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A porous⁃layered aluminoborate built by mixed oxoboron clusters and AlO_(4)tetrahedra
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作者 CHEN Juan YANG Guoyu 《无机化学学报》 北大核心 2025年第1期193-200,共8页
An aluminoborate,Na_(2.5)Rb[Al{B_(5)O_(10)}{B_(3)O_(5)}]·0.5NO_(3)·H_(2)O(1),was synthesized under hydrothermal condition,which was built by mixed oxoboron clusters and AlO_(4)tetrahedra.In the structure,the... An aluminoborate,Na_(2.5)Rb[Al{B_(5)O_(10)}{B_(3)O_(5)}]·0.5NO_(3)·H_(2)O(1),was synthesized under hydrothermal condition,which was built by mixed oxoboron clusters and AlO_(4)tetrahedra.In the structure,the[B_(5)O_(10)]^(5-)and[B_(3)O_(7)]^(5-)clusters are alternately connected to form 1D[B_(8)O_(15)]_(n)^(6n-)chains,which are further linked by AlO_(4)units to form a 2D monolayer with 7‑membered ring and 10‑membered ring windows.Two adjacent monolayers with opposite orientations further form a porous‑layered structure with six channels through B—O—Al bonds.Compound 1 was characterized by single crystal X‑ray diffraction,powder X‑ray diffraction(PXRD),IR spectroscopy,UV‑Vis diffuse reflection spectroscopy,and thermogravimetric analysis(TGA),respectively.UV‑Vis diffuse reflectance analysis indicates that compound 1 shows a wide transparency range with a short cutoff edge of 201 nm,suggesting it may have potential application in UV regions.CCDC:2383923. 展开更多
关键词 hydrothermal synthesis aluminoborate mixed oxoboron cluster porous layer
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Cu cluster@UiO-66团簇负载型催化剂促进光催化CO_(2)加氢反应
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作者 王秀林 岐少鹏 +6 位作者 周昆 邓希 姚辉超 戴若云 张雨晴 伍思达 聂锁府 《分子催化(中英文)》 北大核心 2025年第2期111-119,I0001,共10页
针对高活性Cu基团簇(Cu cluster)催化剂的稳定性问题,利用MOFs材料独特的结构限域作用,将Cu团簇锚定在UiO-66中,构建了Cu cluster@UiO-66复合材料,改善了催化剂的稳定性和催化活性.在该复合结构中,UiO-66不仅可作为吸光单元捕获太阳光... 针对高活性Cu基团簇(Cu cluster)催化剂的稳定性问题,利用MOFs材料独特的结构限域作用,将Cu团簇锚定在UiO-66中,构建了Cu cluster@UiO-66复合材料,改善了催化剂的稳定性和催化活性.在该复合结构中,UiO-66不仅可作为吸光单元捕获太阳光形成光生载流子,而且UiO-66的多孔结构可以有效稳定Cu团簇,保证其微观尺度上的高度分散和结构稳定.研究发现,在光催化反应过程中,UiO-66的光生电子可快速转移至Cu团簇,进而以Cu团簇作为催化活性位点驱动CO_(2)还原反应.得益于复合材料中高效的电荷转移和稳定的团簇活性位点结构,光催化CO_(2)加氢反应活性明显增强.本研究为合成MOFs负载型团簇材料提供了新的思路. 展开更多
关键词 复合结构 UiO-66 铜纳米簇 光催化CO_(2)还原
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Optimization of jamming formation of USV offboard active decoy clusters based on an improved PSO algorithm 被引量:1
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作者 Zhaodong Wu Yasong Luo Shengliang Hu 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第2期529-540,共12页
Offboard active decoys(OADs)can effectively jam monopulse radars.However,for missiles approaching from a particular direction and distance,the OAD should be placed at a specific location,posing high requirements for t... Offboard active decoys(OADs)can effectively jam monopulse radars.However,for missiles approaching from a particular direction and distance,the OAD should be placed at a specific location,posing high requirements for timing and deployment.To improve the response speed and jamming effect,a cluster of OADs based on an unmanned surface vehicle(USV)is proposed.The formation of the cluster determines the effectiveness of jamming.First,based on the mechanism of OAD jamming,critical conditions are identified,and a method for assessing the jamming effect is proposed.Then,for the optimization of the cluster formation,a mathematical model is built,and a multi-tribe adaptive particle swarm optimization algorithm based on mutation strategy and Metropolis criterion(3M-APSO)is designed.Finally,the formation optimization problem is solved and analyzed using the 3M-APSO algorithm under specific scenarios.The results show that the improved algorithm has a faster convergence rate and superior performance as compared to the standard Adaptive-PSO algorithm.Compared with a single OAD,the optimal formation of USV-OAD cluster effectively fills the blind area and maximizes the use of jamming resources. 展开更多
