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A Parallelized Grey Wolf Optimizer-Based Fuzzy C-Means for Fast and Accurate MRI Segmentation on GPU
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作者 Mohammed Debakla Ali Mezaghrani +1 位作者 Khalifa Djemal Imane Zouaneb 《Computers, Materials & Continua》 2026年第2期668-688,共21页
Magnetic Resonance Imaging(MRI)has a pivotal role in medical image analysis,for its ability in supporting disease detection and diagnosis.Fuzzy C-Means(FCM)clustering is widely used for MRI segmentation due to its abi... Magnetic Resonance Imaging(MRI)has a pivotal role in medical image analysis,for its ability in supporting disease detection and diagnosis.Fuzzy C-Means(FCM)clustering is widely used for MRI segmentation due to its ability to handle image uncertainty.However,the latter still has countless limitations,including sensitivity to initialization,susceptibility to local optima,and high computational cost.To address these limitations,this study integrates Grey Wolf Optimization(GWO)with FCM to enhance cluster center selection,improving segmentation accuracy and robustness.Moreover,to further refine optimization,Fuzzy Entropy Clustering was utilized for its distinctive features from other traditional objective functions.Fuzzy entropy effectively quantifies uncertainty,leading to more well-defined clusters,improved noise robustness,and better preservation of anatomical structures in MRI images.Despite these advantages,the iterative nature of GWO and FCM introduces significant computational overhead,which restricts their applicability to high-resolution medical images.To overcome this bottleneck,we propose a Parallelized-GWO-based FCM(P-GWO-FCM)approach using GPU acceleration,where both GWO optimization and FCM updates(centroid computation and membership matrix updates)are parallelized.By concurrently executing these processes,our approach efficiently distributes the computational workload,significantly reducing execution time while maintaining high segmentation accuracy.The proposed parallel method,P-GWO-FCM,was evaluated on both simulated and clinical brain MR images,focusing on segmenting white matter,gray matter,and cerebrospinal fluid regions.The results indicate significant improvements in segmentation accuracy,achieving a Jaccard Similarity(JS)of 0.92,a Partition Coefficient Index(PCI)of 0.91,a Partition Entropy Index(PEI)of 0.25,and a Davies-Bouldin Index(DBI)of 0.30.Experimental comparisons demonstrate that P-GWO-FCM outperforms existing methods in both segmentation accuracy and computational efficiency,making it a promising solution for real-time medical image segmentation. 展开更多
关键词 Grey wolf optimizer FCM GPU parallel MRI segmentation
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Nuclear heating at the JSI TRIGA reactor:measurements and simulations
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作者 Klemen Ambrožič Hubert Carcreff +4 位作者 Vladimir Radulović Damien Fourmentel Christophe Destouches Nicolas Thiollay Luka Snoj 《Nuclear Science and Techniques》 2026年第4期243-253,共11页
Nuclear heating plays an important aspect in design and deployment of both fission and fusion reactors and experimental devices in terms of cooling requirements. Two experimental campaigns in the framework of a collab... Nuclear heating plays an important aspect in design and deployment of both fission and fusion reactors and experimental devices in terms of cooling requirements. Two experimental campaigns in the framework of a collaboration project between the French Atomic and Alternative Energy Commission(CEA) and Jožef Stefan Institute(JSI), Slovenia, have been performed at the JSI TRIGA reactor for the experimental assessment of nuclear heating in fission and fusion-relevant materials by the differential calorimetry technique, based on the CALMOS and CARMEN differential calorimeters, previously developed at CEA. The results of the first campaign performed at reactor powers between 100 and 250 kW have already been reported, highlighting some measurement difficulties. Therefore, the second campaign was performed at a lower reactor power of 30 kW to overcome these issues. Moreover, a computational analysis of the experiments was performed using the JSIR2S code package to calculate the nuclear heating levels. Both experiments and their reproduction by simulations are described in detail. We present a comparison of the previously reported measured nuclear heating values of the first campaign with the computational results, with consistent underestimation by simulations by 8–35%. We report the experimental and computational results for the second experimental campaign performed at a reactor power of 30 kW. The simulated heating values were in agreement with the measurements within the measured heating uncertainty, with simulated heating 2.7–11.3% lower than the experimental values. 展开更多
