期刊文献+
共找到3,347篇文章
< 1 2 168 >
每页显示 20 50 100
Illusion Optics via Phase-Gradient Metasurfaces
1
作者 haoyao Pan Jinpeng Yang Yadong Xu 《Chinese Physics Letters》 2026年第1期31-36,共6页
Optical phase-gradient metasurfaces have garnered significant attention for enabling flexible light manipulation,with applications across diverse domains.In this work,we will demonstrate that the metasurfaces with pha... Optical phase-gradient metasurfaces have garnered significant attention for enabling flexible light manipulation,with applications across diverse domains.In this work,we will demonstrate that the metasurfaces with phase gradient modulation can be used to achieve illusion optics,featuring the advantages of simple geometric structure and feasible implementation compared with the well-known transformation optics method.The underlying mechanism is the anomalous diffraction law caused by the phase gradient,which provides a theoretical basis for freely manipulating the propagation path of light.By considering a specific example,we will demonstrate that the phase gradient can transform spatial coordinates in real space into illusion space,thereby converting a plane in real space into a curved surface structure in illusion space to achieve the illusion effect.This approach provides a viable alternative to transformation optics for designing illusion devices. 展开更多
关键词 transformation optics anomalous diffraction law illusion opticsfeaturing flexible light manipulationwith illusion optics anomalous diffraction phase gradient modulation phase gradient metasurfaces
原文传递
Mechanisms driving anammox bacteria enrichment in constructed wetlands for self-purification of high-nitrogen polluted wastewater:Environmental gradients and microbial interactions
2
作者 Lin Liu Jie Li +2 位作者 Yu Xin Quan-Bao Zhao Yu-Ming Zheng 《Journal of Environmental Sciences》 2026年第1期44-53,共10页
Anammox bacteria in constructed wetlands(CWs)play pivotal role in sustainable nitrogen transformation,yet existing studies lack comprehensive analysis of environmental gradients and microbial interactions,both key fac... Anammox bacteria in constructed wetlands(CWs)play pivotal role in sustainable nitrogen transformation,yet existing studies lack comprehensive analysis of environmental gradients and microbial interactions,both key factors in anammox bacteria enrichment.This study investigated the mechanisms driving anammox bacteria enrichment in lab-scale simulated CWs treating high-nitrogen wastewater,focusing on bacterial community re-sponses across wetland layers with various strategies,including continuous up-flow influent,nitrogen loading increase,effluent recirculation,intermittent influent,and anammox bacteria inoculation.Results showed that total relative and absolute abundances of anammox bacteria ranged from 0.77%to 12.50%and from 0.13 to 6.46×10^(7) copies/g,respectively.Dissolved oxygen and pH had significant positive correlations with the absolute abundance of anammox bacteria,while organic matter and nitrate negatively impacted their relative abundance.Permutational multivariate analysis of variance indicated that spatial heterogeneity explained more variation in anammox bacteria abundance(43.44%)compared to operational strategies(8.58%).In terms of microbial interactions,60 dominant species exhibited potential correlations with anammox bacteria,comprising 170 interactions(105 positive and 65 negative),which suggested that anammox bacteria generally foster cooperative relationships with dominant bacteria.Notably,significant interspecies interactions were observed between Candidatus Kuenenia(dominant anammox bacteria in CWs)and species within the genera Chitinivibrio-nia and Anaerolineaceae,suggesting that microbial interactions primarily manifest as indirect facilitative effects rather than direct mutualistic relationships.Given that the Normalized Stochasticity Ratio in CWs were<50%,this study inferred that environmental gradients have greater influence on anammox bacteria than microbial interactions. 展开更多
关键词 Self-purifying capacity Anammox bacteria Environmental gradient Constructed wetland Co-occurrence network Nature-based solution
原文传递
Scalable and Healable Gradient Textiles for Multi‑Scenario Radiative Cooling via Bicomponent Blow Spinning
3
作者 Baiyu Ji Yufeng Wang +6 位作者 Ying Liu Yongxu Zhao Fankun Xu Jian Huang Yue‑EMiao Chao Zhang Tianxi Liu 《Nano-Micro Letters》 2026年第3期338-353,共16页