关键词 Electronic countermeasure Offboard active decoy USV cluster Jamming formation optimization Improved PSO algorithm
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Synergistic effect of heterogeneous single atoms and clusters for improved catalytic performance
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作者 Long Liu Wenting Gao +5 位作者 Yiling Ma Kainan Mei Wenlong Wu Hongliang Li Zhirong Zhang Jie Zeng 《中国科学技术大学学报》 CAS CSCD 北大核心 2024年第6期34-40,I0010,共8页
Electrocatalytic water splitting provides an efficient method for the production of hydrogen.In electrocatalytic water splitting,the oxygen evolution reaction(OER)involves a kinetically sluggish four-electron transfer... Electrocatalytic water splitting provides an efficient method for the production of hydrogen.In electrocatalytic water splitting,the oxygen evolution reaction(OER)involves a kinetically sluggish four-electron transfer process,which limits the efficiency of electrocatalytic water splitting.Therefore,it is urgent to develop highly active OER catalysts to accelerate reaction kinetics.Coupling single atoms and clusters in one system is an innovative approach for developing efficient catalysts that can synergistically optimize the adsorption and configuration of intermediates and improve catalytic activity.However,research in this area is still scarce.Herein,we constructed a heterogeneous single-atom cluster system by anchoring Ir single atoms and Co clusters on the surface of Ni(OH)_(2)nanosheets.Ir single atoms and Co clusters synergistically improved the catalytic activity toward the OER.Specifically,Co_(n)Ir_(1)/Ni(OH)_(2)required an overpotential of 255 mV at a current density of 10 mA·cm^(−2),which was 60 mV and 67 mV lower than those of Co_(n)/Ni(OH)_(2)and Ir1/Ni(OH)_(2),respectively.The turnover frequency of Co_(n)Ir_(1)/Ni(OH)_(2)was 0.49 s^(−1),which was 4.9 times greater than that of Co_(n)/Ni(OH)_(2)at an overpotential of 300 mV. 展开更多
关键词 single-atom cluster catalysts synergistic effect oxygen evolution reaction
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Evolution mechanism of unmanned cluster cooperation oriented toward strategy selection diversity
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作者 XIE Zhenhai YU Minggang +4 位作者 HE Ming CHEN Guoyou ZHAI Zheng WANG Ziyu LIU Lu 《Journal of Systems Engineering and Electronics》 2025年第2期462-482,共21页
When performing tasks,unmanned clusters often face a variety of strategy choices.One of the key issues in unmanned cluster tasks is the method through which to design autonomous collaboration and cooperative evolution... When performing tasks,unmanned clusters often face a variety of strategy choices.One of the key issues in unmanned cluster tasks is the method through which to design autonomous collaboration and cooperative evolution mechanisms that allow for unmanned clusters to maximize their overall task effective-ness under the condition of strategic diversity.This paper ana-lyzes these task requirements from three perspectives:the diver-sity of the decision space,information network construction,and the autonomous collaboration mechanism.Then,this paper pro-poses a method for solving the problem