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Force and impulse multi-sensor based on flexible gate dielectric field effect transistor
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作者 Chao Tan Junling Lü +3 位作者 Chunchi Zhang Dong Liang Lei Yang Zegao Wang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS 2025年第1期214-220,共7页
Nowadays,force sensors play an important role in industrial production,electronic information,medical health,and many other fields.Two-dimensional material-based filed effect transistor(2D-FET)sensors are competitive ... Nowadays,force sensors play an important role in industrial production,electronic information,medical health,and many other fields.Two-dimensional material-based filed effect transistor(2D-FET)sensors are competitive with nano-level size,lower power consumption,and accurate response.However,few of them has the capability of impulse detection which is a path function,expressing the cumulative effect of the force on the particle over a period of time.Herein we fabricated the flexible polymethyl methacrylate(PMMA)gate dielectric MoS_(2)-FET for force and impulse sensor application.We systematically investigated the responses of the sensor to constant force and varying forces,and achieved the conversion factors of the drain current signals(I_(ds))to the detected impulse(I).The applied force was detected and recorded by I_(ds)with a low power consumption of~30 nW.The sensitivity of the device can reach~8000%and the 4×1 sensor array is able to detect and locate the normal force applied on it.Moreover,there was almost no performance loss for the device as left in the air for two months. 展开更多
关键词 flexible gate dielectric transistor force sensor impulse sensor force sensor array
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A Novel Model for Describing Rail Weld Irregularities and Predicting Wheel-Rail Forces Using a Machine Learning Approach
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作者 Linlin Sun Zihui Wang +3 位作者 Shukun Cui Ziquan Yan Weiping Hu Qingchun Meng 《Computer Modeling in Engineering & Sciences》 SCIE EI 2025年第1期555-577,共23页
Rail weld irregularities are one of the primary excitation sources for vehicle-track interaction dynamics in modern high-speed railways.They can cause significant wheel-rail dynamic interactions,leading to wheel-rail ... Rail weld irregularities are one of the primary excitation sources for vehicle-track interaction dynamics in modern high-speed railways.They can cause significant wheel-rail dynamic interactions,leading to wheel-rail noise,component damage,and deterioration.Few researchers have employed the vehicle-track interaction dynamic model to study the dynamic interactions between wheel and rail induced by rail weld geometry irregularities.However,the cosine wave model used to simulate rail weld irregularities mainly focuses on the maximum value and neglects the geometric shape.In this study,novel theoretical models were developed for three categories of rail weld irregularities,based on measurements of the high-speed railway from Beijing to Shanghai.The vertical dynamic forces in the time and frequency domains were compared under different running speeds.These forces generated by the rail weld irregularities that were measured and modeled,respectively,were compared to validate the accuracy of the proposed model.Finally,based on the numerical study,the impact force due to rail weld irrregularity is modeled using an Artificial Neural Network(ANN),and the optimum combination of parameters for this model is found.The results showed that the proposed model provided a more accurate wheel/rail dynamic evaluation caused by rail weld irregularities than that established in the literature.The ANN model used in this paper can effectively predict the impact force due to rail weld irrregularity while reducing the computation time. 展开更多
关键词 Rail weld irregularity high-speed railway vehicle-track coupled dynamics wheel/rail dynamic vertical force artificial neural networks
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Control Structures and Algorithms for Force Feedback Bilateral Teleoperation Systems: A Comprehensive Review