Radiative cooling textiles with spectrally selective surfaces offer a promising energy-efficient approach for sub-ambient cooling of outdoor objects and individuals.However,the spectrally selective mid-infrared emissi... Radiative cooling textiles with spectrally selective surfaces offer a promising energy-efficient approach for sub-ambient cooling of outdoor objects and individuals.However,the spectrally selective mid-infrared emission of these textiles significantly hinders their efficient radiative heat exchange with self-heated objects,thereby posing a significant challenge to their versatile cooling applicability.Herein,we present a bicomponent blow spinning strategy for the production of scalable,ultra-flexible,and healable textiles featuring a tailored dual gradient in both chemical composition and fiber diameter.The gradient in the fiber diameter of this textile introduces a hierarchically porous structure across the sunlight incident area,thereby achieving a competitive solar reflectivity of 98.7%on its outer surface.Additionally,the gradient in the chemical composition of this textile contributes to the formation of Janus infrared-absorbing surfaces:The outer surface demonstrates a high mid-infrared emission,whereas the inner surface shows a broad infrared absorptivity,facilitating radiative heat exchange with underlying self-heated objects.Consequently,this textile demonstrates multi-scenario radiative cooling capabilities,enabling versatile outdoor cooling for unheated objects by 7.8℃ and self-heated objects by 13.6℃,compared to commercial sunshade fabrics. 展开更多
关键词 Gradient cooling textile Bicomponent blow spinning Janus spectral selectivity Radiative heat exchange Multi-scenario radiative cooling
在线阅读 下载PDF
A novel approach to identify the spatial characteristics of ozone-precursor sensitivity based on interpretable machine learning
4
作者 Huiling He Kaihui Zhao +6 位作者 Zibing Yuan Jin Shen Yujun Lin Shu Zhang Menglei Wang Anqi Wang Puyu Lian 《Journal of Environmental Sciences》 2026年第1期54-63,共10页
To curb the worsening tropospheric ozone(O_(3))pollution problem in China,a rapid and accurate identification of O_(3)-precursor sensitivity(OPS)is a crucial prerequisite for formulating effective contingency O_(3) po... To curb the worsening tropospheric ozone(O_(3))pollution problem in China,a rapid and accurate identification of O_(3)-precursor sensitivity(OPS)is a crucial prerequisite for formulating effective contingency O_(3) pollution control strategies.However,currently widely-used methods,such as statistical models and numerical models,exhibit inherent limitations in identifying OPS in a timely and accurate manner.In this study,we developed a novel approach to identify OPS based on eXtreme Gradient Boosting model,Shapley additive explanation(SHAP)al-gorithm,and volatile organic compound(VOC)photochemical decay adjustment,using the meteorology and speciated pollutant monitoring data as the input.By comparing the difference in SHAP values between base sce-nario and precursor reduction scenario for nitrogen oxides(NO_(x))and VOCs,OPS was divided into NO_(x)-limited,VOCs-limited and transition regime.Using the long-lasting O_(3) pollution episode in the autumn of 2022 at the Guangdong-Hong Kong-Macao Greater Bay Area(GBA)as an example,we demonstrated large spatiotemporal heterogeneities of OPS over the GBA,which were generally shifted from NO_(x)-limited to VOCs-limited from September to October and more inclined to be VOCs-limited at the central and NO_(x)-limited in the peripheral areas.This study developed an innovative OPS identification method by comparing the difference in SHAP value before and after precursor emission reduction.Our method enables the accurate identification of OPS in the time scale of seconds,thereby providing a state-of-the-art tool for the rapid guidance of spatial-specific O_(3) control strategies. 展开更多
关键词 O_(3)-precursor sensitivity Machine learning Extreme gradient boosting model Shapley algorithm Greater bay area
原文传递
复合高斯杂波下雷达目标自适应检测方法 被引量:1
5
作者 简涛 马颖亮 +2 位作者 谢梓铿 魏广芬 何佳 《信号处理》 北大核心 2025年第4期739-748,共10页
在高距离分辨率的宽带雷达探测场景下,背景杂波呈现出越来越强的非高斯特性,可用复合高斯分布进行合理建模;不同于传统窄带雷达的点目标,宽带雷达目标在径向距离维上展现距离扩展形式。针对复合高斯杂波下现有距离扩展目标检测方法对杂... 在高距离分辨率的宽带雷达探测场景下,背景杂波呈现出越来越强的非高斯特性,可用复合高斯分布进行合理建模;不同于传统窄带雷达的点目标,宽带雷达目标在径向距离维上展现距离扩展形式。针对复合高斯杂波下现有距离扩展目标检测方法对杂波纹理分量信息利用不足的问题,在未知协方差矩阵结构的复合高斯杂波背景下,将纹理分量建模为逆Gamma分布,进而研究了雷达距离扩展目标自适应子空间检测方法。根据两步法设计策略和不同统计检验理论,构建了三种自适应子空间检测器。首先,在杂波纹理分量和协方差矩阵结构已知的条件下,基于Rao检验、Wald检验和Gradient检验,推导了三种检测统计量。其次,通过求解未知纹理分量的最大后验估计和未知协方差矩阵结构的迭代估计,构建了距离扩展目标的三种自适应子空间检测器;其中,所提出的Rao检测器和Gradient检测器具有一致性。理论证明了所提三种检测器对未知协方差矩阵结构的渐进恒虚警率特性。仿真分析了目标散射模型、辅助数据量、杂波相关性等因素对所提检测器的性能影响;实验结果表明,针对均匀高斯环境设计的现有检测器在复合高斯环境下检测性能退化较为严重,所提检测器的检测性能均优于现有复合高斯环境下的对比检测器;其中所提出的Wald检测器略优于所提出的Rao检测器。 展开更多
关键词 复合高斯 距离扩展目标检测 Gradient检验 Rao检验 WALD检验
在线阅读 下载PDF
A Modified PRP-HS Hybrid Conjugate Gradient Algorithm for Solving Unconstrained Optimization Problems 被引量:1
