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Recent advances in directing group assisted transition metal catalyzed para-selective C-H functionalization
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作者 Wei-Bin Li Xiao-Chao Huang +2 位作者 Pei Liu Jie Kong Guo-Ping Yang 《Chinese Chemical Letters》 2025年第6期68-77,共10页
The transition metal-catalyzed C–H activation have been considered as increasingly useful approach for installing new functional groups onto organic small molecules due to their high step-and atom-economy,the abundan... The transition metal-catalyzed C–H activation have been considered as increasingly useful approach for installing new functional groups onto organic small molecules due to their high step-and atom-economy,the abundance of hydrocarbon compounds,and the potential for late-stage functionalization of complex organic molecules.The ortho-and meta-C-H activation and functionalization of aromatic compounds have been widely explored in recent years,however the distal para-C-H activation and functionalization has remained a significant challenge because of the difficulty in forming energetically favorable metallacyclic transition states.The utilization of appropriate directing groups or templates as well as the meticulous design of catalysts and ligands has proven to be effective in transition-metal-catalyzed remote para-C-H bonds activation and functionalization of aromatic compounds.This review aims to summarize the strategies for controlling para-selective C–H functionalization using the directing group,template engineering,and catalyst/ligand design under transition metals catalysis in recent years. 展开更多
关键词 C-H activation Transition metal catalysis selectIVITY Remote functionalization Directing group
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Structural failure analysis with CMS-based ground motion selection using innovative cost function and weight factors
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作者 Delbaz Samadian Imrose B.Muhit Nashwan Dawood 《Earthquake Engineering and Engineering Vibration》 SCIE EI CSCD 2024年第4期899-918,共20页
The selection and scaling of ground motion records is considered a primary and essential task in performing structural analysis and design.Conventional methods involve using ground motion models and a conditional spec... The selection and scaling of ground motion records is considered a primary and essential task in performing structural analysis and design.Conventional methods involve using ground motion models and a conditional spectrum to select ground motion records based on the target spectrum.This research demonstrates the influence of adopting different weighted factors for various period ranges during matching selected ground motions with the target hazard spectrum.The event data from the Next Generation Attenuation West 2(NGA-West 2)database is used as the basis for ground motion selection,and hazard de-aggregation is conducted to estimate the event parameters of interest,which are then used to construct the target intensity measure(IM).The target IMs are then used to select ground motion records with different weighted vector-valued objective functions.The weights are altered to account for the relative importance of IM in accordance with the structural analysis application of steel moment resisting frame(SMRF)buildings.Instead of an ordinary objective function for the matching spectrum,a novel model is introduced and compared with the conventional cost function.The results indicate that when applying the new cost function for ground motion selection,it places higher demands on structures compared to the conventional cost function.Moreover,submitting more weights to the first-mode period of structures increases engineering demand parameters.Findings demonstrate that weight factors allocated to different period ranges can successfully account for period elongation and higher mode effects. 展开更多
关键词 weighted objective function ground motion selection steel moment resisting frame hazard analysis
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RBF-based cluster-head selection for wireless sensor networks 被引量:2
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作者 朱晓荣 沈连丰 《Journal of Southeast University(English Edition)》 EI CAS 2006年第4期451-455,共5页