of strategy selection diversity under two network structures.Next,this paper presents a Moran-rule-based evolution dynamics model for unmanned cluster strategies and a vision-driven-mechanism-based evolu-tion dynamics model for unmanned cluster strategy in the con-text of strategy selection diversity according to various unmanned cluster application scenarios.Finally,this paper pro-vides a simulation analysis of the effects of relevant parameters such as the payoff factor and cluster size on cooperative evolu-tion in autonomous cluster collaboration for the two types of models.On this basis,this paper presents advice for effectively addressing diverse choices in unmanned cluster tasks,thereby providing decision support for practical applications of unmanned cluster tasks. 展开更多
关键词 unmanned cluster strategy diversity dynamic model cooperative evolution
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High dynamic mobile topology-based clustering algorithm for UAV swarm networks
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作者 CHEN Siji JIANG Bo +2 位作者 XU Hong PANG Tao GAO Mingke 《Journal of Systems Engineering and Electronics》 2025年第4期1103-1112,共10页
Unmanned aerial vehicles(UAVs)have become one of the key technologies to achieve future data collection due to their high mobility,rapid deployment,low cost,and the ability to establish line-of-sight communication lin... Unmanned aerial vehicles(UAVs)have become one of the key technologies to achieve future data collection due to their high mobility,rapid deployment,low cost,and the ability to establish line-of-sight communication links.However,when UAV swarm perform tasks in narrow spaces,they often encounter various spatial obstacles,building shielding materials,and high-speed node movements,which result in intermittent network communication links and cannot support the smooth comple-tion of tasks.In this paper,a high mobility and dynamic topol-ogy of the UAV swarm is particularly considered and the high dynamic mobile topology-based clustering(HDMTC)algorithm is proposed.Simulation and real flight verification results verify that the proposed HDMTC algorithm achieves higher stability of net-work,longer link expiration time(LET),and longer node lifetime,all of which improve the communication performance for UAV swarm networks. 展开更多
关键词 unmanned aerial vehichle(UAV)swarm network UAV clustering MOBILITY virtual tube.
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2株Cluster 3鹅源坦布苏病毒的分离鉴定及其致病性研究
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作者 陈作鑫 陈宇欣 +9 位作者 潘彦林 黄允真 李林林 董嘉文 向勇 徐志宏 孙敏华 张俊勤 黄淑坚 廖明 《中国畜牧兽医》 北大核心 2025年第4期1750-1762,共13页
【目的】明确Cluster 3鹅源坦布苏病毒(Tembusu virus, TMUV)基因组变异情况及其对鹅的致病性,为Cluster 3 TMUV的防控提供参考。【方法】利用BHK-21细胞对感染TMUV的鹅肝脏组织样品进行病毒分离,通过RT-PCR、间接免疫荧光试验(IFA)、... 【目的】明确Cluster 3鹅源坦布苏病毒(Tembusu virus, TMUV)基因组变异情况及其对鹅的致病性,为Cluster 3 TMUV的防控提供参考。【方法】利用BHK-21细胞对感染TMUV的鹅肝脏组织样品进行病毒分离,通过RT-PCR、间接免疫荧光试验(IFA)、透射电镜观察进行鉴定,并测定分离株的生长曲线。对分离株完成全基因组扩增后,使用ModelFinder、MrBayes等软件对其进行遗传进化分析,并对分离株的E蛋白进行氨基酸突变位点分析;测定分离株病毒滴度后,攻毒30日龄鹅,观察鹅各组织器官临床剖检病变及组织病理变化,使用实时荧光定量PCR检测鹅各组织脏器中的病毒载量。【结果】RT-PCR成功鉴定得到2份TMUV核酸阳性病料,接种至BHK-21细胞后,60 h即可观察到明显病变。将3代病毒液IFA检测可观察到明显红色荧光,透射电镜可观察到直径约50 nm、有囊膜的病毒粒子。从发病鹅肝脏组织成功分离得到2株TMUV,分别命名为JM3与JM1205。病毒一步生长曲线结果显示,JM3和JM1205株分别在培养60和48 h时病毒滴度最高。全基因扩增结果显示,JM3和JM1205株基因组全长均为10 994 bp。遗传进化树显示,JM3和JM1205株均为Cluster 3 TMUV成员,与Cluster 3 TMUV鸡源分离株CTLN遗传距离最近。氨基酸突变位点分析结果显示,与GenBank中最早上传的TMUV毒株MM1775株相比,JM3和JM1205株的E蛋白存在多个氨基酸位点突变,其中V157A突变可能与TMUV毒力增强相关。攻毒后1 d后鹅开始出现排绿色稀粪症状,攻毒后7 d开始出现神经症状。JM3组在攻毒后14 d仍持续排毒,JM1205组排毒持续至攻毒后11 d。攻毒后6 d,鹅出现体重增长减缓、下降的情况,至10 d开始恢复缓慢上升。剖检发现攻毒组鹅出现不同程度的脾脏肿大、胰脏坏死、肝脏发白、大脑充血;此外JM3株攻毒组鹅出现卵巢出血、心包积液;JM1205株攻毒组鹅出现心脏出血。攻毒后各时间点脾脏病毒载量均最高,在攻毒后3 d达到峰值,随后逐渐下降。【结论】本研究自广东地区养鹅场分离得到2株Cluster 3 TMUV:JM3和JM1205,2株分离株均对鹅有致病性,可在鹅体内多个器官复制,引起鹅共济失调、体重下降等症状。 展开更多