6
作者 LI Xiangli WANG Zhiling LI Binglan 《应用数学》 北大核心 2025年第2期553-564,共12页
In this paper,we propose a three-term conjugate gradient method for solving unconstrained optimization problems based on the Hestenes-Stiefel(HS)conjugate gradient method and Polak-Ribiere-Polyak(PRP)conjugate gradien... In this paper,we propose a three-term conjugate gradient method for solving unconstrained optimization problems based on the Hestenes-Stiefel(HS)conjugate gradient method and Polak-Ribiere-Polyak(PRP)conjugate gradient method.Under the condition of standard Wolfe line search,the proposed search direction is the descent direction.For general nonlinear functions,the method is globally convergent.Finally,numerical results show that the proposed method is efficient. 展开更多
关键词 Conjugate gradient method Unconstrained optimization Sufficient descent condition Global convergence
在线阅读 下载PDF
基于机器学习方法预测3D打印零件的性能
7
作者 洪学银 高尚 《中国塑料》 北大核心 2025年第7期72-79,共8页
采用拉丁超立方实验设计,研究了层高、壁厚、顶底厚、顶底线条方向、填充密度、填充线条方向、打印速度、挤出温度、床温、工作空间温度10种熔融沉积建模(FDM)工艺参数对丙烯腈-丁二烯-苯乙烯共聚物(ABS)零件拉伸性能的影响,对比了人工... 采用拉丁超立方实验设计,研究了层高、壁厚、顶底厚、顶底线条方向、填充密度、填充线条方向、打印速度、挤出温度、床温、工作空间温度10种熔融沉积建模(FDM)工艺参数对丙烯腈-丁二烯-苯乙烯共聚物(ABS)零件拉伸性能的影响,对比了人工神经元网络(ANN)、随机森林(RF)和梯度提升算法(GB)3种机器学习方法预测拉伸性能的准确性。结果表明,ANN预测拉伸强度和断裂伸长率的相关系数R仅为0.883 5和0.892 4,在训练和测试数据集上,预测的均方误差(MSE)在5~10和20~24之间;RF预测的R值为0.913 6和0.924 0,MSE在3~8和15~20之间;GB预测准确性最高,R值为0.975 9和0.981 2,MSE最低,在1~4和8~10之间。在10种工艺参数中,在采用RF模型时,拉伸性能的显著影响因素为填充密度、壁厚、填充线条方向和顶底厚,在采用GB模型时,拉伸性能的显著影响因素为填充密度、壁厚、层高和填充线条方向。填充密度是影响拉伸性能最显著的因素,对GB预测结果的影响显著性达到80%左右,远大于RF模型中的40%。 展开更多
关键词 熔融沉积建模 人工神经元网络 随机森林 Gradient Boosting 拉伸性能
在线阅读 下载PDF
Absorption-Reflection-Transmission Power Coefficient Guiding Gradient Distribution of Magnetic MXene in Layered Composites for Electromagnetic Wave Absorption 被引量:3
8
作者 Yang Zhou Wen Zhang +7 位作者 Dong Pan Zhaoyang Li Bing Zhou Ming Huang Liwei Mi Chuntai Liu Yuezhan Feng Changyu Shen 《Nano-Micro Letters》 2025年第6期466-481,共16页
The morphological distribution of absorbent in composites is equally important with absorbents for the overall electromagnetic properties,but it is often ignored.Herein,a comprehensive consideration including electrom... The morphological distribution of absorbent in composites is equally important with absorbents for the overall electromagnetic properties,but it is often ignored.Herein,a comprehensive consideration including electromagnetic component regulation,layered arrangement structure,and gradient concentration distribution was used to optimize impedance matching and enhance electromagnetic loss.On the microscale,the incorporation of magnetic Ni nanoparticles into MXene nanosheets(Ni@MXene)endows suitable intrinsic permittivity and permeability.On the macroscale,the layered arrangement of Ni@MXene increases the effective interaction area with electromagnetic waves,inducing multiple reflection/scattering effects.On this basis,according to the analysis of absorption,reflection,and transmission(A-R-T)power coefficients of layered composites,the gradient concentration distribution was constructed to realize the impedance matching at low-concentration surface layer,electromagnetic loss at middle concentration interlayer and microwave reflection at high-concentration bottom layer.Consequently,the layered gradient composite(LG5-10-15)achieves complete absorption coverage of X-band at thickness of 2.00-2.20 mm with RL_(min) of-68.67 dB at 9.85 GHz in 2.05 mm,which is 199.0%,12.6%,and 50.6%higher than non-layered,layered and layered descending gradient composites,respectively.Therefore,this work confirms the importance of layered gradient structure in improving absorption performance and broadens the design of high-performance microwave absorption materials. 展开更多
关键词 Magnetic MXene Layered and gradient structure Power coefficient Electromagnetic wave absorption
在线阅读 下载PDF
Achievable dual-strategy to stabilize Li-rich layered oxide interface by a one-step wet chemical reaction towards long oxygen redox reversibility 被引量:2
9
作者 Bin He Yujie Dai +7 位作者 Shuai Jiang Dawei Chen Xilong Wang Jie Song Dan Xiao Qian Zhao Yan Meng Wei Feng 《Journal of Energy Chemistry》 2025年第2期120-131,I0004,共13页
