong Creek,followed by Bacillariophyta and Cyanophyta.The cell abundance of phytoplankton ranged from 3.11 to 20.64 mg/L and from 0.23 to 6.31 mg/L in spring and autumn,which indicated a clear seasonal succession of phytoplankton community structure.Compared with autumn,the relative abundance of Cyanophyta significantly decreased in spring across the whole river section,while Chrysophyta and Dinophyta showed significant increase at some monitoring sites,leading to water bloom phenomenon and a noticeable decline in the diversity of phytoplankton.The dominant species in the water bodies throughout the year were Cyclotella catenata,Chlorella vulgaris,Scenedesmus bijuga,Scenedesmus quadricauda,Chroomonas acuta,Cryptomonas ovata,and Cryptomonas erosa.Redundancy analysis(RDA)showed that hydrodynamic factors(v,h)and water environmental factors(TN,COD_(Mn))were the main influencing factors of phytoplankton community structure.[Conclusion]The result show that the nutrient concentration,phytoplankton biomass,and density in Furong Creek in spring are significantly higher than in autumn.The GAM model,constructed by combining hydrodynamic and environmental factors,can effectively reflect the nonlinear relationship between phytoplankton diversity index and its driving factors.In spring,with an increase in nutrient concentration,the habitat conditions of low flow speed and high water depths formed by overflow weirs will lead to a decrease in the Shannon-Wiener index of phytoplankton and an intensified risk of eutrophication.However,a reasonable layout scheme of cascade weirs will improve the diversity of phytoplankton and reduce the risk of eutrophication in the river.The findings of this study can help deepen the understanding of the ecological and environmental effects of cascade weir construction in the river. 展开更多
关键词 cascade weirs MIKE 11 model redundancy analysis GAM model influencing factors
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基于Cascade R-CNN算法的流域梯级电站水情自适应安全预警方法
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作者 戴宏伟 孙卫军 《计算技术与自动化》 2025年第2期147-153,共7页
当前流域梯级电站水情安全预警过程中,只能利用单一的高层特征,虚假警报比较高。因此,提出了基于Cascade R-CNN(级联网络结构)算法的流域梯级电站水情自适应安全预警方法。利用无人机采集流域梯级电站内的水尺图像后,通过直方图均衡化... 当前流域梯级电站水情安全预警过程中,只能利用单一的高层特征,虚假警报比较高。因此,提出了基于Cascade R-CNN(级联网络结构)算法的流域梯级电站水情自适应安全预警方法。利用无人机采集流域梯级电站内的水尺图像后,通过直方图均衡化处理和暗通道去雾处理,加强水尺图像清晰度。运用全局阈值法对水尺图像进行分割,保留目标图像区域。依托于Cascade R-CNN算法,设计包含特征金字塔网络、并行金字塔和多阈值检测器的水尺图像字符识别方法,自动识别出当前流域梯级电站水位情况。对比预先设置的水位阈值,得出水情自适应安全预警结果。实验结果表明:新研究方法预警结果的虚假警报比小于0.1,证明了其优越的水情安全预警能力。 展开更多
关键词 cascade R-CNN 梯级电站 水情 图像处理 水位识别 安全预警
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Synthesis of C2-Spiroindolines Based on the Cascade Reaction of 2-Aryl-3H-indoles with Cyclopropanols
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作者 Xueying Yang Yuanshuang Xu +1 位作者 Xinying Zhang Xuesen Fan 《有机化学》 北大核心 2025年第2期694-706,共13页
A novel synthesis of C2-spiroindoline derivatives based on the cascade reaction of 2-aryl-3H-indoles with cyclo- propanols is presented. The formation of product involves Rh(III)-catalyzed aryl C(sp2)—H bond alkylati... A novel synthesis of C2-spiroindoline derivatives based on the cascade reaction of 2-aryl-3H-indoles with cyclo- propanols is presented. The formation of product involves Rh(III)-catalyzed aryl C(sp2)—H bond alkylation of 2-aryl- 3H-indole, which is followed by intramolecular spiroannulation. In this tandem process, cyclopropanol acts as not only an alkylating agent but also a masked nucleophile to take part in the construction of the spirocyclic scaffold. Meanwhile, air acts as an economical and sustainable oxidant to promote the regeneration of the active catalyst. By using this method, hybrid compounds containing the central scaffolds of some clinical drugs were prepared effectively. In general, this newly developed method has advantages such as easily obtainable substrates, concise synthetic procedure, excellent atom-economy, good compatibility with diverse functional groups and ready scalability. 展开更多
关键词 C2-spiroindolines SYNTHESIS C-H bond activation cascade reaction 2-aryl-3H-indoles CYCLOPROPANOLS
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改进的Cascade R-CNN风力发电机叶片故障检测
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作者 任浩杰 蔡海洋 +1 位作者 杨锦涛 袁祺聪 《能源工程》 2025年第5期36-42,共7页