关键词 Nuclear heating Differential calorimeter R2S MCNP Eurofer97 TUNGSTEN
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Tracing equatorward and poleward boundaries of the magnetospheric cusp from a simulated X-ray image
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作者 Xue Wang TianRan Sun +4 位作者 C.Philippe Escoubet Andy Read YiHong Guo Steve Sembay Chi Wang 《Earth and Planetary Physics》 2026年第1期144-155,共12页
A large-scale view of the magnetospheric cusp is expected to be obtained by the Soft X-ray Imager(SXI)onboard the Solar wind Magnetosphere Ionosphere Link Explorer(SMILE).However,it is challenging to trace the three-d... A large-scale view of the magnetospheric cusp is expected to be obtained by the Soft X-ray Imager(SXI)onboard the Solar wind Magnetosphere Ionosphere Link Explorer(SMILE).However,it is challenging to trace the three-dimensional cusp boundary from a two-dimensional X-ray image because the detected X-ray signals will be integrated along the line of sight.In this work,a global magnetohydrodynamic code was used to simulate the X-ray images and photon count images,assuming an interplanetary magnetic field with a pure Bz component.The assumption of an elliptic cusp boundary at a given altitude was used to trace the equatorward and poleward boundaries of the cusp from a simulated X-ray image.The average discrepancy was less than 0.1 RE.To reduce the influence of instrument effects and cosmic X-ray backgrounds,image denoising was considered before applying the method above to SXI photon count images.The cusp boundaries were reasonably reconstructed from the noisy X-ray image. 展开更多
关键词 SMILE mission X-ray image cusp boundary
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150 ka以来东南亚岛屿风化历史:来自深海钻孔MD98-2162的证据 被引量:1
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作者 徐增武 于兆杰 +5 位作者 唐小洁 康晓莹 李小然 Christophe Colin 常凤鸣 万世明 《地球环境学报》 2025年第4期433-443,459,共12页
印度洋-太平洋交汇区(印太交汇区)岛弧化学风化可能对调节大气CO_(2)浓度变化起着重要作用。然而,目前该区域内岛屿风化历史和控制机制仍不清楚,主要体现在热带地区降水和温度的复杂变化及其与全球气候变化的关系难以区分,存在较多的争... 印度洋-太平洋交汇区(印太交汇区)岛弧化学风化可能对调节大气CO_(2)浓度变化起着重要作用。然而,目前该区域内岛屿风化历史和控制机制仍不清楚,主要体现在热带地区降水和温度的复杂变化及其与全球气候变化的关系难以区分,存在较多的争论。利用MD98-2162孔的主量元素、MD98-2162和MD01-2378孔的色度记录,并结合已有的总有机碳(TOC)含量等记录,研究印太交汇区风化和沉积输入演化对不同气候强迫因子的响应关系,结果表明:MD98-2162孔风化记录主要受控于源区降水变化,表现出显著的岁差周期;而MD98-2162和MD01-2378孔亮度(L*)值与TOC含量主要受海平面变化影响,表现为偏心率周期。通过对比同钻孔的不同古气候代用指标,区分了热带地区降水和温度对不同地球轨道参数(岁差和偏心率)的不一致响应,结果表明晚第四纪以来热带地区可能不仅被动响应高纬气候,也可能发生主动变化,这仍需更多研究。 展开更多
关键词 印太交汇区 晚第四纪 化学风化 海洋沉积
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末次冰期以来东亚季风和海平面变化调控澎湖峡谷沉积记录
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作者 谢巍 赵宏超 +2 位作者 刘志飞 赵玉龙 Colin Christophe 《海洋地质与第四纪地质》 北大核心 2025年第4期17-25,共9页
澎湖峡谷由于其独特的地理位置和沉积环境,保存了高分辨率的沉积记录,为研究古环境演变提供了珍贵材料。本研究对2018年中法合作HydroSed航次在南海东北部澎湖峡谷西侧堤岸的MD18-3570钻井岩芯开展了1 cm分辨率X射线荧光光谱岩芯元素扫... 澎湖峡谷由于其独特的地理位置和沉积环境,保存了高分辨率的沉积记录,为研究古环境演变提供了珍贵材料。本研究对2018年中法合作HydroSed航次在南海东北部澎湖峡谷西侧堤岸的MD18-3570钻井岩芯开展了1 cm分辨率X射线荧光光谱岩芯元素扫描,结合14C测年,研究了过去54 ka以来深海峡谷沉积记录演变及其受控机制。研究发现,Al、Si与K元素在12~30 cal.kaBP期间呈现低值而在其他时期呈现高值,Zr元素与上述3种元素的变化趋势相反。此外,所有元素均呈现百年-千年尺度波动特征。本文选用K/Al比值反映陆源碎屑化学风化状态,Si/Al与Zr/Al比值反映陆源碎屑粒度变化。K/Al比值变化与董哥洞-葫芦洞石笋氧同位素记录变化相似,且在冷气候事件期间(新仙女木事件和海因里希事件H1-H5)呈现异常高值,表明东亚季风降水调控深海沉积物的化学风化状态。东亚季风降雨减弱,可能导致台湾流域化学风化减弱、物理剥蚀增强,体现为深海沉积记录的K/Al比值升高(化学风化减弱),季风降雨增强则诱发相反的沉积记录。粒度指标Zr/Al在低海平面时期(12~30 cal.kaBP)呈现高值,这可能与陆源碎屑搬运距离缩短导致的粗粒沉积物输入增加有关。因此,本研究认为海平面变化调控粗粒陆源碎屑输入,而季风降雨变化调控深海沉积的化学风化强度。本研究首次提供了澎湖峡谷沉积环境演变的长时间、高分辨率沉积记录,为深海峡谷沉积记录的演化机制提供新的见解。 展开更多
关键词 XRF岩芯元素扫描 东亚季风 海平面变化 末次冰期 澎湖峡谷
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Handling missing data in large-scale TBM datasets:Methods,strategies,and applications 被引量:1