Oxygen release and electrolyte decomposition under high voltage endlessly exacerbate interfacial ramifications and structu ral degradation of high energy-density Li-rich layered oxide(LLO),leading to voltage and capac... Oxygen release and electrolyte decomposition under high voltage endlessly exacerbate interfacial ramifications and structu ral degradation of high energy-density Li-rich layered oxide(LLO),leading to voltage and capacity fading.Herein,the dual-strategy of Cr,B complex coating and local gradient doping is simultaneously achieved on LLO surface by a one-step wet chemical reaction at room temperature.Density functional theory(DFT)calculations prove that stable B-O and Cr-O bonds through the local gradient doping can significantly reduce the high-energy O 2p states of interfacial lattice O,which is also effective for the near-surface lattice O,thus greatly stabilizing the LLO surface,Besides,differential electrochemical mass spectrometry(DEMS)indicates that the Cr_(x)B complex coating can adequately inhibit oxygen release and prevents the migration or dissolution of transition metal ions,including allowing speedy Li^(+)migration,The voltage and capacity fading of the modified cathode(LLO-C_(r)B)are adequately suppressed,which are benefited from the uniformly dense cathode electrolyte interface(CEI)composed of balanced organic/inorganic composition.Therefore,the specific capacity of LLO-CrB after 200 cycles at 1C is 209.3 mA h g^(-1)(with a retention rate of 95.1%).This dual-strategy through a one-step wet chemical reaction is expected to be applied in the design and development of other anionic redox cathode materials. 展开更多
关键词 Lithium-rich layered oxide cathode One-step wet chemical reaction Surface coating Local gradient doping Interfacial oxygen
在线阅读 下载PDF
Elements gradient doping in Mn-based Li-rich layered oxides for long-life lithium-ion batteries 被引量:2
10
作者 Yinzhong Wang Shiqi Liu +7 位作者 Xianwei Guo Boya Wang Qinghua Zhang Yuqiang Li Yulong Wang Guoqing Wang Lin Gu Haijun Yu 《Journal of Materials Science & Technology》 2025年第4期266-273,共8页
The cobalt-free Mn-based Li-rich layered oxide material has the advantages of low cost,high energy density,and good performance at low temperatures,and is the promising choice for energy storage batteries.However,the ... The cobalt-free Mn-based Li-rich layered oxide material has the advantages of low cost,high energy density,and good performance at low temperatures,and is the promising choice for energy storage batteries.However,the long-cycling stability of batteries needs to be improved.Herein,the Mn-based Li-rich cathode materials with small amounts of Li2 MnO3 crystal domains and gradient doping of Al and Ti elements from the surface to the bulk have been developed to improve the structure and interface stability.Then the batteries with a high energy density of 600 Wh kg^(-1),excellent capacity retention of 99.7%with low voltage decay of 0.03 mV cycle^(-1) after 800 cycles,and good rates performances can be achieved.Therefore,the structure and cycling stability of low voltage Mn-based Li-rich cathode materials can be significantly improved by the bulk structure design and interface regulation,and this work has paved the way for developing low-cost and high-energy Mn-based energy storage batteries with long lifetime. 展开更多
关键词 Mn-based Li-rich layered oxide cathode Li_(2)MnO_(3)crystal domain Elemental gradient Lithium-ion batteries Energy storage
原文传递
Progress in Flexoelectric Effect Research and Related Applications 被引量:1
11
作者 Pengwen Guo Mengmeng Jia +3 位作者 Di Guo Tianling Ren Zhong Lin Wang Junyi Zhai 《SmartSys》 2025年第1期39-46,共8页
The flexoelectric effect refers to the electromechanical coupling between electric polarization and mechanical strain gradient.It universally exists in a variety of materials in any space group,such as liquid crystals... The flexoelectric effect refers to the electromechanical coupling between electric polarization and mechanical strain gradient.It universally exists in a variety of materials in any space group,such as liquid crystals,dielectrics,biological materials,and semiconductors.Because of its unique size effect,nanoscale flexoelectricity has shown novel phenomena and promising applications in electronics,optronics,mechatronics,and photovoltaics.In this review,we provide a succinct report on the discovery and development of the flexoelectric effect,focusing on flexoelectric materials and related applications.Finally,we discuss recent flexoelectric research progress and still‐unsolved problems. 展开更多
关键词 electric polarization flexoelectric effect flexotronics size effect strain gradient
在线阅读 下载PDF
Distribution,species richness,and relative importance of different plant life forms across drylands in China 被引量:1
12
作者 Shuran Yao Weigang Hu +16 位作者 Mingfei Ji Abraham Allan Degen Qiajun Du Muhammad Adnan Akram Yuan Sun Ying Sun Yan Deng Longwei Dong Haiyang Gong Qingqing Hou Shubin Xie Xiaoting Wang Jinzhi Ran Bernhard Schmid Qinfeng Guo Karl J.Niklas Jianming Deng 《Plant Diversity》 2025年第2期273-281,共9页