The radial basis function (RBF), a kind of neural networks algorithm, is adopted to select clusterheads. It has many advantages such as simple parallel distributed computation, distributed storage, and fast learning... The radial basis function (RBF), a kind of neural networks algorithm, is adopted to select clusterheads. It has many advantages such as simple parallel distributed computation, distributed storage, and fast learning. Four factors related to a node becoming a cluster-head are drawn by analysis, which are energy ( energy available in each node), number (the number of neighboring nodes), centrality ( a value to classify the nodes based on the proximity how central the node is to the cluster), and location (the distance between the base station and the node). The factors are as input variables of neural networks and the output variable is suitability that is the degree of a node becoming a cluster head. A group of cluster-heads are selected according to the size of network. Then the base station broadcasts a message containing the list of cluster-heads' IDs to all nodes. After that, each cluster-head announces its new status to all its neighbors and sets up a new cluster. If a node around it receives the message, it registers itself to be a member of the cluster. After identifying all the members, the cluster-head manages them and carries out data aggregation in each cluster. Thus data flowing in the network decreases and energy consumption of nodes decreases accordingly. Experimental results show that, compared with other algorithms, the proposed algorithm can significantly increase the lifetime of the sensor network. 展开更多
关键词 sensor networks radial basis function cluster-head selection
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Design of dual-functional protic porous ionic liquids for boosting selective extractive desulfurization 被引量:2
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作者 Jin-Rui Zhang Jie Yin +6 位作者 Jing He Hong-Shun Ran Wei Jiang Hong-Ping Li Wen-Shuai Zhu Hua-Ming Li Ming Zhang 《Petroleum Science》 SCIE EI CAS CSCD 2024年第4期2817-2829,共13页
Porous ionic liquids have demonstrated excellent performance in the field of separation,attributed to their high specific surface area and efficient mass transfer.Herein,task-specific protic porous ionic liquids(PPILs... Porous ionic liquids have demonstrated excellent performance in the field of separation,attributed to their high specific surface area and efficient mass transfer.Herein,task-specific protic porous ionic liquids(PPILs)were prepared by employing a novel one-step coupling neutralization reaction strategy for extractive desulfurization.The single-extraction efficiency of PPILs reached 75.0%for dibenzothiophene.Moreover,adding aromatic hydrocarbon interferents resulted in a slight decrease in the extraction efficiency of PPILs(from 45.2%to 37.3%,37.9%,and 33.5%),indicating the excellent extraction selectivity of PPILs.The experimental measurements and density functional theory calculations reveal that the surface channels of porous structures can selectively capture dibenzothiophene by the stronger electrophilicity(Eint(HS surface channel/DBT)=-39.8 kcal mol^(-1)),and the multiple extraction sites of ion pairs can effectively enrich and transport dibenzothiophene from the oil phase into PPILs throughπ...π,C-H...πand hydrogen bonds interactions.Furthermore,this straightforward synthetic strategy can be employed in preparing porous liquids,offering new possibilities for synthesizing PPILs with tailored functionalities. 展开更多
关键词 Protic porous ionic liquids Extractive desulfurization selectIVITY Density functional theory
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Model Selection in Estimation of Covariance Functions for Growth of Angora Goats 被引量:2
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作者 LIU Wen-zhong ZHANG Yuan ZHOU Zhong-xiao 《Agricultural Sciences in China》 CAS CSCD 2010年第7期1041-1049,共9页
Covariance functions have been proposed as an alternative to model longitudinal data in animal breeding because of their various merits in comparison to the classical analytical methods.In practical estimation,differe... Covariance functions have been proposed as an alternative to model longitudinal data in animal breeding because of their various merits in comparison to the classical analytical methods.In practical estimation,different models and polynomial orders fitted can influence the estimates of covariance functions and thus genetic parameters.The objective of this study was to select model for estimation of covariance functions for body weights of Angora goats at 7 time points.Covariance functions were estimated by fitting 6 random regression models with birth year,birth month,sex,age of dam,birth type,and relative birth date as fixed effects.Random effects involved were direct and maternal additive genetic,and animal and maternal permanent environmental effects with different orders of fit.Selection of model and orders of fit were carried out by likelihood ratio test and 4 types of information criteria.The results showed that model with 6 orders of polynomial fit for direct additive genetic and animal permanent environmental effects and 4 and 5 orders for maternal genetic and permanent environmental effects,respectively,were preferable for estimation of covariance functions.Models with and without maternal effects influenced the estimates of covariance functions greatly.Maternal permanent environmental effect does not explain the variation of all permanent environments,well suggesting different sources of permanent environmental effects also has large influence on covariance function estimates. 展开更多