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作者 Haohan Xiao Ruilang Cao +5 位作者 Zuyu Chen Chengyu Hong Jun Wang Min Yao Litao Fan Teng Luo 《Intelligent Geoengineering》 2025年第3期109-125,共17页
Substantial advancements have been achieved in Tunnel Boring Machine(TBM)technology and monitoring systems,yet the presence of missing data impedes accurate analysis and interpretation of TBM monitoring results.This s... Substantial advancements have been achieved in Tunnel Boring Machine(TBM)technology and monitoring systems,yet the presence of missing data impedes accurate analysis and interpretation of TBM monitoring results.This study aims to investigate the issue of missing data in extensive TBM datasets.Through a comprehensive literature review,we analyze the mechanism of missing TBM data and compare different imputation methods,including statistical analysis and machine learning algorithms.We also examine the impact of various missing patterns and rates on the efficacy of these methods.Finally,we propose a dynamic interpolation strategy tailored for TBM engineering sites.The research results show that K-Nearest Neighbors(KNN)and Random Forest(RF)algorithms can achieve good interpolation results;As the missing rate increases,the interpolation effect of different methods will decrease;The interpolation effect of block missing is poor,followed by mixed missing,and the interpolation effect of sporadic missing is the best.On-site application results validate the proposed interpolation strategy's capability to achieve robust missing value interpolation effects,applicable in ML scenarios such as parameter optimization,attitude warning,and pressure prediction.These findings contribute to enhancing the efficiency of TBM missing data processing,offering more effective support for large-scale TBM monitoring datasets. 展开更多
关键词 Tunnel boring machine(TBM) Missing data imputation Machine learning(ML) Time series interpolation Data preprocessing Real-time data stream
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Crosstalk between androgen signaling and the chemokine receptor CXCR4:a novel strategy to promote myelin regeneration
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作者 Marianne Bardy-Lagarde Narimène Asbelaoui Abdel Mouman Ghoumari 《Neural Regeneration Research》 SCIE CAS 2025年第9期2581-2582,共2页
Multiple sclerosis(MS)is the most common chronic disease of the central nervous system(CNS)in young adults and represents the first cause of severe handicap,originally non-traumatic(Oh et al.,2018).MS is chara cterize... Multiple sclerosis(MS)is the most common chronic disease of the central nervous system(CNS)in young adults and represents the first cause of severe handicap,originally non-traumatic(Oh et al.,2018).MS is chara cterized by the infiltration of auto reactive lymphocytes specific to myelin through the blood-brain barrier,which results in the appearance of inflammatory demyelinating lesions caused by the death of the central nervous system myelinating cells,oligodendrocytes(Oh et al.,2018).There is a prevalence sexual with a ratio of three times more affected women than men. 展开更多
关键词 MYELIN CXCR4
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Tale of mitochondria and mitochondria-associated ER membrane in patient-derived neuronal models of Wolfram syndrome
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作者 Laetitia Aubry Timothy Barrett Sovan Sarkar 《Neural Regeneration Research》 SCIE CAS 2025年第9期2587-2588,共2页
Mitochondria and mitochondria-associated endoplasmic reticulum membrane in neurodegenerative diseases:Mitochondria generate most of the chemical energy needed to power the biochemical reactions of cells,and thus are o... Mitochondria and mitochondria-associated endoplasmic reticulum membrane in neurodegenerative diseases:Mitochondria generate most of the chemical energy needed to power the biochemical reactions of cells,and thus are often referred to as the"powerhouse"of the cell.Nevertheless,this organelle is also involved in a pleth,ora of different cellular functions such as calcium(Ca^(2+))homeostasis,apoptosis,oxidative stress,and several metabolic pathways including oxidative phosphorylation,tricarboxylic acid cycle,andβ-oxidation of fatty acids. 展开更多
关键词 OXIDATIVE CYCLE carboxylic
