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Reliability and sensitivity analysis of loop-designed security and stability control system in interconnected power systems 被引量:6
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作者 Shenghu Li Huimin Zhou +2 位作者 Yunsong Yan Wei Han Jianfeng Ren 《Global Energy Interconnection》 EI CAS CSCD 2022年第5期501-511,共11页
Security and stability control system(SSCS)in power systems involves collecting information and sending the decision from/to control stations at different layers;the tree structure of the SSCS requires more levels.Fai... Security and stability control system(SSCS)in power systems involves collecting information and sending the decision from/to control stations at different layers;the tree structure of the SSCS requires more levels.Failure of a station or channel can cause all the execution stations(EXs)to be out of control.The randomness of the controllable capacity of the EXs increases the difficulty of the reliability evaluation of the SSCS.In this study,the loop designed SSCS and reliability analysis are examined for the interconnected systems.The uncertainty analysis of the controllable capacity based on the evidence theory for the SSCS is proposed.The bidirectional and loop channels are introduced to reduce the layers and stations of the existing SSCS with tree configuration.The reliability evaluation and sensitivity analysis are proposed to quantify the controllability and vulnerable components for the SSCS in different configurations.By aiming at the randomness of the controllable capacity of the EXs,the uncertainty analysis of the controllable capacity of the SSCS based on the evidence theory is proposed to quantify the probability of the SSCS for balancing the active power deficiency of the grid. 展开更多
关键词 Security and stability control system(SSCS) loop design CONTROLLABILITY VULNERABILITY Interconnected power systems Evidence theory Uncertainty controllable capacity.
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INTEGRATION OF CELL FORMATION AND LAYOUT DESIGN IN THE UNIDIRECTIONAL LOOP MATERIAL HANDLING ENVIRONMENT 被引量:3
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作者 LeiDeming WuZhiming 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2005年第2期286-289,共4页
A two-phase approach is proposed to deal with the integration problem in theloop layout. Tabu search is applied to cell construction in phase 1 to minimize the inter-cell flow,and the heuristic for layout design is us... A two-phase approach is proposed to deal with the integration problem in theloop layout. Tabu search is applied to cell construction in phase 1 to minimize the inter-cell flow,and the heuristic for layout design is used as phase 2 to optimize the sum of intra-cell andinter-cell transportation cost. The final computational results demonstrate the validation of thetwo-phase approach. 展开更多
关键词 Unidirectiona loop Cell formation Layout design Tabu search
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Literature Review on Network Design Problems in Closed Loop and Reverse Supply Chains 被引量:1
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作者 Muthusamy Aravendan Ramasamy Panneerselvam 《Intelligent Information Management》 2014年第3期104-117,共14页
The productivity of an organization is very much affected by non-value adding activity like logistics, which moves the resources from suppliers to factory, raw materials/semi-finished items within the factory and fini... The productivity of an organization is very much affected by non-value adding activity like logistics, which moves the resources from suppliers to factory, raw materials/semi-finished items within the factory and finished goods from factory to customers via a designated distribution channel called as forward logistics. In some cases, parts of the products such as automobiles, computers, cameras, mobile