关键词 坦布苏病毒(TMUV) 分支3 分离鉴定 致病性
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NT Clusters集群技术及其在上海国脉通信公司的应用 被引量:1
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作者 项明 应琰莎 《计算机工程与应用》 CSCD 北大核心 1999年第10期126-128,共3页
介绍了Digital公司应用于WindowsNT的集群技术—DigitalClustersforWindowsNT。这是针对当前流行的WindowsNTPCClient/Server网络环境,提出的一种通用的、低成本、高可用性的解决方案。文中说明了使用集群的目的,集群技术及其功能特... 介绍了Digital公司应用于WindowsNT的集群技术—DigitalClustersforWindowsNT。这是针对当前流行的WindowsNTPCClient/Server网络环境,提出的一种通用的、低成本、高可用性的解决方案。文中说明了使用集群的目的,集群技术及其功能特征,集群配置的软硬件要求和它在上海国脉通信股份有限公司的成功应用。 展开更多
关键词 集群 高可用性 客户/服务器 企业网络 无线寻呼
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基于Blending-Clustering集成学习的大坝变形预测模型 被引量:1
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作者 冯子强 李登华 丁勇 《水利水电技术(中英文)》 北大核心 2024年第4期59-70,共12页
【目的】变形是反映大坝结构性态最直观的效应量,构建科学合理的变形预测模型是保障大坝安全健康运行的重要手段。针对传统大坝变形预测模型预测精度低、误报率高等问题导致的错误报警现象,【方法】选取不同预测模型和聚类算法集成,构... 【目的】变形是反映大坝结构性态最直观的效应量,构建科学合理的变形预测模型是保障大坝安全健康运行的重要手段。针对传统大坝变形预测模型预测精度低、误报率高等问题导致的错误报警现象,【方法】选取不同预测模型和聚类算法集成,构建了一种Blending-Clustering集成学习的大坝变形预测模型,该模型以Blending对单一预测模型集成提升预测精度为核心,并通过Clustering聚类优选预测值改善模型稳定性。以新疆某面板堆石坝变形监测数据为实例分析,通过多模型预测性能比较,对所提出模型的预测精度和稳定性进行全面评估。【结果】结果显示:Blending-Clustering模型将预测模型和聚类算法集成,均方根误差(RMSE)和归一化平均百分比误差(nMAPE)明显降低,模型的预测精度得到显著提高;回归相关系数(R~2)得到提升,模型具备更强的拟合能力;在面板堆石坝上22个测点变形数据集上的预测评价指标波动范围更小,模型的泛化性和稳定性得到有效增强。【结论】结果表明:Blending-Clustering集成预测模型对于预测精度、泛化性和稳定性均有明显提升,在实际工程具有一定的应用价值。 展开更多
关键词 大坝 变形 预测模型 Blending集成 clustering集成 模型融合
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Construction of compact RBF network by refining coarse clusters and widths 被引量:1
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作者 Zeng Delu Zhou Zhiheng Xie Shengli 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2009年第6期1309-1315,共7页
It is known that centers, widths, and weights are three mainly considered factors in constructing a radial basis function(RBF) network.This paper aims at constructing a compact RBF network with two main steps.In the... It is known that centers, widths, and weights are three mainly considered factors in constructing a radial basis function(RBF) network.This paper aims at constructing a compact RBF network with two main steps.In the first step, the coarse clusters computed from triangle inequalities are refined to obtain the locations of centers by the defined maximum degree spanning tree(MDST).Meanwhile the coarse widths are obtained.In the second step, a learning algorithm referred to as anisotropic gradient descent method is presented to further refine the above coarse widths.Experiments of the proposed algorithm show its great performance in times series prediction and classification. 展开更多
关键词 clusterING anisotropic gradient descent radial basis function time series prediction boundary extraction.
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Multiple k-hop clusters based routing scheme to preserve source-location privacy in WSNs 被引量:3
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作者 任炬 张尧学 刘康 《Journal of Central South University》 SCIE EI CAS 2014年第8期3155-3168,共14页