为解决风力发电机组在极端环境下风机叶片损伤较难检测的问题,进一步提高风力发电机组叶片损伤检测的准确性和效率,提出一种改进的Cascade R-CNN算法。使用专业操作员在风电场操控无人机拍摄的高清叶片图像作为数据集。应用多尺度策略和... 为解决风力发电机组在极端环境下风机叶片损伤较难检测的问题,进一步提高风力发电机组叶片损伤检测的准确性和效率,提出一种改进的Cascade R-CNN算法。使用专业操作员在风电场操控无人机拍摄的高清叶片图像作为数据集。应用多尺度策略和Albu离线数据增强等方法对数据集进行预处理。在Cascade R-CNN目标检测算法中添加路径增强特征金字塔、在线难例挖掘、可变形卷积、空间注意力机制、软非极大值抑制等方法,增强算法的泛化能力和检测精度。改进后的算法将平均检测精度从74.3%提升至83.7%,平均召回率从65.5%提升至76.5%,并在与YOLOv8、Faster R-CNN的对比中展现了优越性。改进后的Cascade R-CNN算法在风力发电机叶片巡检中具有实际可行性和有效性。 展开更多
关键词 cascade R-CNN 目标检测 无人机巡检 叶片损伤 风力发电
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Cascaded metasurfaces for adaptive aberration correction
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作者 Lei Zhang Tie Jun Cui 《Opto-Electronic Advances》 2025年第5期1-3,共3页
Aberration-corrected focus scanning is crucial for high-precision optics,but the conventional optical systems rely on bulky and complicated dynamic correctors.Recently,Shiyi Xiao's group proposed a method using tw... Aberration-corrected focus scanning is crucial for high-precision optics,but the conventional optical systems rely on bulky and complicated dynamic correctors.Recently,Shiyi Xiao's group proposed a method using two rotating cascaded transmissive metasurfaces for adaptive aberration correction in focus scanning.The optimized phase profiles enable precise control of the focal position for scanning custom-curved surfaces.This concept was experimentally validated by two allsilicon meta-devices in the terahertz regime,paving the way for high-precision and compact optical devices in various applications. 展开更多
关键词 precise control focal position optimized phase profiles rotating cascaded transmissive metasurfaces focus scanningthe adaptive aberration correction dynamic correctorsrecentlyshiyi terahertz reg cascaded metasurfaces
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Molecular dynamics simulations of collision cascades in polycrystalline tungsten
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作者 Lixia Liu Mingxuan Jiang +3 位作者 Ning Gao Yangchun Chen Wangyu Hu Hiuqiu Deng 《Chinese Physics B》 2025年第4期468-476,共9页
Using molecular dynamics methods,simulations of collision cascades in polycrystalline tungsten(W)have been conducted in this study,including different primary-knock-on atom(PKA)directions,grain sizes,and PKA energies ... Using molecular dynamics methods,simulations of collision cascades in polycrystalline tungsten(W)have been conducted in this study,including different primary-knock-on atom(PKA)directions,grain sizes,and PKA energies between 1 keV and 150 keV.The results indicate that a smaller grain size leads to more defects forming in grain boundary regions during cascade processes.The impact of high-energy PKA may cause a certain degree of distortion of the grain boundaries,which has a higher probability in systems with smaller grain sizes and becomes more pronounced as the PKA energy increases.The direction of PKA can affect the formation and diffusion pathways of defects.When the PKA direction is perpendicular to the grain boundary,defects preferentially form near the grain boundary regions;by contrast,defects are more inclined to form in the interior of the grains.These results are of great significance for comprehending the changes in the performance of polycrystalline W under the high-energy fusion environments and can provide theoretical guidance for further optimization and application of W-based plasma materials. 展开更多
关键词 collision cascades molecular dynamics simulations TUNGSTEN POLYCRYSTALLINE
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Frequency shifts of high-order harmonics from ZnO crystals by chirped laser pulses
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作者 Yu Zhao Xiao-Jin Liu +3 位作者 Shuang Wang Xiao-Xin Huo Yun-He Xing Jun Zhang 《Chinese Physics B》 2025年第3期340-346,共7页
We investigate theoretically the effects of chirped laser pulses on high-order harmonic generation(HHG)from solids.We find that the harmonic spectra display redshifts for the driving laser pulses with negative chirp a... We investigate theoretically the effects of chirped laser pulses on high-order harmonic generation(HHG)from solids.We find that the harmonic spectra display redshifts for the driving laser pulses with negative chirp and blueshifts for those with positive chirp,which is due to the change in the instantaneous frequency of the driving laser for different chirped pulses.The analysis of crystal-momentum-resolved(k-resolved)HHG reveals that the frequency shifts are equal for the harmonics generated by different crystal momentum channels.The frequency shifts in the cutoff region are larger than those in the plateau region.With the increase of the absolute value of the chirp parameters,the frequency shifts of HHG become more significant,leading to the shifts from odd-to even-order harmonics.We also demonstrate that the frequency shifts of harmonic spectra are related to the duration of the chirped laser field,but are insensitive to the laser intensity and dephasing time. 展开更多