Studies on plant diversity are usually based on the total number of species in a community.However,few studies have examined species richness(SR)of different plant life forms in a community along largescale environmen... Studies on plant diversity are usually based on the total number of species in a community.However,few studies have examined species richness(SR)of different plant life forms in a community along largescale environmental gradients.Particularly,the relative importance(RIV)of different plant life forms in a community and how they vary with environmental variables are still unclear.To fill these gaps,we determined plant diversity of ephemeral plants,annual herbs,perennial herbs,and woody plants from 187 sites across drylands in China.The SR patterns of herbaceous plants,especially perennial herbs,and their RIV in plant communities increased with increasing precipitation and soil nutrient content;however,the RIV of annual herbs was not altered along these gradients.The SR and RIV of ephemeral plants were affected mainly by precipitation seasonality.The SR of woody plants had a unimodal relationship with air temperature and exhibited the highest RIV and SR percentage in plant communities under the harshest environments.An obvious shift emerged in plant community composition,SR and their critical impact factors at 238.5 mm of mean annual precipitation(MAP).In mesic regions(>238.5 mm),herbs were the dominant species,and the SR displayed a relatively slow decreasing rate with increasing aridity,which was mediated mainly by MAP and soil nutrients.In arid regions(<238.5 mm),woody plants were the dominant species,and the SR displayed a relatively fast decreasing rate with increasing aridity,which was mediated mainly by climate variables,especially precipitation.Our findings highlight the importance of comparative life form studies in community structure and biodiversity,as their responses to gradients differed substantially on a large scale. 展开更多
关键词 DRYLANDS Environmental gradients Plant life forms Relative importance Species richness THRESHOLD
在线阅读 下载PDF
Trends in alpha diversity,community composition,and network complexity of rare,intermediate,and abundant bacterial taxa along a latitudinal gradient and their impact on ecosystem multifunctionality 被引量:1
13
作者 Rong Tang Shuaifeng Li +3 位作者 Xiaobo Huang Rui Zhang Cong Li Jianrong Su 《Forest Ecosystems》 2025年第4期642-654,共13页
Soil microbial communities are key factors in maintaining ecosystem multifunctionality(EMF).However,the distribution patterns of bacterial diversity and how the different bacterial taxa and their diversity dimensions ... Soil microbial communities are key factors in maintaining ecosystem multifunctionality(EMF).However,the distribution patterns of bacterial diversity and how the different bacterial taxa and their diversity dimensions affect EMF remain largely unknown.Here,we investigated variation in three measures of diversity(alpha diversity,community composition and network complexity)among rare,intermediate,and abundant taxa across a latitudinal gradient spanning five forest plots in Yunnan Province,China and examined their contributions on EMF.We aimed to characterize the diversity distributions of bacterial groups across latitudes and to assess the differences in the mechanisms underlying their contributions to EMF.We found that multifaceted diversity(i.e.,diversity assessed by the three different metrics)of rare,intermediate,and abundant bacteria generally decreased with increasing latitude.More importantly,we found that rare bacterial taxa tended to be more diverse,but they contributed less to EMF than intermediate or abundant bacteria.Among the three dimensions of diversity we assessed,only community composition significantly affected EMF across all locations,while alpha diversity had a negative effect,and network complexity showed no significant impact.Our study further emphasizes the importance of intermediate and abundant bacterial taxa as well as community composition to EMF and provides a theoretical basis for investigating the mechanisms by which belowground microorganisms drive EMF along a latitudinal gradient. 展开更多
关键词 BACTERIA Ecosystem multifunctionality Alpha diversity Community composition Network complexity Latitudinal gradient
在线阅读 下载PDF
CNN-ALSTM Soft-Sensing Model for Resistivity Gradient in CZ Monocrystalline Silicon Wafers 被引量:1
14
作者 Zhiheng Zhang Zengguo Tian 《Instrumentation》 2025年第2期71-79,共9页