关键词 Angora goats GROWTH covariance function model selection random regression model
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Dipper Throated Optimization Algorithm for Unconstrained Function and Feature Selection 被引量:4
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作者 Ali E.Takieldeen El-Sayed M.El-kenawy +1 位作者 Mohammed Hadwan Rokaia M.Zaki 《Computers, Materials & Continua》 SCIE EI 2022年第7期1465-1481,共17页
Dipper throated optimization(DTO)algorithm is a novel with a very efficient metaheuristic inspired by the dipper throated bird.DTO has its unique hunting technique by performing rapid bowing movements.To show the effi... Dipper throated optimization(DTO)algorithm is a novel with a very efficient metaheuristic inspired by the dipper throated bird.DTO has its unique hunting technique by performing rapid bowing movements.To show the efficiency of the proposed algorithm,DTO is tested and compared to the algorithms of Particle Swarm Optimization(PSO),Whale Optimization Algorithm(WOA),Grey Wolf Optimizer(GWO),and Genetic Algorithm(GA)based on the seven unimodal benchmark functions.Then,ANOVA and Wilcoxon rank-sum tests are performed to confirm the effectiveness of the DTO compared to other optimization techniques.Additionally,to demonstrate the proposed algorithm’s suitability for solving complex realworld issues,DTO is used to solve the feature selection problem.The strategy of using DTOs as feature selection is evaluated using commonly used data sets from the University of California at Irvine(UCI)repository.The findings indicate that the DTO outperforms all other algorithms in addressing feature selection issues,demonstrating the proposed algorithm’s capabilities to solve complex real-world situations. 展开更多
关键词 Metaheuristic optimization swarmoptimization feature selection function optimization
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A Feature Selection Method Based on Hybrid Dung Beetle Optimization Algorithm and Slap Swarm Algorithm
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作者 Wei Liu Tengteng Ren 《Computers, Materials & Continua》 SCIE EI 2024年第8期2979-3000,共22页
Feature Selection(FS)is a key pre-processing step in pattern recognition and data mining tasks,which can effectively avoid the impact of irrelevant and redundant features on the performance of classification models.In... Feature Selection(FS)is a key pre-processing step in pattern recognition and data mining tasks,which can effectively avoid the impact of irrelevant and redundant features on the performance of classification models.In recent years,meta-heuristic algorithms have been widely used in FS problems,so a Hybrid Binary Chaotic Salp Swarm Dung Beetle Optimization(HBCSSDBO)algorithm is proposed in this paper to improve the effect of FS.In this hybrid algorithm,the original continuous optimization algorithm is converted into binary form by the S-type transfer function and applied to the FS problem.By combining the K nearest neighbor(KNN)classifier,the comparative experiments for FS are carried out between the proposed method and four advanced meta-heuristic algorithms on 16 UCI(University of California,Irvine)datasets.Seven evaluation metrics such as average adaptation,average prediction accuracy,and average running time are chosen to judge and compare the algorithms.The selected dataset is also discussed by categorizing it into three dimensions:high,medium,and low dimensions.Experimental results show that the HBCSSDBO feature selection method has the ability to obtain a good subset of features while maintaining high classification accuracy,shows better optimization performance.In addition,the results of statistical tests confirm the significant validity of the method. 展开更多
关键词 Feature selection dung beetle optimization KNN transfer function HBCSSDBO
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Developing selective PI3K degraders to modulate both kinase and non-kinase functions
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作者 Zimo Yang Yan Tong +4 位作者 Yongbo Liu Qianlong Liu Zhihao Ni Yuna He Yu Rao 《Chinese Chemical Letters》 SCIE CAS CSCD 2024年第11期384-388,共5页