关键词 high-order harmonic generation ZnO crystal chirped laser pulse spectral shift
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Accessing polyarene-fused ten-membered lactams via oxidative N-heterocyclic carbene(NHC)-catalyzed high-order[7+3]annulation
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作者 Chen-Chang Cui Shao-Qing Shi +4 位作者 Lu-Yao Wang Feng Lin Man-Su Tu Wen-Juan Hao Bo Jiang 《Chinese Chemical Letters》 2025年第6期479-483,共5页
A new oxidative N-heterocyclic carbene(NHC)-catalyzed high-order[7+3]annulation reaction ofγ-indolyl phenols as 1,7-dinucleophiles andα,β-alkynals with the aid of Sc(OTf)_(3)is reported,enabling the highly regiosel... A new oxidative N-heterocyclic carbene(NHC)-catalyzed high-order[7+3]annulation reaction ofγ-indolyl phenols as 1,7-dinucleophiles andα,β-alkynals with the aid of Sc(OTf)_(3)is reported,enabling the highly regioselective access to unprecedented polyarene-fused ten-membered lactams bearing a bridged aryl-aryl-indole scaffold in moderate to good yields.This protocol demonstrates a broad substrate scope,good compatibility with substituents and complete regioselectivity,providing an organocatalytic modular synthetic strategy for creating medium-sized lactams. 展开更多
关键词 NHC-catalysis high-order annulation Regioselectivity Medium-sized lactams γ-Indolyl phenols
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Leader-Following Consensus for a Class of Nonlinear Cascaded Multi-Agent Systems
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作者 LI Xianda KANG Jianling 《Journal of Donghua University(English Edition)》 2025年第2期213-218,共6页
This paper focuses on the problem of leaderfollowing consensus for nonlinear cascaded multi-agent systems.The control strategies for these systems are transformed into successive control problem schemes for lower-orde... This paper focuses on the problem of leaderfollowing consensus for nonlinear cascaded multi-agent systems.The control strategies for these systems are transformed into successive control problem schemes for lower-order error subsystems.A distributed consensus analysis for the corresponding error systems is conducted by employing recursive methods and virtual controllers,accompanied by a series of Lyapunov functions devised throughout the iterative process,which solves the leaderfollowing consensus problem of a class of nonlinear cascaded multi-agent systems.Specific simulation examples illustrate the effectiveness of the proposed control algorithm. 展开更多
关键词 cascaded multi-agent system distributed control CONSENSUS recursive method
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A wavelength interval switchable erbium-doped fiber laser based on cascaded and parallel Lyot filters
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作者 ZHANG Yinghui ZHOU Xuefang LAI Minquan 《Optoelectronics Letters》 2025年第5期257-264,共8页
This study presents the design of an erbium-doped fiber laser(EDFL) featuring switchable wavelength intervals achieved through the implementation of cascaded and parallel Lyot filters. The proposed laser system utiliz... This study presents the design of an erbium-doped fiber laser(EDFL) featuring switchable wavelength intervals achieved through the implementation of cascaded and parallel Lyot filters. The proposed laser system utilizes a cascaded and parallel configuration of three Lyot filters, facilitated by a polarization beam splitter(PBS) for branch switching. The transmission properties of the filter are analyzed through theoretical modeling and experimental validation using the transmission matrix method. The experimental results are found to be consistent with the theoretical predictions, demonstrating the effectiveness of the proposed design. By adjusting the polarization controllers(PCs), the proposed laser can switch between wavelength spacings of 0.46 nm, 0.27 nm, and 0.76 nm, with a maximum optical signal-to-noise ratio(OSNR) of 38 d B. However, the stability of the laser with a 0.27 nm spacing is not high due to wavelength competition. Power fluctuation for 0.46 nm and 0.76 nm intervals is less than 0.93 d B and 0.78 d B in 1 h, with wavelength fluctuation less than 0.068 nm and 0.19 nm, respectively. This EDFL has the advantages of simple structure, great flexibility, and switchability, which can be applied to fiber optic sensing, wavelength division multiplexing(WDM) networks, and other fields that require a very flexible light source. 展开更多