phones, washing machines, refrigerators, garments, footwear and empty glass bottles of beverages, etc. will be brought back to the factories as a product recovery strategy through reverse logistics network which is integrated in a sustainable closed loop supply chain network. So, it is highly essential to optimize the movement of the items in the reverse logistics network. This paper gives a comprehensive review of literature of the design of networks for the reverse logistics as well as for the reverse logistics coupled with forward logistics. The contributions of the researchers are classified into nine categories based on the methods used to design the logistics network. 展开更多
关键词 Supply CHAIN Network design CLOSED-loop REVERSE LOGISTICS Models HEURISTICS Algorithms
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An Integrated Multi-Echelon Model for a Sustainable Closed Loop Supply Chain Network Design 被引量:1
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作者 Muthusamy Aravendan Ramasamy Panneerselvam 《Intelligent Information Management》 2014年第6期257-279,共23页
The integration of entire supply and value chain into a closed loop network is gaining more importance in recent times in order to ensure a business to be economically and environmentally sustainable with the changing... The integration of entire supply and value chain into a closed loop network is gaining more importance in recent times in order to ensure a business to be economically and environmentally sustainable with the changing trends in business and social environments, growing environmental consciousness in the society and government legislations to protect the environment as well as the business. In this context, this paper considers a multi-echelon closed loop supply chain network design with forward and reverse logistics components. An attempt has been made to develop a mixed integer non-linear programming model for this problem with different costs so that the sum of the total cost is minimized subject to different constraints pertaining to capacities of the entities of the system, demands of first customers and second customers. A generalized model is presented and then its application is illustrated using an example problem by solving the model using LINGO14. This model forms as a tool to compare future meta-heuristics to check the closeness of their solutions with corresponding optimal solutions. 展开更多
关键词 Closed loop Forward INTEGRATED MODEL MULTI-ECHELON MINLP Network design RESPONSIVENESS Reverse SUSTAINABLE
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Development and Comparison of Hybrid Genetic Algorithms for Network Design Problem in Closed Loop Supply Chain 被引量:1
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作者 Muthusamy Aravendan Ramasamy Panneerselvam 《Intelligent Information Management》 2015年第6期313-338,共26页
This paper presents four different hybrid genetic algorithms for network design problem in closed loop supply chain. They are compared using a complete factorial experiment with two factors, viz. problem size and algo... This paper presents four different hybrid genetic algorithms for network design problem in closed loop supply chain. They are compared using a complete factorial experiment with two factors, viz. problem size and algorithm. Based on the significance of the factor “algorithm”, the best algorithm is identified using Duncan’s multiple range test. Then it is compared with a mathematical model in terms of total cost. It is found that the best hybrid genetic algorithm identified gives results on par with the mathematical model in statistical terms. So, the best algorithm out of four algorithm proposed in this paper is proved to be superior to all other algorithms for all sizes of problems and its performance is equal to that of the mathematical model for small size and medium size problems. 展开更多