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作者 Jiawei Tian Yu Zhou +5 位作者 Lirong Yin Salman A.AlQahtani Minyi Tang Siyu Lu Ruiyang Wang Wenfeng Zheng 《Computer Modeling in Engineering & Sciences》 2025年第2期973-1019,共47页
Force feedback bilateral teleoperation represents a pivotal advancement in control technology,finding widespread application in hazardous material transportation,perilous environments,space and deep-sea exploration,an... Force feedback bilateral teleoperation represents a pivotal advancement in control technology,finding widespread application in hazardous material transportation,perilous environments,space and deep-sea exploration,and healthcare domains.This paper traces the evolutionary trajectory of force feedback bilateral teleoperation from its conceptual inception to its current complexity.It elucidates the fundamental principles underpinning interaction forces and tactile exchanges,with a specific emphasis on the crucial role of tactile devices.In this review,a quantitative analysis of force feedback bilateral teleoperation development trends from 2011 to 2024 has been conducted,utilizing published journal article data as the primary source of information.The review accentuates classical control frameworks and algorithms,while also delving into existing research advancements and prospec-tive breakthrough directions.Moreover,it explores specific practical scenarios ranging from intricate surgeries to hazardous environment exploration,underscoring the technology’s potential to revolutionize industries by augmenting human manipulation of remote systems.This underscores the pivotal role of force feedback bilateral teleoperation as a transformative human-machine interface,capable of shaping flexible control strategies and addressing technological bottlenecks.Future research endeavors in force feedback bilateral teleoperation are expected to prioritize the creation of more immersive experiences,overcoming technical hurdles,fortifying human-machine collaboration,and broadening application domains,particularly within the realms of medical intervention and hazardous environments.With the continuous progression of technology,the integration of human intelligence and robotic capabilities is expected to produce more innovations and breakthroughs in the field of automatic control. 展开更多
关键词 force feedback bilateral teleoperation ROBOT development history APPLICATION PROSPECT
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Pore-scale investigation of forced imbibition in porous rocks through interface curvature and pore topology analysis
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作者 Jianchao Cai Xiangjie Qin +2 位作者 Han Wang Yuxuan Xia Shuangmei Zou 《Journal of Rock Mechanics and Geotechnical Engineering》 2025年第1期245-257,共13页
Forced imbibition,the invasion of a wetting fluid into porous rocks,plays an important role in the effective exploitation of hydrocarbon resources and the geological sequestration of carbon dioxide.However,the interfa... Forced imbibition,the invasion of a wetting fluid into porous rocks,plays an important role in the effective exploitation of hydrocarbon resources and the geological sequestration of carbon dioxide.However,the interface dynamics influenced by complex topology commonly leads to non-wetting fluid trapping.Particularly,the underlying mechanisms under viscously unfavorable conditions remain unclear.This study employs a direct numerical simulation method to simulate forced imbibition through the reconstructed digital rocks of sandstone.The interface dynamics and fluid–fluid interactions are investigated through transient simulations,while the pore topology metrics are introduced to analyze the impact on steady-state residual fluid distribution obtained by a pseudo-transient scheme.The results show that the cooperative pore-filling process promoted by corner flow is dominant at low capillary numbers.This leads to unstable inlet pressure,mass flow,and interface curvature,which correspond to complicated interface dynamics and higher residual fluid saturation.During