关键词 cascaded parallel lyot filters theoretical modeling transmission matrix method laser system cascaded parallel configuration switchable wavelength intervals branch switching polarization beam splitter pbs
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Unveiling the role of high-order anharmonicity in thermal expansion: A first-principles perspective
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作者 Tianxu Zhang Kun Zhou +5 位作者 Yingjian Li Chenhao Yi Muhammad Faizan Yuhao Fu Xinjiang Wang Lijun Zhang 《Chinese Physics B》 2025年第4期212-219,共8页
Thermal expansion is crucial for various industrial processes and is increasingly the focus of research endeavors aimed at improving material performance.However,it is the continuous advancements in first-principles c... Thermal expansion is crucial for various industrial processes and is increasingly the focus of research endeavors aimed at improving material performance.However,it is the continuous advancements in first-principles calculations that have enabled researchers to understand the microscopic origins of thermal expansion.In this study,we propose a coefficient of thermal expansion(CTE)calculation scheme based on self-consistent phonon theory,incorporating the fourth-order anharmonicity.We selected four structures(Si,CaZrF_(6),SrTiO_(3),NaBr)to investigate high-order anharmonicity’s impact on their CTEs,based on bonding types.The results indicate that our method goes beyond the second-order quasi-harmonic approximation and the third-order perturbation theory,aligning closely with experimental data.Furthermore,we observed that an increase in the ionicity of the structures leads to a more pronounced influence of high-order anharmonicity on CTE,with this effect primarily manifesting in variations of the Grüneisen parameter.Our research provides a theoretical foundation for accurately predicting and regulating the thermal expansion behavior of materials. 展开更多
关键词 high-order anharmonicity Grüneisen parameter thermal expansion first-principles calculations
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Artificial cascade biocatalysis for the synthesis of 2-aminocyclohexanols with contiguous stereocenters
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作者 Fei-Xiang Dong Tian Jin +4 位作者 Xiaojuan Yu Hong-Yue Wang Qi Chen Jian-He Xu Gao-Wei Zheng 《Chinese Journal of Catalysis》 2025年第1期345-355,共11页
Chiral cyclic amino alcohols with contiguous stereocenters are key building blocks in the synthesis of bioactive molecules and pharmaceuticals.Artificial cascade biocatalysis represents an attractive method for the sy... Chiral cyclic amino alcohols with contiguous stereocenters are key building blocks in the synthesis of bioactive molecules and pharmaceuticals.Artificial cascade biocatalysis represents an attractive method for the synthesis of chiral molecules bearing multiple stereocenters from readily available materials.Here we reported an artificial cascade biocatalysis comprising an epoxide hydrolase,an alcohol dehydrogenase,and a reductive aminase or an amine dehydrogenase.It can be utilized to access all four stereoisomers of 2-aminocyclohexanol with two contiguous stereocenters in high yields(up to 95%)and excellent stereoselectivity(up to 98%de)starting from readily available cyclohexene oxide without isolation of the intermediates.Additionally,the biocatalytic cascade has been successfully extended to the production of structurally diverse 2-(alkylamino)cyclohexanols by replacing ammonia with different organic amines. 展开更多
关键词 BIOCATALYSIS Enzyme cascade AMINOALCOHOL Reductive aminase Amine dehydrogenase
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A High-Order Scalar Auxiliary Variable Approach for Nonlinear Parabolic Integro-Differential Equations
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作者 YAN Li-na ZHANG Gen-gen HUANG Qiong-ao 《Chinese Quarterly Journal of Mathematics》 2025年第3期262-270,共9页