For the first time,proteolysis-targeting chimeras(PROTAC)technology was utilized to achieve the isoform-selective degradation of class I phosphoinositide 3-kinases(PI3Ks)in this study.Through screening and optimizatio... For the first time,proteolysis-targeting chimeras(PROTAC)technology was utilized to achieve the isoform-selective degradation of class I phosphoinositide 3-kinases(PI3Ks)in this study.Through screening and optimization,the PROTAC molecule ZM-PI05 was identified as a selective degrader of p110αin multiple breast cancer cells.More importantly,the degrader can down-regulate p85 regulatory subunit simultaneously,thereby inhibiting the non-enzymatic functions of PI3K that are independent on p110catalytic subunits.Therefore,compared with PI3K inhibitor copanlisib,ZM-PI05 displayed the stronger anti-proliferative activity on breast cancer cells.In brief,a selective and efficient PROTAC molecule was developed to induce the degradation of p110αand concurrent reduction of p85 proteins,providing a tool compound for the biological study of PI3K-αby blocking its enzymatic and non-enzymatic functions. 展开更多
关键词 PI3K PROTAC p110 P85 selectIVITY Degradation Non-kinase functions
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Feature Selection Based on Adaptive Fuzzy Membership Functions 被引量:1
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作者 XIE Yan-Tao SANG Nong ZHANG Tian-Xu 《自动化学报》 EI CSCD 北大核心 2006年第4期496-503,共8页
Neuro-fuzzy(NF)networks are adaptive fuzzy inference systems(FIS)and have been applied to feature selection by some researchers.However,their rule number will grow exponentially as the data dimension increases.On the ... Neuro-fuzzy(NF)networks are adaptive fuzzy inference systems(FIS)and have been applied to feature selection by some researchers.However,their rule number will grow exponentially as the data dimension increases.On the other hand,feature selection algorithms with artificial neural networks(ANN)usually require normalization of input data,which will probably change some characteristics of original data that are important for classification.To overcome the problems mentioned above,this paper combines the fuzzification layer of the neuro-fuzzy system with the multi-layer perceptron(MLP)to form a new artificial neural network.Furthermore,fuzzification strategy and feature measurement based on membership space are proposed for feature selection. Finally,experiments with both natural and artificial data are carried out to compare with other methods,and the results approve the validity of the algorithm. 展开更多
关键词 Membership function feature selection architecture pruning artificial neural networks
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A Note on the Selection Expectation and Support Function
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作者 Rigao He 《Advances in Pure Mathematics》 2015年第10期583-586,共4页
In this paper, we prove the relationship between selection expectation and support function by a new method.
关键词 Support function HAUSDORFF METRIC RANDOM Set selection EXPECTATION
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Functions, Selection and Collocation of Greening Plants in the Construction of Ecological Roads
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作者 LI Gen YANG Qingyuan +2 位作者 HE Jian MU Weidong LUO Ming 《Journal of Landscape Research》 2016年第3期13-16,共4页
From the perspective of ecological construction of roads, the reduction and purifying effects of greening plants on noise, raising dust and automobile exhaust, selection principles of arbors, shrubs, ground cover plan... From the perspective of ecological construction of roads, the reduction and purifying effects of greening plants on noise, raising dust and automobile exhaust, selection principles of arbors, shrubs, ground cover plants and herbaceous fl owers, and the methods of collocating arbors shrubs and grass in the construction of ecological roads were discussed in this study. 展开更多
关键词 Ecological roads Greening plants functionS selection COLLOCATION
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A Comprehensive Price Prediction System Based on Inverse Multiquadrics Radial Basis Function for Portfolio Selection
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作者 Mengmeng Zheng 《Applied Mathematics》 2021年第12期1189-1209,共21页