This study addresses the challenge of real-time resistivity gradient measurement in the Czochralski(CZ)silicon production process.Due to the inability to directly measure this parameter,we propose a Long Short-Term Me... This study addresses the challenge of real-time resistivity gradient measurement in the Czochralski(CZ)silicon production process.Due to the inability to directly measure this parameter,we propose a Long Short-Term Memory soft-sensing model based on Convolutional Neural Network(CNN)and attention mechanism(CNN-ALSTM)that enhances traditional LSTM by integrating CNN and attention mechanism to overcome time lag variations during silicon pulling.The CNN module extracts spatial features from multi-source sensor data,while the attention-enhanced LSTM(ALSTM)dynamically adjusts historical parameter weights,enabling accurate resistivity gradient prediction.Experiments with real production data show that CNN-ALSTM outperforms SVR,FNN,RNN,XGBoost,and GRU,improving prediction accuracy by 11.76%,16.67%,21.05%,30.23%,and 9.09%,respectively.This soft-sensing approach enhances real-time monitoring and optimization of monocrystalline silicon growth. 展开更多
关键词 CZ monocrystalline silicon soft-sensing model CNN-ALSTM resistivity gradient
原文传递
In silico prediction of pK_(a) values using explainable deep learning methods 被引量:1
15
作者 Chen Yang Changda Gong +4 位作者 Zhixing Zhang Jiaojiao Fang Weihua Li Guixia Liu Yun Tang 《Journal of Pharmaceutical Analysis》 2025年第6期1264-1276,共13页
Negative logarithm of the acid dissociation constant(pK_(a))significantly influences the absorption,dis-tribution,metabolism,excretion,and toxicity(ADMET)properties of molecules and is a crucial indicator in drug rese... Negative logarithm of the acid dissociation constant(pK_(a))significantly influences the absorption,dis-tribution,metabolism,excretion,and toxicity(ADMET)properties of molecules and is a crucial indicator in drug research.Given the rapid and accurate characteristics of computational methods,their role in predicting drug properties is increasingly important.Although many pK_(a) prediction models currently exist,they often focus on enhancing model precision while neglecting interpretability.In this study,we present GraFpKa,a pK_(a) prediction model using graph neural networks(GNNs)and molecular finger-prints.The results show that our acidic and basic models achieved mean absolute errors(MAEs)of 0.621 and 0.402,respectively,on the test set,demonstrating good predictive performance.Notably,to improve interpretability,GraFpKa also incorporates Integrated Gradients(IGs),providing a clearer visual description of the atoms significantly affecting the pK_(a) values.The high reliability and interpretability of GraFpKa ensure accurate pKa predictions while also facilitating a deeper understanding of the relation-ship between molecular structure and pK_(a) values,making it a valuable tool in the field of pK_(a) prediction. 展开更多
关键词 pK_(a) Deep learning Graph neural networks AttentiveFP Integrated gradients In silico prediction
在线阅读 下载PDF
An optimization framework for hot-rolled strip crown control based on model-driven digital twin 被引量:1
16
作者 Fen-jia Wang Chao Liu +6 位作者 An-rui He Yong Song Jian Shao Chi-huan Yao Yi Qiang Hong-yan Liu Bo Ma 《Journal of Iron and Steel Research International》 2025年第7期1920-1939,共20页
Accurate crown control is paramount for ensuring the quality of hot-rolled strip products.Given the multitude of influencing parameters and the intricate coupling and genetic relationships among them,the conventional ... Accurate crown control is paramount for ensuring the quality of hot-rolled strip products.Given the multitude of influencing parameters and the intricate coupling and genetic relationships among them,the conventional crown control method is no longer sufficient to meet the precision requirements of schedule-free rolling.To address this limitation,an optimization framework for hot-rolled strip crown control was developed based on model-driven digital twin(MDDT).This framework enhances the strip crown control precision by facilitating collaborative operations among physical entities,virtual models,and functional application layers.In virtual modeling,a data-driven approach that integrates the extreme gradient boosting and the improved Harris hawk optimization algorithm was firstly proposed to fit the relationship between key process parameters and strip crown,and a global-local collaborative training strategy was proposed to enhance the model adaptability to diverse working conditions.Subsequently,the influence of crucial process factors on the virtual model was examined through model responses.Furthermore,a novel optimization mode for crown control based on MDDT was established by aligning and reconstructing both the physical and virtual models,thereby enhancing the crown control precision.Finally,data trials were conducted to validate the effectiveness of the proposed framework.The results indicated that the proposed method exhibited satisfactory performance and could be effectively utilized to improve the crown control precision. 展开更多