关键词 CLOSED loop Supply CHAIN GENETIC Algorithms HGA META-HEURISTICS MINLP Model Network design Optimization
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淡水鱼类线粒体DNA D-loop基因的引物设计和应用 被引量:18
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作者 黄志坚 徐晓鹏 +4 位作者 唐晶晶 张飓 郑锦卿 李桂峰 何建国 《中山大学学报(自然科学版)》 CAS CSCD 北大核心 2009年第4期84-88,共5页
线粒体DNA测序已广泛应用于鉴定和区分种类以及解决系统进化关系问题。本文选取已测定的主要淡水鱼类的线粒体DNA D-loop基因序列进行同源性比较,寻找保守序列,利用简并性原则设计一对通用的简并引物。利用设计的引物对广东省珠江流域... 线粒体DNA测序已广泛应用于鉴定和区分种类以及解决系统进化关系问题。本文选取已测定的主要淡水鱼类的线粒体DNA D-loop基因序列进行同源性比较,寻找保守序列,利用简并性原则设计一对通用的简并引物。利用设计的引物对广东省珠江流域主要的淡水鱼类线粒体DNA D-loop控制区基因进行扩增,均能获得单一的目的DNA片断,特异性扩增产物大小为1 kb左右。经测序及与GenBank同源序列的比较,证实为包含线粒体控制区全序列的扩增产物。本研究所设计的引物和应用的方法可以快速地同时对多种鱼类进行大规模的遗传背景分析,鉴定某些难于鉴别的近缘物种,为我国鱼类的种类鉴定、地理种群鉴别及种质资源的评估提供重要的工具。 展开更多
关键词 淡水鱼类 线粒体DNA D-loop 引物设计 遗传分析
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活性位点邻近的?-loop对胰蛋白酶热稳定性和活性的影响 被引量:4
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作者 杜坤 甘一如 黄鹤 《高校化学工程学报》 EI CAS CSCD 北大核心 2017年第3期657-662,共6页
以猪源胰蛋白酶作为研究对象,尝试利用删除猪源胰蛋白酶活性位点邻近?-loop的方法来提高其热稳定性和活性。首先通过Gromacs v4.5.5分子动力学模拟软件,预测出了胰蛋白酶的柔性区Fragment 41~46(即?-loop所在区域)。然后根据删除?-loop... 以猪源胰蛋白酶作为研究对象,尝试利用删除猪源胰蛋白酶活性位点邻近?-loop的方法来提高其热稳定性和活性。首先通过Gromacs v4.5.5分子动力学模拟软件,预测出了胰蛋白酶的柔性区Fragment 41~46(即?-loop所在区域)。然后根据删除?-loop结构中不同的氨基酸数目,确立了三个突变R1Q、K3Q及C5Q;通过重叠延伸PCR技术构建突变菌株,发酵表达后,进行了酶热稳定性和活性分析。结果表明,R1Q、K3Q及C5Q的活性在一定程度上均有提高,在热稳定性上R1Q和K3Q有所提高,C5Q有所下降,其中R1Q突变体酶的最高活性较野生型提高了1.42倍,同时,失活半衰期和最适反应温度较野生型也分别提高了213.3 min和11.8℃。实验结果证明,在删除该?-loop中的异亮氨酸后,得到了突变型R1Q酶,成功实现酶双功能的共同进化。该策略有潜力应用于其他工业酶分子的热稳定性和活性改造,为推动生物酶的工业化应用奠定基础。 展开更多
关键词 猪源胰蛋白酶 Ω-loop 理性设计 热稳定性 活性
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冗余设计与智能交互的底盘域控制技术创新
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作者 杜满胜 刘小云 《汽车电器》 2026年第1期90-92,共3页
随着汽车智能化水平提升,整车对安全、动态响应及舒适性要求愈发严苛。本文以底盘域控制器为核心,围绕冗余设计与闭环智能交互展开研究,通过优化系统架构、设计冗余布局、构建执行器交互机制,实现线控转向、线控制动及半主动悬架的联合... 随着汽车智能化水平提升,整车对安全、动态响应及舒适性要求愈发严苛。本文以底盘域控制器为核心,围绕冗余设计与闭环智能交互展开研究,通过优化系统架构、设计冗余布局、构建执行器交互机制,实现线控转向、线控制动及半主动悬架的联合控制与冗余备份。通过搭建硬件在环测试平台验证表明,双通道冗余设计可有效降低响应时延、提升容错性能,为整车安全管控提供可靠保障。研究可为整车电子架构集成改进及多系统协同技术应用提供参考。 展开更多
关键词 底盘域控制器 冗余设计 闭环控制 线控转向 线控制动
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Surface-to-air Missile Autopilot Design Using LQG/LTR Gain Scheduling Method 被引量:8
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作者 YU Jianqiao LUO Guanchen MEI Yuesong 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2011年第3期279-286,共8页
Linear quadratic Gaussian with loop transfer recovery (LQG/LTR) gain scheduling technique is utilized to design gain scheduling autopilot for surface-to-air missile. In order to eliminate the artificial uncertaintie... Linear quadratic Gaussian with loop transfer recovery (LQG/LTR) gain scheduling technique is utilized to design gain scheduling autopilot for surface-to-air missile. In order to eliminate the artificial uncertainties that the traditional "trial and error" de- sign process introduces into system, a method to design target loop based on pole assignment is proposed, which provides an explicit algorithm to construct the matrix differential Riccati equation (MDRE) based on the expected poles determined by the performance specifications. Meanwhile, it is proved that by introducing integrators to augment plant dynamics the fast modes of LQG/LTR gain scheduling controller can be restrained effectively, which alleviates an obstacle for the engineering application of LQG/LTR gain scheduling technique. The proposed method is applied in the design of LQG/LTR gain scheduling autopilot for a surface-to-air missile. The design and simulation results indicate that the fast modes of controller are eliminated obviously, and that the dynamic characteristics of autopilot are stable when flight Mach number and altitude vary. 展开更多
关键词 gain scheduling loop transfer recovery pole assignment autopilot design flight control