Price prediction plays a crucial role in portfolio selection (PS). However, most price prediction strategies only make a single prediction and do not have efficient mechanisms to make a comprehensive price prediction.... Price prediction plays a crucial role in portfolio selection (PS). However, most price prediction strategies only make a single prediction and do not have efficient mechanisms to make a comprehensive price prediction. Here, we propose a comprehensive price prediction (CPP) system based on inverse multiquadrics (IMQ) radial basis function. First, the novel radial basis function (RBF) system based on IMQ function rather than traditional Gaussian (GA) function is proposed and centers on multiple price prediction strategies, aiming at improving the efficiency and robustness of price prediction. Under the novel RBF system, we then create a portfolio update strategy based on kernel and trace operator. To assess the system performance, extensive experiments are performed based on 4 data sets from different real-world financial markets. Interestingly, the experimental results reveal that the novel RBF system effectively realizes the integration of different strategies and CPP system outperforms other systems in investing performance and risk control, even considering a certain degree of transaction costs. Besides, CPP can calculate quickly, making it applicable for large-scale and time-limited financial market. 展开更多
关键词 Comprehensive Price Prediction Portfolio selection (PS) Inverse Multiquadrics (IMQ) Radial Basis function
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A study of connectivity features analysis in brain function network for dementia recognition
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作者 Siying Li Peng Wang +6 位作者 Zhenfeng Li Lidong Du Xianxiang Chen Jie Sun Libin Jiang Gang Cheng Zhen Fang 《Nanotechnology and Precision Engineering》 2025年第1期79-93,共15页
Dementias such as Alzheimer disease(AD)and mild cognitive impairment(MCI)lead to problems with memory,language,and daily activities resulting from damage to neurons in the brain.Given the irreversibility of this neuro... Dementias such as Alzheimer disease(AD)and mild cognitive impairment(MCI)lead to problems with memory,language,and daily activities resulting from damage to neurons in the brain.Given the irreversibility of this neuronal damage,it is crucial to find a biomarker to distinguish individuals with these diseases from healthy people.In this study,we construct a brain function network based on electroencephalography data to study changes in AD and MCI patients.Using a graph-theoretical approach,we examine connectivity features and explore their contributions to dementia recognition at edge,node,and network levels.We find that connectivity is reduced in AD and MCI patients compared with healthy controls.We also find that the edge-level features give the best performance when machine learning models are used to recognize dementia.The results of feature selection identify the top 50 ranked edge-level features constituting an optimal subset,which is mainly connected with the frontal nodes.A threshold analysis reveals that the performance of edge-level features is more sensitive to the threshold for the connection strength than that of node-and network-level features.In addition,edge-level features with a threshold of 0 provide the most effective dementia recognition.The K-nearest neighbors(KNN)machine learning model achieves the highest accuracy of 0.978 with the optimal subset when the threshold is 0.Visualization of edge-level features suggests that there are more long connections linking the frontal region with the occipital and parietal regions in AD and MCI patients compared with healthy controls.Our codes are publicly available at https://github.com/Debbie-85/eeg-connectivity. 展开更多
关键词 ELECTROENCEPHALOGRAPHY Brain function network Machine learning Feature selection Dementia recognition
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Selective Dinitrogen Capture from Coalbed Methane Using 2D Porphyrin-based Sheet with 3d Transition Metal Ion Sites:A First-principles Computational Study
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作者 LEI Guangping LU Yang CHENG Huiyuan 《Journal of Wuhan University of Technology(Materials Science)》 2025年第3期693-699,共7页
Selective dinitrogen(N_(2))capture from coalbed methane(CBM)is significant in chemical industries,but it remains a challenge because of similar physicochemical properties of N_(2) and CH_(4).Herein,the adsorption of t... Selective dinitrogen(N_(2))capture from coalbed methane(CBM)is significant in chemical industries,but it remains a challenge because of similar physicochemical properties of N_(2) and CH_(4).Herein,the adsorption of them on the 2D porphyrin sheets doped with various 3d transition metal ions(marked as MPor,M=Sc,Ti,V,Cr,Mn,Fe,Co,Ni,Cu,Zn)were comparatively investigated by using density functional theory to screen a suitable adsorbent for CBM separation.Though systematical comparison of adsorption energies of gas molecules and Gibbs free energy change the N_(2) desorption process on all MPor surfaces,FePor is confirmed to be a promising adsorbent because of its undemanding regeneration conditions and modest chemical bonding state with N_(2) molecule.Further mechanism analysis reveals that the charge transferred from lone pair of N_(2) molecule to d_(z2)orbital of Fe ion and back-donated from d_(xz)and d_(yz)orbitals of Fe ion to the unoccupiedπ*orbital of N_(2) molecule.Such hybridization of orbitals improves the selective adsorption of N_(2) from CBM. 展开更多