forced imbibition,the interface curvature gradually increases,with the pore-filling mechanisms involving the cooperation of main terminal meniscus movement and arc menisci filling.Complex topology with small diameter pores may result in the destabilization of interface curvature.The residual fluid saturation is negatively correlated with porosity and pore throat size,and positively correlated with tortuosity and aspect ratio.A large mean coordination number characterizing global connectivity promotes imbibition.However,high connectivity characterized by the standardized Euler number corresponding to small pores is associated with a high probability of non-wetting fluid trapping. 展开更多
关键词 forced imbibition Porous rocks Interface dynamics Pore topology Residual fluid distribution
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Adenosine triphosphate-binding pocket inhibitor for mixed lineage kinase domain-like protein attenuated alcoholic liver disease via necroptosis-independent pathway
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作者 Han-Ning Xuan Yuan Hyun Sung Kim +8 位作者 Gye Ryeol Park Jae Eun Ryu Ji Eun Kim In Young Kang Hye Young Kim Seung Min Lee Ju Hee Oh Eileen L Yoon Dae Won Jun 《World Journal of Gastroenterology》 2025年第6期44-61,共18页
BACKGROUND Mixed lineage kinase domain-like protein(MLKL)serves as a critical mediator in necroptosis,a form of regulated cell death linked to various liver diseases.This study aims to specifically investigate the rol... BACKGROUND Mixed lineage kinase domain-like protein(MLKL)serves as a critical mediator in necroptosis,a form of regulated cell death linked to various liver diseases.This study aims to specifically investigate the role of MLKL’s adenosine triphosphate(ATP)-binding pocket in facilitating necroptosis-independent pathways that may contribute to liver disease progression.By focusing on this mechanism,we seek to identify potential therapeutic targets that can modulate MLKL activity,offering new strategies for the prevention and treatment of liver-related pathologies.AIM To investigate the possibility of using the ATP-binding pocket-associated,necro-ptosis-independent MLKL pathway as a target for liver diseases.METHODS Cell death following necroptosis stimuli was evaluated using cell proliferation assays,flow cytometry,and electron microscopy in various cells.The human liver organoid system was used to evaluate whether the MLKL ATP pocket-binding inhibitor could attenuate inflammation.Additionally,alcoholic and non-alcoholic fatty liver diseases animal models were used to determine whether MLKL ATP pocket inhibitors could attenuate liver injury.RESULTS While an MLKL ATP pocket-binding inhibitor did not prevent necroptosis-induced cell death in RAW 264.7 cells,it did reduce the necroptosis-led expression of CXCL2,ICAM,and VCAM.Notably,MLKL ATP pocket inhibitor diminishes the expression of CXCL2,ICAM,and VCAM by inhibiting the IκB kinase and nuclear factor kappa-B pathways without inducing necroptosis-induced cell death in two-dimensional cell culture as well as the human-derived liver organoid system.Although MLKL ATP-binding inhibitor was ineffective in non-alcoholic fatty liver disease animal models,MLKL ATP-binding inhibitor attenuated hepatic inflammation in the alcoholic liver disease model.CONCLUSION MLKL ATP pocket-binding inhibitor exerted anti-inflammatory effects through the necroptosis-independent MLKL pathway in an animal model of alcoholic liver disease. 展开更多
关键词 RAW 264.7 cell Cell death NECROPTOSIS Mixed lineage kinase domain-like protein Non-alcoholic fatty liver disease Mixed lineage kinase domain-like protein adenosine triphosphate binding inhibitor Alcoholic liver disease
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Optical binding forces between plasmonic nanocubes: A numerical study based on discrete-dipole approximation 被引量:1
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作者 张小明 肖君军 张强 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第1期390-394,共5页