Privacy is becoming one of the most notable challenges threatening wireless sensor networks(WSNs).Adversaries may use RF(radio frequency) localization techniques to perform hop-by-hop trace back to the source sensor&#... Privacy is becoming one of the most notable challenges threatening wireless sensor networks(WSNs).Adversaries may use RF(radio frequency) localization techniques to perform hop-by-hop trace back to the source sensor's location.A multiple k-hop clusters based routing strategy(MHCR) is proposed to preserve source-location privacy as well as enhance energy efficiency for WSNs.Owing to the inherent characteristics of intra-cluster data aggregation,each sensor of the interference clusters is able to act as a fake source to confuse the adversary.Moreover,dummy traffic could be filtered efficiently by the cluster heads during the data aggregation,ensuring no energy consumption be burdened in the hotspot of the network.Through careful analysis and calculation on the distribution and the number of interference clusters,energy efficiency is significantly enhanced without reducing the network lifetime.Finally,the security and delay performance of MHCR scheme are theoretically analyzed.Extensive analysis and simulation results demonstrate that MHCR scheme can improve both the location privacy security and energy efficiency markedly,especially in large-scale WSNs. 展开更多
关键词 wireless sensor networks source-location privacy energy efficiency k-hop cluster circular routing
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Clustered张拉整体结构的动力学建模 被引量:1
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作者 张子宇 王彤 周斌 《振动与冲击》 EI CSCD 北大核心 2024年第16期287-294,共8页
针对clustered张拉整体结构,提出了一种基于任意拉格朗日-欧拉(arbitrary Lagrangian-Eulerian, ALE)法的多体动力学模型。相较于传统的拉格朗日法模型,该研究中的模型具有更为简单的运动学约束。首先,引入了一种ALE时变长度索单元,其... 针对clustered张拉整体结构,提出了一种基于任意拉格朗日-欧拉(arbitrary Lagrangian-Eulerian, ALE)法的多体动力学模型。相较于传统的拉格朗日法模型,该研究中的模型具有更为简单的运动学约束。首先,引入了一种ALE时变长度索单元,其网格节点与物质点可以独立运动,提供了一种自然的方式描述结构中运动的滑轮和滑动绳索;其次,利用达朗贝尔原理,推导了该单元的广义力向量并计算了相应的雅可比矩阵;然后,建立了张拉整体系统的动力学方程,并利用广义α算法对其进行求解,选取节点的全局位置坐标和物质坐标作为广义坐标,其中全局位置坐标可以被不同物体共享,以减少动力学方程的自由度数和消除物体间的约束;最后,展示了一个数值算例,10层可折叠张拉整体塔架,对其折叠过程进行了准静态和动力学仿真,验证了模型的有效性。所提出的模型和算法可为clustered张拉整体结构的设计提供理论指导,具有工程意义。 展开更多
关键词 多体动力学模型 clustered张拉整体 任意拉格朗日-欧拉(ALE) 可展开空间结构
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Attributes-based person re-identification via CNNs with coupled clusters loss 被引量:1
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作者 SUN Rui HUANG Qiheng +1 位作者 FANGWei ZHANG Xudong 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2020年第1期45-55,共11页
Person re-identification(re-id)involves matching a person across nonoverlapping views,with different poses,illuminations and conditions.Visual attributes are understandable semantic information to help improve the iss... Person re-identification(re-id)involves matching a person across nonoverlapping views,with different poses,illuminations and conditions.Visual attributes are understandable semantic information to help improve the issues including illumination changes,viewpoint variations and occlusions.This paper proposes an end-to-end framework of deep learning for attribute-based person re-id.In the feature representation stage of framework,the improved convolutional neural network(CNN)model is designed to leverage the information contained in automatically detected attributes and learned low-dimensional CNN features.Moreover,an attribute classifier is trained on separate data and includes its responses into the training process of our person re-id model.The coupled clusters loss function is used in the training stage of the framework,which enhances the discriminability of both types of features.The combined features are mapped into the Euclidean space.The L2 distance can be used to calculate the distance between any two pedestrians to determine whether they are the same.Extensive experiments validate the superiority and advantages of our proposed framework over state-of-the-art competitors on contemporary challenging person re-id datasets. 展开更多