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RELIABILITY-BASED DESIGN OF COMPOSITES UNDER THE MIXED UNCERTAINTIES AND THE OPTIMIZATION ALGORITHM 被引量:6
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作者 Rui Ge Jianqiao Chen Junhong Wei 《Acta Mechanica Solida Sinica》 SCIE EI 2008年第1期19-27,共9页
This paper proposed a reliability design model for composite materials under the mixture of random and interval variables. Together with the inverse reliability analysis technique, the sequential single-loop optimizat... This paper proposed a reliability design model for composite materials under the mixture of random and interval variables. Together with the inverse reliability analysis technique, the sequential single-loop optimization method is applied to the reliability-based design of composites. In the sequential single-loop optimization, the optimization and the reliability analysis are decoupled to improve the computational efficiency. As shown in examples, the minimum weight problems under the constraint of structural reliability are solved for laminated composites. The Particle Swarm Optimization (PSO) algorithm is utilized to search for the optimal solutions. The design results indicate that, under the mixture of random and interval variables, the method that combines the sequential single-loop optimization and the PSO algorithm can deal effectively with the reliability-based design of composites. 展开更多
关键词 laminated composites inverse reliability analysis reliability-based design sequential single-loop optimization method PSO
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A Rework Reduction Mechanism in Complex Projects Using Design Structure Matrix Clustering Methods 被引量:1
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作者 XU Haiyan ZHAO Shinan +1 位作者 Amin MAHMOUDI Mohammad Reza FEYLIZADEH 《Transactions of Nanjing University of Aeronautics and Astronautics》 EI CSCD 2019年第2期264-279,共16页
To reduce the uncertainty and reworks in complex projects,a novel mechanism is systematically developed in this paper based on two classical design structure matrix(DSM)clustering methods:Loop searching method(LSM)and... To reduce the uncertainty and reworks in complex projects,a novel mechanism is systematically developed in this paper based on two classical design structure matrix(DSM)clustering methods:Loop searching method(LSM)and function searching method(FSM).Specifically,the optimal working areas for the two clustering methods are first obtained quantitatively in terms of non-zero fraction(NZF)and singular value modularity index(SMI),in which the whole working area is divided into six sub-zones.Then,a judgement procedure is proposed for conveniently choosing the optimal DSM clustering method,which makes it easy to determine which DSM clustering method performs better for a given case.Subsequently,a conceptual model is constructed to assist project managers in effectively analyzing the network of projects and greatly reducing reworks in complex projects by defining preventive actions.Finally,the aircraft design process is presented to show how the proposed judgement mechanism can be utilized to reduce the reworks in actual projects. 展开更多
关键词 PROJECT management design structure MATRIX loop SEARCHING METHOD function SEARCHING METHOD reworks
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Optimization of three-loop missile autopilot gain under crossover frequency constraint 被引量:1
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作者 M.A.ABD-ELATIF Long-jun QIAN Yu-ming BO 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2016年第1期32-38,共7页