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Methods for Exact Solutions of Nonlinear Ordinary Differential Equations
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作者 Robert CONTE Micheline MUSETTE +1 位作者 Tuen Wai NG WU Chengfa 《数学进展》 北大核心 2025年第2期379-389,共11页
In order to find closed form solutions of nonintegrable nonlinear ordinary differential equations,numerous tricks have been proposed.The goal of this short review is to explain how a theorem of Eremenko on meromorphic... In order to find closed form solutions of nonintegrable nonlinear ordinary differential equations,numerous tricks have been proposed.The goal of this short review is to explain how a theorem of Eremenko on meromorphic solutions of some nonlinear ODEs together with some classical,19th-century results,can be turned into algorithms(thus avoiding ad hoc assumptions)which provide all(as opposed to some)solutions in a precise class.To illustrate these methods,we present some new such exact solutions,physically relevant. 展开更多
关键词 elliptic solution complex Ginzburg-Landau equation Closed-form solution Nevanlinna theory
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Microstructure Evolution and Residual Stress Redistribution in Selective Laser Melted TA15 Titanium Alloy Under Severe Shot Peening Treatment
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作者 Ang Yin Wenbo Li +2 位作者 Chengxi Wang Vincent Ji Chuanhai Jiang 《Acta Metallurgica Sinica(English Letters)》 2025年第11期1953-1964,共12页
A gradient nanostructured layer was fabricated on the surface of TA15(Ti-6Al-2Zr-1Mo-1V)alloy(produced by selective laser melting)using severe shot peening(SSP).This study focuses on the evolution of the microstructur... A gradient nanostructured layer was fabricated on the surface of TA15(Ti-6Al-2Zr-1Mo-1V)alloy(produced by selective laser melting)using severe shot peening(SSP).This study focuses on the evolution of the microstructure and the mechanism of grain refinement in TA15 titanium alloy during SSP treatment.Transmission electron microscopyand Rietveld refinement methods were employed.The residual stress and microhardness variations with depth were also characterized.The results show:(1)At the initial stage of deformation,plastic deformation is primarily accommodated through twinning and dislocation slip.(2)As the strain increases,twinning disappears,and dislocations interact to form tangles.Some dislocations annihilate and rearrange into subgrain boundaries,subdividing the original grains into subgrains.(3)With continued dislocation activity,the subgrain size decreases until nanocrystals are formed through the dynamic rotational recrystallization.SSP introduced compressive residual stress(CRS)in the near-surface layer of the material,with the maximum CRS of approximately−1141 MPa observed in the subsurface layer.It also induced work hardening,increasing the surface hardness to approximately 479 HV.However,the surface roughness increases,leading to a slight deterioration in surface quality. 展开更多
关键词 Severe shot peening Selective laser melting TA15 Residual stress Gradient nanostructured layer Microstructure
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Modeling stopping power of ions in plasmas using parametric potentials
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作者 Tanguy Barges Delattre Sébastien Rassou Jean-Christophe Pain 《Matter and Radiation at Extremes》 2025年第6期86-100,共15页
We present a study of the ion stopping power due to free and bound electrons in a warm dense plasma.Our main goal is to propose a method of stopping-power calculation expected to be valid for any ionization degree.The... We present a study of the ion stopping power due to free and bound electrons in a warm dense plasma.Our main goal is to propose a method of stopping-power calculation expected to be valid for any ionization degree.The free-electron contribution is described by the Maynard–Deutsch–Zimmerman formula,and the bound-electron contribution relies on the Bethe formula with corrections,in particular taking into account density and shell effects.The results of the bound-state computation using three different parametric potentials are investigated within the Garbet formalism for the mean excitation energy.The first parametric potential is due to Green,Sellin,and Zachor,the second one was proposed by Yunta,and the third one was introduced by Klapisch in the framework of atomic-structure computations.The results are compared with those of self-consistent average-atom calculations.This approach correctly bridges the limits of neutral and fully ionized matter. 展开更多