关键词 person re-identification(re-id) convolutions neural network(CNN) attributes coupled clusters loss(CCL)
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Approach to MAI cancellation for micro-satellite clusters
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作者 HUANG Jiajun ZHANG Chaojie JIN Xiaojun 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 2019年第5期823-830,共8页
With the development of micro-satellite technology,traditional monolithic satellites can be replaced by micro-satellite clusters to achieve high flexibility and dynamic reconfiguration capability.For satellite cluster... With the development of micro-satellite technology,traditional monolithic satellites can be replaced by micro-satellite clusters to achieve high flexibility and dynamic reconfiguration capability.For satellite clusters based on the frequency division-code division multiple access(FD-CDMA)communication system,the inter-satellite ranging precision is usually constrained due to the influence ofmulti-address interference(MAI).Themulti-user detection(MUD)is a solution to MAI,which can be divided into two categories:the linear detector(LD)and the non-linear detector(NLD).The general idea of the LD is aiming to make a better decision during the symbol decision process by using the information of all channels.However,it is not beneficial for the signal phase tracking precision.Instead,the principle of the NLD is to rebuild the interference signal and cancel it from the original one,which can improve the ranging performance at the expense of considerable delays.In order to enable simultaneous ranging and communication and reduce multi-node ranging performance degradation,this paper proposes an NLD scheme based on a delay locked loop(DLL),which simplifies the receiver structure and introduces no delay in the decision process.This scheme utilizes the information obtained from the interference channel to reconstruct the interference signal and then cancels it from the original delayed signal.Therefore,the DLL input signal-to-interference ratio(SIR)of the desired channel can be significantly improved.The experimental results show that with the proposed scheme,the standard deviation of the tracking steady error is decreased from 5.59 cm to 3.97 cm for SIR=5 dB,and 13.53 cm to 5.77 cm for SIR=-5 dB,respectively. 展开更多
关键词 MICRO-SATELLITE SATELLITE clusters multi-user detection(MUD) interference CANCELLATION inter-satellite ranging
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Parallel FFT Algorithm on Computer Clusters
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作者 YU Xiu-min 《Journal of Northeast Agricultural University(English Edition)》 CAS 2005年第2期160-162,共3页
DFT is widely applied in the field of signal process and others. Most present rapid ways of calculation are either based on paralleled computers connected by such particular systems like butterfly network, hypercube e... DFT is widely applied in the field of signal process and others. Most present rapid ways of calculation are either based on paralleled computers connected by such particular systems like butterfly network, hypercube etc; or based on the assumption of instant transportation, non-conflict communication, complete connection of paralleled processors and unlimited usable processors. However, the delay of communication in the system of information transmission cannot be ignored. This paper works on the following aspects: instant transmission, dispatching missions, and the path of information through the communication link in the computer cluster systems; layout of the dynamic FFT algorithm under the different structures of computer clusters. 展开更多