Plasmonic nanocubes are ideal candidates in realizing controllable reflectance surfaces, unidirectional nanoantennas and other plasmon-associated applications. In this work, we perform full-wave calculations of the op... Plasmonic nanocubes are ideal candidates in realizing controllable reflectance surfaces, unidirectional nanoantennas and other plasmon-associated applications. In this work, we perform full-wave calculations of the optical forces in threedimensional gold nanocube dimers. For a fixed center-to-center separation, the rotation of the plasmonic nanocube leads to a slight shift of the plasmonic resonance wavelength and a strong change in the optical binding forces. The effective gap and the near field distribution between the two nanocubes are shown to be crucial to this force variation. We further find that the optical binding force is dominated by the scattering process while the optical forces in the wavevector direction are affected by both scattering and absorption, making the former relatively more sensitive to the rotation of(an effective gap between) the nanocubes. Our results would be useful for building all-optically controllable meta-surfaces. 展开更多
关键词 optical binding force nanocube dimer surface plasmon resonance
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ForceCT双能量与低kV扫描技术在头颈CTA中的对比分析
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作者 陈洋 《中文科技期刊数据库(引文版)医药卫生》 2024年第9期0118-0121,共4页
探索并比较Force CT双能量与低kV扫描技术在头颈CTA中的作用。方法 以系统随机化法,将2022.01-2023.01在我院接受头颈CTA检查的40例患者均分为两组各20例。其中观察组患者采用低kV扫描技术,对照组则进行Force CT双能量扫描。比较两组的... 探索并比较Force CT双能量与低kV扫描技术在头颈CTA中的作用。方法 以系统随机化法,将2022.01-2023.01在我院接受头颈CTA检查的40例患者均分为两组各20例。其中观察组患者采用低kV扫描技术,对照组则进行Force CT双能量扫描。比较两组的辐射剂量、图像质量。结果 观察组的辐射剂量指数低于对照组,P<0.05。观察组的大脑中动脉与颈内动脉图像质量均高于对照组,P<0.05。结论 运用低kV扫描技术,能较好地降低头颈CTA检查时的辐射剂量,与此同时还能得到更为高质量的图像,帮助病情的更快诊断,患者能尽快得到个性化的治疗,早日恢复健康。 展开更多
关键词 force CT双能量扫描 低kV扫描 辐射剂量 头颈CTA
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Force CT高级建模迭代重建算法对门静脉图像质量的影响
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作者 陈洋 周子茜 +1 位作者 吕俊红 陈柳娟 《影像研究与医学应用》 2024年第4期76-78,共3页
目的:探讨Force CT高级建模迭代重建算法(ADMIRE)对门静脉图像质量影响。方法:回顾性分析2022年1—4月于中山大学附属第八医院行上腹部CT平扫及增强的40例患者影像资料,在syngo.via后处理工作站重建,采用门脉期原始数据重建出滤波反投... 目的:探讨Force CT高级建模迭代重建算法(ADMIRE)对门静脉图像质量影响。方法:回顾性分析2022年1—4月于中山大学附属第八医院行上腹部CT平扫及增强的40例患者影像资料,在syngo.via后处理工作站重建,采用门脉期原始数据重建出滤波反投影算法(FBP)、ADMIRE1、ADMIRE3、ADMIRE5 4组不同重建算法的图像,在4组不同算法图像上测量门静脉干中心位置、肝实质及同层竖脊肌的CT值和噪声值,计算门静脉和肝实质的信噪比(SNR)和对比噪声比(CNR)。此外,由两位具有5年以上诊断经验的医生对图像进行主观评分。结果:随着迭代等级的增高,图像的CNR、SNR呈现上升的趋势,图像的噪声值呈现下降的趋势,其中ADMIRE5组图像中门静脉和肝脏具有最高的CNR和SNR且具有最低的噪声值,以及最高的主观评分,采用ADMIRE5重建算法的门静脉与周围组织对比非常好,门静脉5级分支显示良好。结论:高级建模迭代重建ADMIRE算法相比于FBP重建算法,降噪效果更好,门静脉的显示更加锐利,能提升门静脉的图像质量。 展开更多
关键词 门静脉 高级建模迭代重建 force CT 图像质量
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On chip chiral and plasmonic hybrid dimer or tetramer:Generic way to reverse longitudinal and lateral optical binding forces
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作者 Sudipta Biswas Roksana Khanam Rumi +2 位作者 Tasnia Rahman Raima Saikat Chandra Das M R C Mahdy 《Chinese Physics B》 SCIE EI CAS CSCD 2022年第5期305-316,共12页
For both the longitudinal binding force and the lateral binding force,a generic way of controlling the mutual attraction and repulsion(usually referred to as reversal of optical binding force)between chiral and plasmo... For both the longitudinal binding force and the lateral binding force,a generic way of controlling the mutual attraction and repulsion(usually referred to as reversal of optical binding force)between chiral and plasmonic hybrid dimers or tetramers has not been reported so far.In this paper,by using a simple plane wave and an onchip configuration,we propose a possible generic way to control the binding force for such hybrid objects in both the near-field region and the far-field region.We also investigate different inter-particle distances while varying the wavelengths of light for each inter-particle distance throughout the investigations.First of all,for the case of longitudinal binding force,we find that chiral-plasmonic hybrid dimer pairs do not exhibit any reversal of optical binding force in the near-field region nor in the far-field region when the wavelength of light is varied in an air medium.However,when the same hybrid