The open-loop crossover frequency is pointed as an important parameter for practical autopilot design. Since different gain designs may achieve the same open-loop crossover frequency, it should be neither considered a... The open-loop crossover frequency is pointed as an important parameter for practical autopilot design. Since different gain designs may achieve the same open-loop crossover frequency, it should be neither considered as a performance objective of the optimal autopilot design-schemes nor neglected. Besides, the main assignment of the autopilot is to drive the missile to track the acceleration commands, so the autopilot gain design should be evaluated directly according to the resultant tracking performance. For this purpose, an optimal design methodology of the three-loop missile autopilot is introduced based on constraint optimization technique, where the tracking performance is established analytically as the design objective and the open-loop crossover frequency is formed as inequality constraint function, both are manipulated in terms of stable characteristic parameters of the autopilot closed-loop. The proposed technique is implemented with the assistance of a numerical optimization algorithm which automatically adjusts the design parameters. Finally, numerical simulation results are provided to demonstrate the effectiveness and feasibility of the proposed approach compared with that in some references. 展开更多
关键词 导弹自动驾驶仪 频率约束 优化技术 三回路 增益 设计方法 跟踪性能 数值模拟
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基于数字孪生的起重机结构闭环优化设计方法
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作者 董青 南方磊 +2 位作者 徐格宁 胡双贤 戚其松 《计算机集成制造系统》 北大核心 2025年第7期2293-2309,共17页
针对传统经验模式下起重机结构设计不合理导致承载性能与实际服役场景不匹配的问题,以数字化设计模式为理念,提出基于数字孪生的起重机结构闭环优化设计方法。首先,利用“运行状态-承载性能-形状特点”一体化的思想,从虚实行性映射、数... 针对传统经验模式下起重机结构设计不合理导致承载性能与实际服役场景不匹配的问题,以数字化设计模式为理念,提出基于数字孪生的起重机结构闭环优化设计方法。首先,利用“运行状态-承载性能-形状特点”一体化的思想,从虚实行性映射、数据融合与交互、服务及可视化呈现3个层面,搭建用于起重机结构闭环优化设计的数字孪生系统。其次,在应力预测方面,以不同工况下的结构应力点云样本为基础,采用K最近邻算法(KNN)、球树算法(Ball-Tree)算法和径向神经网络(RBF),构建粗细网格节点匹配模型和应力预测模型,实现随机载荷作用下结构应力快速预测。而后,在结构优化方面,利用应力预测结果,构建静强度和疲劳强度约束条件,结合结构主控尺寸参数,以及由质量和寿命匹配组成的多目标函数,采用非定向算子(NDX)改进NSGA-Ⅱ算法,完成起重机结构闭环优化设计。最后,以YDC20/30轻小型移动式起重机为例,验证了所提方法及系统的可行性和有效性。 展开更多
关键词 数字孪生 起重机结构 闭环优化设计 应力预测
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高校本科教学质量评价系统的设计与实现 被引量:1
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作者 王娜 张丽娟 陈丹琪 《无线互联科技》 2025年第15期66-69,共4页
为提升高校本科教学质量管理的科学性与效率,文章针对学校目前的教学现状设计并实现了一套本科教学质量评价系统。通过构建“四维协同”评价模型,即学生评教、教师同行评价、督导过程性评价、管理决策支持,集成多源异构数据融合技术与A... 为提升高校本科教学质量管理的科学性与效率,文章针对学校目前的教学现状设计并实现了一套本科教学质量评价系统。通过构建“四维协同”评价模型,即学生评教、教师同行评价、督导过程性评价、管理决策支持,集成多源异构数据融合技术与AI智能分析引擎,有效提高评价数据向教学决策的转化效率,为高校构建“评价-反馈-改进”质量闭环提供可扩展的技术框架和数据分析基础。该系统的实践为高等教育数字化转型提供了创新样本,为新时代“以评促建、以评促改”的教育质量文化建设注入持续改进动力。 展开更多
关键词 教学质量 评价 设计 可视化 闭环
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自动控制辅助设计软件Auto-Design
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作者 陈继 《石油化工自动化》 CAS 2004年第6期10-12,共3页
就自动控制辅助设计软件Auto-Design的功能和使用方法做了较为详细的描述,该软件的使用主要是为了提高自控人员的工作效率,减少重复性劳动。
关键词 工程辅助设计 索引模块 数据模块 电缆模块 回路模块
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基于有限理性决策模型的大型建筑群体空间布局模式优化设计研究
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作者 刘畅 景泉 《世界建筑》 2025年第11期108-115,共8页
本研究探究“有限理性决策模型”在大型建筑群体空间布局优化设计中的正向影响与应用,以期在设计策划阶段通过“系统动态调节—负反馈调节”双循环设计逻辑获得满意解。同时,结合分期实施、可完成多轮布局优化的典型案例,借助量化分析方... 本研究探究“有限理性决策模型”在大型建筑群体空间布局优化设计中的正向影响与应用,以期在设计策划阶段通过“系统动态调节—负反馈调节”双循环设计逻辑获得满意解。同时,结合分期实施、可完成多轮布局优化的典型案例,借助量化分析方法,通过“本底分析—方案生成—成果模拟”的正循环及“成效评估—建议汇总—模式优化”的负循环,形成动态反馈的布局优化策略并完成应用示范。 展开更多
关键词 大型建筑群体空间 空间布局 有限理性决策模型 双循环设计逻辑 优化策略 应用示范
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内回路泵测控装置设计与实现
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作者 杨京松 刘力涛 +3 位作者 臧华兵 彭卓 冯红旗 王栋 《传感器与微系统》 北大核心 2025年第3期71-75,共5页
本文设计了专用测控装置在规定时间内实现内回路泵的快速检测。并通过软硬件相结合的方式,设计了一种以微处理器为核心的测控系统。硬件上,以单片机及其外围电路构建基本电路框架,关键器件采用高可靠元器件,并依据国军标进行了I级降额设... 本文设计了专用测控装置在规定时间内实现内回路泵的快速检测。并通过软硬件相结合的方式,设计了一种以微处理器为核心的测控系统。硬件上,以单片机及其外围电路构建基本电路框架,关键器件采用高可靠元器件,并依据国军标进行了I级降额设计,操作显示面板合理布局,组装工艺成熟可靠。软件设计上,提出了一种标尺窗口的计数测量方法。在限定的工作时间内,实现了内回路泵的开关控制、信号调理、转速的精确测量和计算、数据的实时送显等功能。测控装置经校准和标定,测量精度优于1%FS,界面显示直观、操作便捷,系统运行稳定可靠,满足内回路泵空载条件下的定时检测要求,并在载人航天温湿度控制系统的多个总装测试现场得以应用。 展开更多
关键词 载人航天 内回路泵 测控 装置 设计