关键词 fast fourier transform FFT) computer clusters ALGORITHM
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Density functional investigation on structural and electronic properties of small bimetallic Pb_(n)Ag_(n)(n=2–12)clusters 被引量:1
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作者 LI Gao-feng WANG Jia-ju +4 位作者 CHEN Xiu-min YANG Hong-wei YANG Bin XU Bao-qiang LIU Da-chun 《Journal of Central South University》 SCIE EI CAS CSCD 2018年第4期772-782,共11页
Structural and electronic properties of Pb_(n)Ag_(n)(n=2–12)clusters were investigated by density functional theory with generalized gradient approximation at BLYP level in DMol3 program package.The optimized bimetal... Structural and electronic properties of Pb_(n)Ag_(n)(n=2–12)clusters were investigated by density functional theory with generalized gradient approximation at BLYP level in DMol3 program package.The optimized bimetallic Pb_(n)Ag_(n)(n=2–12)clusters were viewed as the initial structures,then,those were calculated by ab initio molecular dynamics(AIMD)to search possible global minimum energy structures of Pb_(n)Ag_(n)clusters,finally,the ground state structures of Pb_(n)Ag_(n)(n=2–12)clusters were achieved.According to the structural evolution of lowest energy structures,Ag atoms prefer gather in the central sites while Pb atoms prefer external positions in Pb_(n)Ag_(n)(n=2–12)clusters,which is in excellent agreement with experimental results from literature and the application in metallurgy.The average binding energies,HOMO-LUMO gaps,vertical ionization potentials,vertical electron affinities,chemical hardnessη,HOMO orbits,LUMO orbits and density of states of Pb_(n)Ag_(n)(n=2–12)clusters were calculated.The results indicate that the values of HOMO-LUMO gaps,vertical ionization potentials,vertical electron affinities and chemical hardnessηshow obvious odd-even oscillations when n≤5,Pb_(n)Ag_(n)(n=2–12)clusters become less chemically stable and show insulator-to-metal transition with the variation of cluster size n,Pb_(n)Ag_(n)(n≥9)cluster are good candidates to study the properties of PbAg alloys.Those can be well explained by the density of states(DOS)distributions of Pb atoms and Ag atoms between–0.5 Ha and 0.25 Ha in Pb_(n)Ag_(n)(n=2–12)clusters. 展开更多
关键词 density functional theory Pb_(n)Ag_(n)(n=2–12)clusters ab initio molecular dynamics ground state structure
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Density functional theory study on the structure and properties of Si3N4 clusters 被引量:3
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作者 ZHANG Cai-rong ZHANG Bi-xia +2 位作者 CHEN Yu-hong LI Wei-xue XU Guang-ji 《原子与分子物理学报》 CAS CSCD 北大核心 2006年第B04期171-174,共4页
关键词 硅氮化物 结构 特性 密度函数理论
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First principles calculations of the structural and electronic properties of (CdSe)_n clusters 被引量:1
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作者 WANGXin-qiang CHENYong 《原子与分子物理学报》 CAS CSCD 北大核心 2004年第B04期211-212,215,共3页
The structural and electronic properties of (CdSe)_n(1≤n≤5) clusters are calculated using density functional theory within the pseudopotential and generalized gradient approximations. The calculated binding energies... The structural and electronic properties of (CdSe)_n(1≤n≤5) clusters are calculated using density functional theory within the pseudopotential and generalized gradient approximations. The calculated binding energies and highest occupied molecular orbital-lowest unoccupied molecular orbital gaps are compared with those obtained within local density approximation. 展开更多