关键词 warm dense plasmaour free bound electrons maynard deutsch zimmerman formulaand parametric potentials ion stopping power bethe formula free electrons bound electrons
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Transition metals in water treatment:from fundamental mechanisms to practical applications
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作者 Yang Zhao Han Jiang +3 位作者 Feng Yang Rui Wang Yu-Qing Lu Yi-Fan Pan 《Rare Metals》 2025年第8期5258-5278,共21页
Transition metals have garnered significant attention for their roles in addressing energy shortages and environmental water pollution.Their multivalent states and unique electron transfer properties facilitate charge... Transition metals have garnered significant attention for their roles in addressing energy shortages and environmental water pollution.Their multivalent states and unique electron transfer properties facilitate charge transfer in the conversion reaction,expedite energy conversion,and achieve low-energy water treatment.This review comprehensively explores the fundamental mechanisms and practical applications of transition metals in water treatment,including adsorption,photocatalysis,electrocatalysis,photoelectrocatalysis,and other technologies.The feasibility of water treatment using transition metal-based materials is demonstrated through theoretical studies on typical transition metals employed in these water treatment technologies while emphasizing the potential for optimizing material performance through strategies like structural design,defect engineering,crystal engineering,composite materials,surface modification,and atomic catalysts.In addition,the utilization of transition metal-based materials in practical wastewater treatment is comprehensively reviewed.Finally,the challenges and perspectives of transition metal-based materials in practical wastewater treatment are outlined,providing a theoretical foundation and guidance for future research and engineering advancements. 展开更多
关键词 Transition metals Water treatment Charge transfer Practical applications Metal toxicity
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Numerical investigation on a comprehensive high-order finite particle scheme
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作者 Yudong LI Yan LI +2 位作者 Chunfa WANG PJOLI Zhiqiang FENG 《Applied Mathematics and Mechanics(English Edition)》 2025年第6期1187-1214,共28页
In the field of discretization-based meshfree/meshless methods,the improvements in the higher-order consistency,stability,and computational efficiency are of great concerns in computational science and numerical solut... In the field of discretization-based meshfree/meshless methods,the improvements in the higher-order consistency,stability,and computational efficiency are of great concerns in computational science and numerical solutions to partial differential equations.Various alternative numerical methods of the finite particle method(FPM)frame have been extended from mathematical theories to numerical applications separately.As a comprehensive numerical scheme,this study suggests a unified resolved program for numerically investigating their accuracy,stability,consistency,computational efficiency,and practical applicability in industrial engineering contexts.The high-order finite particle method(HFPM)and corrected methods based on the multivariate Taylor series expansion are constructed and analyzed to investigate the whole applicability in different benchmarks of computational fluid dynamics.Specifically,four benchmarks are designed purposefully from statical exact solutions to multifaceted hydrodynamic tests,which possess different numerical performances on the particle consistency,numerical discretized forms,particle distributions,and transient time evolutional stabilities.This study offers a numerical reference for the current unified resolved program. 展开更多