关键词 coalbed methane selective dinitrogen capture metal-doped porphyrin density functional theory
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Machine Learning-Based Detection and Selective Mitigation of Denial-of-Service Attacks in Wireless Sensor Networks
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作者 Soyoung Joo So-Hyun Park +2 位作者 Hye-Yeon Shim Ye-Sol Oh Il-Gu Lee 《Computers, Materials & Continua》 2025年第2期2475-2494,共20页
As the density of wireless networks increases globally, the vulnerability of overlapped dense wireless communications to interference by hidden nodes and denial-of-service (DoS) attacks is becoming more apparent. Ther... As the density of wireless networks increases globally, the vulnerability of overlapped dense wireless communications to interference by hidden nodes and denial-of-service (DoS) attacks is becoming more apparent. There exists a gap in research on the detection and response to attacks on Medium Access Control (MAC) mechanisms themselves, which would lead to service outages between nodes. Classifying exploitation and deceptive jamming attacks on control mechanisms is particularly challengingdue to their resemblance to normal heavy communication patterns. Accordingly, this paper proposes a machine learning-based selective attack mitigation model that detects DoS attacks on wireless networks by monitoring packet log data. Based on the type of detected attack, it implements effective corresponding mitigation techniques to restore performance to nodes whose availability has been compromised. Experimental results reveal that the accuracy of the proposed model is 14% higher than that of a baseline anomaly detection model. Further, the appropriate mitigation techniques selected by the proposed system based on the attack type improve the average throughput by more than 440% compared to the case without a response. 展开更多
关键词 Distributed coordinated function mechanism jamming attack machine learning-based attack detection selective attack mitigation model selective attack mitigation model selfish attack
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Interface microstructure and mechanical properties of selective laser melted multilayer functionally graded materials 被引量:7
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作者 WANG Di DENG Guo-wei +4 位作者 YANG Yong-qiang CHEN Jie WU Wei-hui WANG Hao-liang TAN Chao-lin 《Journal of Central South University》 SCIE EI CAS CSCD 2021年第4期1155-1169,共15页
Functionally graded material(FGM)can tailor properties of components such as wear resistance,corrosion resistance,and functionality to enhance the overall performance.The selective laser melting(SLM)additive manufactu... Functionally graded material(FGM)can tailor properties of components such as wear resistance,corrosion resistance,and functionality to enhance the overall performance.The selective laser melting(SLM)additive manufacturing highlights the capability in manufacturing FGMs with a high geometrical complexity and manufacture flexibility.In this work,the 316L/CuSn10/18Ni300/CoCr four-type materials FGMs were fabricated using SLM.The microstructure and properties of the FGMs were investigated to reveal the effects of SLM processing parameters on the defects.A large number of microcracks were found at the 316L/CuSn10 interface,which initiated from the fusion boundary of 316L region and extended along the building direction.The elastic modulus and nano-hardness in the 18Ni300/CoCr fusion zone decreased significantly,less than those in the 18Ni300 region or the CoCr region.The iron and copper elements were well diffused in the 316L/CuSn10 fusion zone,while elements in the CuSn10/18Ni300 and the 18Ni300/CoCr fusion zones showed significantly gradient transitions.Compared with other regions,the width of the CuSn10/18Ni300 interface and the CuSn10 region expand significantly.The mechanisms of materials fusion and crack generation at the 316L/CuSn10 interface were discussed.In addition,FGM structures without macro-crack were built by only altering the deposition subsequence of 316L and CuSn10,which provides a guide for the additive manufacturing of FGM structures. 展开更多
关键词 selective laser melting multilayer functionally graded material interfacial characterization crack defects mechanical properties
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Selective removal of heavy metal ions from aqueous solutions with surface functionalized silica nanoparticles by different functional groups 被引量:3
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作者 孔祥峰 杨斌 +4 位作者 熊恒 周阳 薛生国 徐宝强 王世兴 《Journal of Central South University》 SCIE EI CAS 2014年第9期3575-3579,共5页