关键词 硒化镉线束 分子物理学 密度函数理论 半导体线束 束缚能
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MOLECULAR DYNAMICS SIMULATIONS OF FILLED AND EMPTY CAGE-LIKE WATER CLUSTERS IN LIQUID WATER AND THEIR SIGNIFICANCE TO GAS HYDRATE FORMATION MECHANISMS
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作者 GUO Guangjun,ZHANG Yigang and ZHAO Yajuan Institute of Geology and Geophysics,Chinese Academy of sciences Beijing 100029,Chinese 《化工学报》 EI CAS CSCD 北大核心 2003年第z1期62-66,共5页
Molecular dynamics simulations are performed to observe the evolutions of 512 and 51262 cage-like water clusters filled with or without a methane molecule immersed in bulk liquid water at 250 K and 230 K. The lifetime... Molecular dynamics simulations are performed to observe the evolutions of 512 and 51262 cage-like water clusters filled with or without a methane molecule immersed in bulk liquid water at 250 K and 230 K. The lifetimes of these clusters are calculated according to their Lindemann index δ (t) using the criteria of δ≥0.07. For both the filled and empty clusters, we find the dynamics of bulk water determines the lifetimes of cage-like water clusters, and that the lifetime of 512 62 cage-like cluster is the same as that of 512 cage-like cluster. Although the methane molecule indeed makes the filled cage-like cluster more stable than the empty one, the empty cage-like cluster still has chance to be long-lived compared with the filled clusters. These observations support the labile cluster hypothesis on the formation mechanisms of gas hydrates. 展开更多
关键词 like in time that were MOLECULAR DYNAMICS SIMULATIONS OF FILLED AND EMPTY CAGE-LIKE WATER clusters IN LIQUID WATER AND THEIR SIGNIFICANCE TO GAS HYDRATE FORMATION MECHANISMS of cage GAS
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A Clustering-based Location Allocation Method for Delivery Sites under Epidemic Situations
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作者 Zhou Yaqiong Chen Junqi +2 位作者 Li Weishi Qiu Sihang Ju Rusheng 《系统仿真学报》 CAS CSCD 北大核心 2024年第12期2782-2796,共15页
To address the poor performance of commonly used intelligent optimization algorithms in solving location problems—specifically regarding effectiveness,efficiency,and stability—this study proposes a novel location al... To address the poor performance of commonly used intelligent optimization algorithms in solving location problems—specifically regarding effectiveness,efficiency,and stability—this study proposes a novel location allocation method for the delivery sites to deliver daily necessities during epidemic quarantines.After establishing the optimization objectives and constraints,we developed a relevant mathematical model based on the collected data and utilized traditional intelligent optimization algorithms to obtain Pareto optimal solutions.Building on the characteristics of these Pareto front solutions,we introduced an improved clustering algorithm and conducted simulation experiments using data from Changchun City.The results demonstrate that the proposed algorithm outperforms traditional intelligent optimization algorithms in terms of effectiveness,efficiency,and stability,achieving reductions of approximately 12%and 8%in time and labor costs,respectively,compared to the baseline algorithm. 展开更多
关键词 location problem clustering algorithm intelligent optimization algorithm Pareto front
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