An efficient and accurate scalar auxiliary variable(SAV)scheme for numerically solving nonlinear parabolic integro-differential equation(PIDE)is developed in this paper.The original equation is first transformed into ... An efficient and accurate scalar auxiliary variable(SAV)scheme for numerically solving nonlinear parabolic integro-differential equation(PIDE)is developed in this paper.The original equation is first transformed into an equivalent system,and the k-order backward differentiation formula(BDF k)and central difference formula are used to discretize the temporal and spatial derivatives,respectively.Different from the traditional discrete method that adopts full implicit or full explicit for the nonlinear integral terms,the proposed scheme is based on the SAV idea and can be treated semi-implicitly,taking into account both accuracy and effectiveness.Numerical results are presented to demonstrate the high-order convergence(up to fourth-order)of the developed schemes and it is computationally efficient in long-time computations. 展开更多
关键词 Parabolic integro-differential equation Scalar auxiliary variable Fredholm equation high-order BDF scheme
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Influence of excited states in high-order harmonic generation at intense mid-infrared field
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作者 Yan Fang Da-Wei Tian +2 位作者 Yue Cao Xiao-Lei Hao Zheng Shu 《Chinese Physics B》 2025年第10期142-147,共6页
We present a comprehensive study on the role of various excited states in high-order harmonic generation of hydrogen atoms driven by a long-wavelength(1500 nm)laser field.By numerically solving the time-dependent Schr... We present a comprehensive study on the role of various excited states in high-order harmonic generation of hydrogen atoms driven by a long-wavelength(1500 nm)laser field.By numerically solving the time-dependent Schrodinger equation(TDSE)and performing a time-frequency analysis,we investigate the influence of individual excited states on the harmonic spectrum.Our results reveal that the 2s excited state primarily contributes to the enhancement of high-energy harmonic yields by facilitating long electron trajectories,while the 2p excited state predominantly suppresses harmonic yields in the lower-energy region(20th-50th orders)by altering the contributions of electron trajectories.Our results highlight the critical role of the excited states in the HHG process,even at longer laser wavelengths. 展开更多
关键词 high-order harmonic generation(HHG) strong-field physics excited-state effect
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Multipath cascade light harvesting for multicolor luminescence based on macrocyclic sulfonatocalix[4]arene
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作者 Wen-Wen Xu Yue-Xiu Qin +4 位作者 Xiao-Yong Yu Lin-Nan Jiang Heng-Yi Zhang Yong Chen Yu Liu 《Chinese Chemical Letters》 2025年第11期274-279,共6页
Herein,anthracene-pyridinium derivative(A1)is synthesized to assemble with amphiphilic sulfonatocalix[4]arene(SC4AD)with a porous cavity through electrostatic interaction,exhibiting enhanced fluorescence emission and ... Herein,anthracene-pyridinium derivative(A1)is synthesized to assemble with amphiphilic sulfonatocalix[4]arene(SC4AD)with a porous cavity through electrostatic interaction,exhibiting enhanced fluorescence emission and multipath fluorescence resonance energy transfer(FRET)with organic dyes(EY,Ni R or Cy5.5).In this nanoassembly,A1/SC4AD first transfers the energy to dye EY(first acceptor),and then delivers it to Ni R(second acceptor),which further transfers the energy to Cy5.5(third acceptor),accompanying with an emission ranging from 535 nm to 570 nm,then to 638 nm,and finally to near-infrared emission at 717 nm.Compared to one-step FRET(43.0%),the three-step FRET system shows higher energy transfer efficiency(FRET Ⅰ:84.9%,FRET Ⅱ:81.4%,FRET Ⅲ:66.9%).The donor/acceptor ratio is 3000(A1):20(EY):8(Ni R):5(Cy5.5),together with an antenna effect of 2.3.Additionally,diverse two-step cascade light-harvesting systems are successfully fabricated via tuning combination of dye acceptors.We believe that this multipath light-harvesting assembly will provide a direction for designing multiple sequential FRET and artificial light-harvesting systems. 展开更多
关键词 Multipath FRET cascade energy transfer LIGHT-HARVESTING Supramolecular assembly CALIXARENE
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