system of nanoparticles is placed over a plasmonic substrate,a possible chip,it is possible to achieve a reversal of the longitudinal optical binding force.Later,for the case of lateral optical binding force,we investigate a setup where we place the chiral and plasmonic tetramers on a plasmonic substrate by using two chiral nanoparticles and two plasmonic nanoparticles,with the setup illuminated by a circularly polarized plane wave.By applying the left-handed and the right-handed circular polarization state of light,we also observe the near-field and the far-field reversal of lateral optical binding force for both cases.As far as we know,so far,no work has been reported in the literature on the generic way of reversing the longitudinal optical binding force and the lateral optical binding force of such hybrid objects.Such a generic way of controlling optical binding forces can have important applications in different fields of science and technology in the near future. 展开更多
关键词 longitudinal binding force PLASMONICS CHIRALITY optical force
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Polycyclic Aromatic Hydrocarbon Molecule-Surface Binding Energies in Site Specific Graphene Bilayer Nanopores: A Puzzle-ene Force Field Calculation 被引量:1
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作者 Thomas R. Rybolt Claire B. Black 《Graphene》 2017年第3期72-84,共13页
Two-dimensional molecular recognition studies of the six polyaromatic hydro-carbons that can be formed from the combination of four benzene rings: tetracene, pyrene, 1,2-benzanthracene, 3,4-benzphenanthrene, triphenyl... Two-dimensional molecular recognition studies of the six polyaromatic hydro-carbons that can be formed from the combination of four benzene rings: tetracene, pyrene, 1,2-benzanthracene, 3,4-benzphenanthrene, triphenylene, and chrysene were explored for each of these six molecules interacting with six different graphene layer site-specific nanopores. Computational studies were done for the gas phase adsorption on single layer graphene, bilayer graphene, and six molecule-specific graphene bilayer nanopores. Molecular mechanics MM2 parameters have been shown previously to provide good comparisons to experimental adsorption energies for aromatic hydrocarbons adsorption on graphitic surfaces. These binding energies are dominated by van der Waals forces. Just as a jigsaw puzzle hole can accommodate only a specific piece, two-dimensional shape specific sites were created in the top layer of a graphene bilayer to match each one of the six adsorbate molecules. The purpose of this study was to examine the molecular recognition possibilities of site specific adsorption in these simple two-dimensional nanopores based on dispersion forces and molecular shape. For example, triphenylene has a calculated surface binding energy of 24.5 kcal/mol on the graphene bilayer and 30.2 kcal/mol in its own site specific pore. The interaction energy of this molecule in the other five sites ranged from 17.6 to 23.8 kcal/mol. All the molecules tetracene, pyrene, 1,2-benzanthracene, triphenylene and chrysene had higher binding energies in their matched molecule bilayer sites than on either single or double layer graphene. In addition, each one of these five molecules had a stronger binding in their own shape specific (puzzle-ene) site than any of the other molecular sites. The results suggest that two-dimensional molecular recognition based on shape specific pores may allow selectivity useful for applications such as sensors, separations, nanofabrication, or information storage. 展开更多
关键词 Molecule-Graphene Interaction MOLECULAR Mechanics Adsorption ENERGY binding ENERGY on GRAPHENE POLYCYCLIC Aromatic Hydrocarbons Two-Dimensional MOLECULAR Recognition
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Silk fibroin-based biopolymer composite binders with gradient binding energy and strong adhesion force for high-performance micro-sized silicon anodes 被引量:1
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作者 Panpan Dong Xiahui Zhang +2 位作者 Julio Zamora John McCloy Min-Kyu Song 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第5期442-451,I0010,共11页