关键词 numerical method high-order finite particle method(HFPM) kernel gradient correction(KGC) decoupled finite particle method(DFPM) weakly compressible smoothed particle hydrodynamics(SPH)
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Characterizing thermal emission polarization with a mid-wave infrared broadband polarization state analyzer between 2.5 and 5 μm
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作者 Anne Nguyen Enrique Garcia-Caurel Benjamin Vest 《Advanced Photonics Nexus》 2025年第3期158-167,共10页
Recent progress in the design and fabrication of thermal metasurfaces allows a broad control of the properties of light emission,including its polarization state.Stokes polarimetry is a key approach to accurately char... Recent progress in the design and fabrication of thermal metasurfaces allows a broad control of the properties of light emission,including its polarization state.Stokes polarimetry is a key approach to accurately characterize partially polarized light.The quality of a Stokes polarimeter made of retarders and polarizers can be evaluated by use of metrics such as the equally weighted variance or the condition number of the matrix representing the polarimeter.Although specific instrument configurations are used to maximize polarimeter performance at a given wavelength,such optimal solutions are not spectrally robust because of the wave-length dependence of retardance.This becomes an issue in characterizing broadband thermal sources in the infrared.We report a Stokes polarimeter making use of five polarization analysis states and consisting of two simple and common optical elements—a crystalline waveplate and a linear polarizer.We combine this setup with a Fourier transform infrared spectrometer to measure accurately in a single set of acqui-sitions without requiring any spectral filtering,and to measure the polarization state with accuracy over a broad range of wavelengths.Such a Stokes polarimeter allows for close to optimal noise in the data reduc-tion process in the mid-wave infrared spectral range from 2.5 to 5μm. 展开更多
关键词 thermal emission POLARIMETRY INFRARED
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Stability analysis of conformable fractional order systems
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作者 Imed Basdouri Souad Kasmi Jean Lerbet 《Applied Mathematics(A Journal of Chinese Universities)》 2025年第3期752-762,共11页
In this paper, we study the stability of a class of conformable fractional-order systems using the Lyapunov function. We assume that the nonlinear part of the system satisfies the one-sided Lipschitz condition and the... In this paper, we study the stability of a class of conformable fractional-order systems using the Lyapunov function. We assume that the nonlinear part of the system satisfies the one-sided Lipschitz condition and the quadratic inner-bounded condition. We provide some sufficient conditions that ensure the asymptotic stability of the system. Furthermore, we present the construction of a feedback stabilizing controller for conformable fractional bilinear systems. 展开更多
关键词 conformable fractional exponential stability asymptotical stability one-sided Lipschitz
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Mapping Spatial Distributions within Pseudoscalar Mesons
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作者 Khepani Raya Adnan Bashir Jose Rodriguez-Quintero 《Chinese Physics Letters》 2025年第2期1-12,共12页
Several aspects of the internal structure of pseudoscalar mesons,accessible through generalized parton distri-butions in their zero-skewness limit,are examined.These include electromagnetic and gravitational form fact... Several aspects of the internal structure of pseudoscalar mesons,accessible through generalized parton distri-butions in their zero-skewness limit,are examined.These include electromagnetic and gravitational form factors related to charge and mass densities;and distributions in the impact parameter space.To this end,we employ an algebraically viable framework that is based upon the valence-quark generalized parton distribution expressed explicitly in terms of the associated distribution function and a profile function that governs the off-forward dynamics.The predominantly analytical nature of this scheme yields several algebraic results and relations while also facilitating the exploration of insightful limiting cases.With a suitable input distribution function,guided either by experiment or theory,and with an appropriate choice of the profile function,it is possible to provide testable predictions for spatial distributions of valence quarks inside pseudoscalar mesons.When comparison is possible,these predictions align well with existing experimental data as well as the findings of reliable theoretical approaches and lattice QCD. 展开更多