The industrial silica fume pretreated by nitric acid at 80 °C was re-used in this work. Then, the obtained silica nanoparticles were surface functionalized by silane coupling agents, such as(3-Mercaptopropyl) tri... The industrial silica fume pretreated by nitric acid at 80 °C was re-used in this work. Then, the obtained silica nanoparticles were surface functionalized by silane coupling agents, such as(3-Mercaptopropyl) triethoxysilane(MPTES) and(3-Amincpropyl) trithoxysilane(APTES). Some further modifications were studied by chloroaceetyl choride and 1,8-Diaminoaphalene for amino modified silica. The surface functionalized silica nanoparticles were characterized by Fourier transform infrared(FI-IR) and X-ray photoelectron spectroscopy(XPS). The prepared adsorbent of surface functionalized silica nanoparticles with differential function groups were investigated in the selective adsorption about Pb2+, Cu2+, Hg2+, Cd2+ and Zn2+ions in aqueous solutions. The results show that the(3-Mercaptopropyl) triethoxysilane functionalized silica nanoparticles(SiO2-MPTES) play an important role in the selective adsorption of Cu2+ and Hg2+, the(3-Amincpropyl) trithoxysilane(APTES) functionalized silica nanoparticles(SiO2-APTES) exhibited maximum removal efficiency towards Pb2+ and Hg2+, the 1,8-Diaminoaphalene functionalized silica nanoparticles was excellent for removal of Hg2+ at room temperature, respectively. 展开更多
关键词 industrial silica fume surface functionalization heavy metal ions selective removal
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Feature Selection with a Local Search Strategy Based on the Forest Optimization Algorithm 被引量:2
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作者 Tinghuai Ma Honghao Zhou +3 位作者 Dongdong Jia Abdullah Al-Dhelaan Mohammed Al-Dhelaan Yuan Tian 《Computer Modeling in Engineering & Sciences》 SCIE EI 2019年第11期569-592,共24页
Feature selection has been widely used in data mining and machine learning.Its objective is to select a minimal subset of features according to some reasonable criteria so as to solve the original task more quickly.In... Feature selection has been widely used in data mining and machine learning.Its objective is to select a minimal subset of features according to some reasonable criteria so as to solve the original task more quickly.In this article,a feature selection algorithm with local search strategy based on the forest optimization algorithm,namely FSLSFOA,is proposed.The novel local search strategy in local seeding process guarantees the quality of the feature subset in the forest.Next,the fitness function is improved,which not only considers the classification accuracy,but also considers the size of the feature subset.To avoid falling into local optimum,a novel global seeding method is attempted,which selects trees on the bottom of candidate set and gives the algorithm more diversities.Finally,FSLSFOA is compared with four feature selection methods to verify its effectiveness.Most of the results are superior to these comparative methods. 展开更多
关键词 FEATURE selection local SEARCH strategy FOREST optimization FITNESS function
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Density functional theory(DFT) studies of vanadium-titanium based selective catalytic reduction(SCR) catalysts 被引量:4
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作者 Ziwei Zhao Erwei Li +4 位作者 Yu Qin Xiaolong Liu Yang Zou Heng Wu Tingyu Zhu 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2020年第4期119-137,共19页
Based on density functional theory(DFT)and basic structure models,the chemical reactions on the surface of vanadium-titanium based selective catalytic reduction(SCR)denitrification catalysts were summarized.Reasonable... Based on density functional theory(DFT)and basic structure models,the chemical reactions on the surface of vanadium-titanium based selective catalytic reduction(SCR)denitrification catalysts were summarized.Reasonable structural models(non-periodic and periodic structural models)are the basis of density functional calculations.A periodic structure model was more appropriate to represent the catalyst surface,and its theoretical calculation results were more comparable with the experimental results than a nonperiodic model.It is generally believed that the SCR mechanism where NH3 and NO react to produce N2 and H2 O follows an Eley-Rideal type mechanism.NH2 NO was found to be an important intermediate in the SCR reaction,with multiple production routes.Simultaneously,the effects of H2 O,SO2 and metal on SCR catalysts were also summarized. 展开更多
关键词 selective catalytic reduction(SCR) Structure model Vanadium-titanium based catalyst Density functional theory(DFT) Adsorption
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