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基于并网变流器电流稳定运行域的锁相环参数设计方法 被引量:3
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作者 郑宇婷 肖凡 +2 位作者 谢伟杰 涂春鸣 范丁中 《电工技术学报》 北大核心 2025年第10期3181-3194,共14页
传统并网变流器(GCC)控制参数设计通常在额定工况下展开,为了确保系统在非额定工况下安全运行,往往需要牺牲锁相环带宽换取稳定裕度,难以实现变流器稳定性和快速性之间的折中。此外,稳定裕度与系统输出极限的关系难以确定,二者间的定量... 传统并网变流器(GCC)控制参数设计通常在额定工况下展开,为了确保系统在非额定工况下安全运行,往往需要牺牲锁相环带宽换取稳定裕度,难以实现变流器稳定性和快速性之间的折中。此外,稳定裕度与系统输出极限的关系难以确定,二者间的定量关系依赖仿真或者实验。为此,该文提出一种基于电流稳定运行域的锁相环参数设计方法。首先,考虑控制环路之间的相互耦合,推导了复矢量开环传递函数G_(s)(s),用于分析GCC不同系统参数下的稳定运行范围。其次,通过数值分析,得到了电流环与锁相环(PLL)的控制参数域,并分析了环路间耦合对锁相环控制参数取值的影响。然后,得到了不同PLL开环截止频率下GCC的电流稳定边界,并根据所需稳定运行余量选取控制参数,在保证稳定性的同时提升PLL动态性。最后,通过仿真与实验结果验证了理论分析的正确性和所提设计方法的有效性。 展开更多
关键词 并网变流器 弱电网 锁相环 参数设计
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师范认证标准下“大学写作”课程形成性评价体系的构建与实施
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作者 张冉 《齐齐哈尔高等师范专科学校学报》 2025年第1期108-111,共4页
写作类课程在师范认证标准的外驱动下,在课程实践性、综合性的内驱动中,越来越重视形成性评价体系的构建与实施。反向设计是写作课程形成性评价的开端,生成课程教学目标,继而构建“四融通四培优”的评价体系。实施环节采取“评价—分析... 写作类课程在师范认证标准的外驱动下,在课程实践性、综合性的内驱动中,越来越重视形成性评价体系的构建与实施。反向设计是写作课程形成性评价的开端,生成课程教学目标,继而构建“四融通四培优”的评价体系。实施环节采取“评价—分析—反馈—改进—再评价”的闭环运行方式,以学生为中心,以产出为导向,持续提升写作教学质量。 展开更多
关键词 师范认证 大学写作 形成性评价 反向设计 运行闭环
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Computer-assisted anti-AIDS drug development: cyclophilin B against the HIV-1 subtype A V3 loop
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作者 Alexander M. Andrianov Ivan V. Anishchenko 《Health》 2010年第7期661-671,共11页
Aim: The objects of this study originated from the experimental observations, whereby the HIV -1 gp120 V3 loop is a high-affinity ligand for immunophilins, and consisted in generating the structural complex of cycloph... Aim: The objects of this study originated from the experimental observations, whereby the HIV -1 gp120 V3 loop is a high-affinity ligand for immunophilins, and consisted in generating the structural complex of cyclophilin (Cyc) B belonging to immunophilins family with the virus subtype A V3 loop (SA-V3 loop) as well as in specifying the Cyc B segment forming the binding site for V3 synthetic copy of which, on the assumption of keeping the 3D peptide structure in the free state, may present a forwardlooking basic structure for anti-AIDS drug development. Methods: To reach the objects of view, molecular docking of the HIV-1 SA-V3 loop structure determined previously with the X-ray conformation of Cyc B was put into practice by Hex 4.5 program (http://www.loria.fr/~ritchied/ hex/) and the immunophilin stretch responsible for binding to V3 (Cyc B peptide) was identified followed by examination of its 3D structure and dynamic behavior in the unbound status. To design the Cyc B peptide, the X-ray conformation for the identical site of the native protein was involved in the calculations as a starting model to find its best energy structural variant. The search for this most preferable structure was carried out by consecutive use of the molecular mechanics and simulated annealing methods. The molecular dynamics computations were implemented for the Cyc B peptide by the GROMACS computer package (http:// www.gromacs.org/). Results: The overmolecular structure of Cyc B with V3 was built by computer modeling tools and the immunophilinderived peptide able to mask effectively the structurally invariant V3 segments embracing the functionally crucial amino acids of the HIV-1 gp120 envelope protein was constructed and analyzed. Conclusions: Starting from the joint analysis of the results derived with those of the literature, the generated peptide was suggested to offer a promising basic structure for making a reality of the protein engineering projects aimed at developing the anti-AIDS drugs able to stop the HIV’s spread. 展开更多
关键词 HIV-1 V3 loop Cyclophilin B Computer Modeling Molecular Docking Anti-Aids Drug design
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