关键词 DYNAMICS SCALAR ALGEBRAIC
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Advances in Multiple Active Site Catalysts for Urea Synthesis via Electrocatalytic C–N Coupling
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作者 Yihang Yu Jingwei Li +7 位作者 Zhongwei Yue Meiting Guo Zhishan Li Mohamed Nawfal Ghazzal Wei Li San Ping Jiang Yi-Bing Cheng Jianyun Zheng 《Transactions of Tianjin University》 2025年第5期478-497,共20页
Electrocatalytic C–N coupling technology offers a promising route for green and sustainable urea synthesis.However,this route faces challenges of low urea yield and Faradaic efficiency due to the high dissociation en... Electrocatalytic C–N coupling technology offers a promising route for green and sustainable urea synthesis.However,this route faces challenges of low urea yield and Faradaic efficiency due to the high dissociation energy of atomic bonds in reactants,complex reaction intermediates,high reaction energy barriers,and competing side reactions.As C–N coupling involves the synergistic action of two or more active sites,it is crucial to develop efficient multi-active-site catalysts to address these challenges.This review analyzes the reaction mechanisms of electrocatalytic C–N coupling for urea synthesis and summarizes effective strategies to achieve multi-active-site catalysts,including heteroatom doping,defect engineering,heterojunctions,and diatomic catalysts.Furthermore,based on this analysis,we propose the universal design principles for high-efficiency multi-activesite catalysts. 展开更多
关键词 ELECTROCATALYSIS UREA Catalyst design C-N coupling Multi-active-site catalyst
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Reverse-normal immunopurification:An effective approach for purifying recombinant erythropoietin from its analogues in doping analysis
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作者 Sen He Die Wu +7 位作者 Chengshuai Niu Xinchao Liu Jie Zhang Liangzhi Xie Laurent Martin Kaifeng Liu Xinmiao Zhou Lisi Zhang 《Journal of Sport and Health Science》 2025年第6期107-116,共10页
Background Recombinant erythropoietin(rEPO)is commonly used in therapy but may be abused in sports to enhance endurance.In doping analysis,rEPO can be detected in human urine or blood samples at picogram(pg)levels bas... Background Recombinant erythropoietin(rEPO)is commonly used in therapy but may be abused in sports to enhance endurance.In doping analysis,rEPO can be detected in human urine or blood samples at picogram(pg)levels based on its slightly higher molecular weight(MW)than that of endogenous EPO using western blotting(WB).However,a type of variant erythropoietin(VAR-EPO)encoded by the EPO c.577del variant has a similar MW to rEPO,and these 2 molecules cannot be distinguished using conventional analytical methods.A fit-for-purpose method needs to be developed immediately.Methods In this study,we introduced a reverse–normal immunopurification technique for sample pretreatment to remove VAR-EPO from samples to eliminate its interference with rEPO detection.Firstly,a rabbit monoclonal antibody(mAb)that can specifically recognize trace amounts of VAR-EPO with high affinity was generated.Then,using this antibody to enrich VAR-EPO,we developed reverse–normal immunopurification coupled with WB on the purpose of analyzing rEPO in urine and serum samples.Next,the method was fully validated and evaluated using blank samples,spiked samples and rEPO excreted samples.Finally,the identification criteria of rEPO was established.Results A specific anti-VAR mAb with high affinity was developed.Using it,we developed the doping analytical method for rEPO.Our method effectively detects and removes VAR-EPO,enabling accurate rEPO detection.Conclusion A method has already been applied for rEPO confirmation in routine doping analyses. 展开更多