关键词 Hot-rolled strip Crown control Machine learning Digital twin Extreme gradient boosting
原文传递
Role of immature granulocyte and blood biomarkers in predicting perforated acute appendicitis using machine learning model 被引量:1
17
作者 Zeynep Kucukakcali Sami Akbulut 《World Journal of Clinical Cases》 2025年第22期25-37,共13页
BACKGROUND Acute appendicitis(AAp)is a prevalent medical condition characterized by inflammation of the appendix that frequently necessitates urgent surgical procedures.Approximately two-thirds of patients with AAp ex... BACKGROUND Acute appendicitis(AAp)is a prevalent medical condition characterized by inflammation of the appendix that frequently necessitates urgent surgical procedures.Approximately two-thirds of patients with AAp exhibit characteristic signs and symptoms;hence,negative AAp and complicated AAp are the primary concerns in research on AAp.In other terms,further investigations and algorithms are required for at least one third of patients to predict the clinical condition and distinguish them from uncomplicated patients with AAp.AIM To use a Stochastic Gradient Boosting(SGB)-based machine learning(ML)algorithm to tell the difference between AAp patients who are complicated and those who are not,and to find some important biomarkers for both types of AAp by using modeling to get variable importance values.METHODS This study analyzed an open access data set containing 140 people,including 41 healthy controls,65 individuals with uncomplicated AAp,and 34 individuals with complicated AAp.We analyzed some demographic data(age,sex)of the patients and the following biochemical blood parameters:White blood cell(WBC)count,neutrophils,lymphocytes,monocytes,platelet count,neutrophil-tolymphocyte ratio,lymphocyte-to-monocyte ratio,mean platelet volume,neutrophil-to-immature granulocyte ratio,ferritin,total bilirubin,immature granulocyte count,immature granulocyte percent,and neutrophil-to-immature granulocyte ratio.We tested the SGB model using n-fold cross-validation.It was implemented with an 80-20 training-test split.We used variable importance values to identify the variables that were most effective on the target.RESULTS The SGB model demonstrated excellent performance in distinguishing AAp from control patients with an accuracy of 96.3%,a micro aera under the curve(AUC)of 94.7%,a sensitivity of 94.7%,and a specificity of 100%.In distinguishing complicated AAp patients from uncomplicated ones,the model achieved an accuracy of 78.9%,a micro AUC of 79%,a sensitivity of 83.3%,and a specificity of 76.9%.The most useful biomarkers for confirming the AA diagnosis were WBC(100%),neutrophils(95.14%),and the lymphocyte-monocyte ratio(76.05%).On the other hand,the most useful biomarkers for accurate diagnosis of complicated AAp were total bilirubin(100%),WBC(96.90%),and the neutrophil-immature granulocytes ratio(64.05%).CONCLUSION The SGB model achieved high accuracy rates in identifying AAp patients while it showed moderate performance in distinguishing complicated AAp patients from uncomplicated AAp patients.Although the model's accuracy in the classification of complicated AAp is moderate,the high variable importance obtained is clinically significant.We need further prospective validation studies,but the integration of such ML algorithms into clinical practice may improve diagnostic processes. 展开更多
关键词 Acute appendicitis Complicated acute appendicitis Machine learning Stochastic gradient boosting
暂未订购
The global lithospheric field modeling based on MSS-1 and other satellites' gradient data 被引量:1
18
作者 YuXuan Lin Yan Feng +2 位作者 JiaXuan Zhang XinWu Li Ya Huang 《Earth and Planetary Physics》 2025年第3期677-685,共9页
We combine gradient data from the Macao Science Satellite-1(MSS-1),CHAllenging Minisatellite Payload(CHAMP),Swarm-A,and Swarm-C satellites to develop a 110-degree lithospheric magnetic field model.We then comprehensiv... We combine gradient data from the Macao Science Satellite-1(MSS-1),CHAllenging Minisatellite Payload(CHAMP),Swarm-A,and Swarm-C satellites to develop a 110-degree lithospheric magnetic field model.We then comprehensively evaluate the performance of the model by power spectral comparisons,correlation analyses,sensitivity matrix assessments,and comparisons with existing lithospheric field models.Results showed that using near east–west gradient data from MSS-1 significantly enhances the model correlation in the spherical harmonic degree(N) range of 45–60 while also mitigating the decline in correlation at higher degrees(N > 60).Furthermore,the unique orbital characteristics of MSS-1 enable its gradient data to provide substantial contributions to modeling in the mid-to low-latitude regions.With continued data acquisition from MSS-1 and further optimization of data processing methods,the performance of the model is expected to improve. 展开更多