关键词 ERYTHROPOIETIN Doping analysis IMMUNOPURIFICATION Western blotting
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Hyperparameter optimization and force error correction of neuroevolution potential for predicting thermal conductivity of wurtzite GaN
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作者 Zhuo Chen Yuejin Yuan +3 位作者 Wenyang Ding Shouhang Li Meng An Gang Zhang 《Chinese Physics B》 2025年第8期157-164,共8页
As a representative of wide-bandgap semiconductors,wurtzite gallium nitride(GaN)has been widely utilized in highpower devices due to its high breakdown voltage and low specific on-resistance.Accurate prediction of wur... As a representative of wide-bandgap semiconductors,wurtzite gallium nitride(GaN)has been widely utilized in highpower devices due to its high breakdown voltage and low specific on-resistance.Accurate prediction of wurtzite GaN’s thermal conductivity is a prerequisite for designing effective thermal management systems for electronic applications.Machine learning-driven molecular dynamics simulation offers a promising approach to predicting the thermal conductivity of large-scale systems without requiring predefined parameters.However,these methods often underestimate the thermal conductivity of materials with inherently high thermal conductivity due to the large predicted force error compared with first-principles calculations,posing a critical challenge for their broader application.In this study,we successfully developed a neuroevolution potential for wurtzite GaN and accurately predicted its thermal conductivity,259±6 W/(m·K)at room temperature,achieving excellent agreement with reported experimental measurements.The hyperparameters of the neuroevolution potential(NEP)were optimized based on a systematic analysis of reproduced energy and force,structural features,and computational efficiency.Furthermore,a force error correction method was implemented,effectively reducing the error caused by the additional force noise in the Langevin thermostat by extrapolating to the zero-force error limit.This study provides valuable insights and holds significant implications for advancing efficient thermal management technologies in wide-bandgap semiconductor devices. 展开更多
关键词 machine learning potential molecular dynamics thermal conductivity gallium nitride
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Catalysis unleashed:Tuning the d-band center of Mo for efficient sodium polysulfide transformation
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作者 Shengqiang Zhang Miao Huang +4 位作者 Zeping Wang Qiao Wu Jinbo Bai Hui Wang Xiaojie Liu 《Journal of Energy Chemistry》 2025年第9期785-796,I0021,共13页
Understanding the structure-property relationship and the mechanisms by which catalysts promote polysulfide conversion is crucial for the rational design of room-temperature sodium-sulfur(RT Na-S)battery catalysts.Her... Understanding the structure-property relationship and the mechanisms by which catalysts promote polysulfide conversion is crucial for the rational design of room-temperature sodium-sulfur(RT Na-S)battery catalysts.Herein,we systematically investigate Fe-,Co-,and Ni-incorporated Mo_(2)C as catalysts for RT Na-S battery to elucidate the intrinsic correlation between the d band center of Mo in Mo_(2)C and its catalytic activity.Combining experimental and theoretical analysis revealed that Ni-substituted Mo_(2)C elevates the d band center while significantly reducing antibonding orbitals(π^(*))occupancy compared to Fe-substituted Mo_(2)C and Co-substituted Mo_(2)C counterparts.This electronic restruction enhances d-p hybridization at the Mo-S interface,which strengthens sodium polysulfides adsorption energy and enhances charge transfer,thereby steering sulfur redox pathways toward thermodynamically favorable configurations.Our findings elucidate the intricate interplay between the electronic structure and catalytic activity of Mo_(2)C,advancing a novel perspective for the rational design of RT Na-S battery catalysts through tailored modulation of antibonding orbital occupancy. 展开更多
关键词 Sodium-sulfur battery Electronic structure Catalytic activity d band center d-p hybridization
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