关键词 lithospheric magnetic field Macao Science Satellite-1 gradient data LCS-1
在线阅读 下载PDF
Galerkin-Vlasov approach for bending analysis of flexoelectric doubly-curved sandwich nanoshells with piezoelectric/FGP/piezoelectric layers using the nonlocal strain theory 被引量:1
19
作者 Tran Van Ke Do Van Thom +2 位作者 Nguyen Thai Dung Nguyen Van Chinh Phung Van Minh 《Acta Mechanica Sinica》 2025年第2期7-40,共34页
Flexoelectricity refers to the link between electrical polarization and strain gradient fields in piezoelectric materials,particularly at the nano-scale.The present investigation aims to comprehensively focus on the s... Flexoelectricity refers to the link between electrical polarization and strain gradient fields in piezoelectric materials,particularly at the nano-scale.The present investigation aims to comprehensively focus on the static bending analysis of a piezoelectric sandwich functionally graded porous(FGP)double-curved shallow nanoshell based on the flexoelectric effect and nonlocal strain gradient theory.Two coefficients that reduce or increase the stiffness of the nanoshell,including nonlocal and length-scale parameters,are considered to change along the nanoshell thickness direction,and three different porosity rules are novel points in this study.The nanoshell structure is placed on a Pasternak elastic foundation and is made up of three separate layers of material.The outermost layers consist of piezoelectric smart material with flexoelectric effects,while the core layer is composed of FGP material.Hamilton’s principle was used in conjunction with a unique refined higher-order shear deformation theory to derive general equilibrium equations that provide more precise outcomes.The Navier and Galerkin-Vlasov methodology is used to get the static bending characteristics of nanoshells that have various boundary conditions.The program’s correctness is assessed by comparison with published dependable findings in specific instances of the model described in the article.In addition,the influence of parameters such as flexoelectric effect,nonlocal and length scale parameters,elastic foundation stiffness coefficient,porosity coefficient,and boundary conditions on the static bending response of the nanoshell is detected and comprehensively studied.The findings of this study have practical implications for the efficient design and control of comparable systems,such as micro-electromechanical and nano-electromechanical devices. 展开更多
关键词 Analytical solution Flexoelectric effect Nonlocal strain gradient theory Static bending of nanoshell
原文传递
Enhanced rolling contact fatigue property of a rare earth addition bearing steel with a gradient nanostructured surface layer 被引量:1
20
作者 G.S.Dong B.Gao +1 位作者 C.Y.Yang Z.B.Wang 《Journal of Materials Science & Technology》 2025年第8期267-277,共11页
Rolling contact fatigue performance is among the most important issues for applications of bearing steels.In this work,a recently developed surface modification technique,surface mechanical rolling treatment,was appli... Rolling contact fatigue performance is among the most important issues for applications of bearing steels.In this work,a recently developed surface modification technique,surface mechanical rolling treatment,was applied on a rare-earth addition bearing steel.And rolling contact fatigue behavior of treated samples was compared with that of as-received counterparts at different contacting stresses.The results demonstrated that a 700μm-thick gradient nanostructured surface layer is produced on samples by surface mechanical rolling treatment.The grain size decreases while the microhardness increases gradually with decreasing depth,reaching~23 nm and~10.2 GPa,respectively,at the top surface.Consequently,the rolling contact fatigue property is significantly enhanced.The characteristic life of treated samples is~3.2 times that of untreated counterparts according to Weibull curves at 5.6 GPa.Analyses of fatigue mechanisms demonstrated that the gradient nanostructured surface layer might not only retard material degradation and microcrack formation,but also prolong the steady-state elastic response stage under rolling contact fatigue. 展开更多
关键词 Rare earth addition bearing steel Surface mechanical rolling treatment Rolling contact fatigue Gradient nanostructured MICROCRACK
原文传递
上一页 1 2 168 下一页 到第
使用帮助 返回顶部