Micro-sized silicon anodes have shown much promise in large-scale industrial production of high-energy lithium batteries.However,large volume change(>300%)of silicon anodes causes severe particle pulverization and ... Micro-sized silicon anodes have shown much promise in large-scale industrial production of high-energy lithium batteries.However,large volume change(>300%)of silicon anodes causes severe particle pulverization and the formation of unstable solid electrolyte interphases during cycling,leading to rapid capacity decay and short cycle life of lithium-ion batteries.When addressing such issues,binder plays key roles in obtaining good structural integrity of silicon anodes.Herein,we report a biopolymer composite binder composed of rigid poly(acrylic acid)(PAA)and flexible silk fibroin(SF)tailored for micro-sized silicon anodes.The PAA/SF binder shows robust gradient binding energy via chemical interactions between carboxyl and amide groups,which can effectively accommodate large volume change of silicon.This PAA/SF binder also shows much stronger adhesion force and improved binding towards high-surface/defective carbon additives,resulting in better electrochemical stability and higher coulombic efficiency,than conventional PAA binder.As such,micro-sized silicon/carbon anodes fabricated with novel PAA/SF binder exhibit much better cyclability(up to 500 cycles at 0.5 C)and enhanced rate capability compared with conventional PAA-based anodes.This work provides new insights into the design of functional binders for high-capacity electrodes suffering from large volume change for the development of nextgeneration lithium batteries. 展开更多
关键词 Micro-sized silicon BINDER Silk fbroin Strong adhesion force Rate capability CYCLABILITY
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A comparison study on structure-function relationship of polysaccharides obtained from sea buckthorn berries using different methods:antioxidant and bile acid-binding capacity 被引量:8
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作者 Qiaoyun Li Zuman Dou +5 位作者 Qingfei Duan Chun Chen Ruihai Liu Yueming Jiang Bao Yang Xiong Fu 《Food Science and Human Wellness》 SCIE CSCD 2024年第1期494-505,共12页
In this study,the structural characters,antioxidant activities and bile acid-binding ability of sea buckthorn polysaccharides(HRPs)obtained by the commonly used hot water(HRP-W),pressurized hot water(HRP-H),ultrasonic... In this study,the structural characters,antioxidant activities and bile acid-binding ability of sea buckthorn polysaccharides(HRPs)obtained by the commonly used hot water(HRP-W),pressurized hot water(HRP-H),ultrasonic(HRP-U),acid(HRP-C)and alkali(HRP-A)assisted extraction methods were investigated.The results demonstrated that extraction methods had significant effects on extraction yield,monosaccharide composition,molecular weight,particle size,triple-helical structure,and surface morphology of HRPs except for the major linkage bands.Thermogravimetric analysis showed that HRP-U with filamentous reticular microstructure exhibited better thermal stability.The HRP-A with the lowest molecular weight and highest arabinose content possessed the best antioxidant activities.Moreover,the rheological analysis indicated that HRPs with higher galacturonic acid content and molecular weight showed higher viscosity and stronger crosslinking network(HRP-C,HRP-W and HRP-U),which exhibited stronger bile acid binding capacity.The present findings provide scientific evidence in the preparation technology of sea buckthorn polysaccharides with good antioxidant and bile acid binding capacity which are related to the structure affected by the extraction methods. 展开更多
关键词 Sea buckthorn Extraction method STRUCTURE Rheological properties Antioxidant activity Bile acid binding capacity
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Analysis and Experimental Study on the Friction Force at the Binding Point of Flexible Cable on Satellite
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作者 Ziquan Wang Jinzhu Li +4 位作者 Xuefeng Gao Yunqiang Wu Yingjie Lin Zhiwen Luo Donglei Jiang 《Journal of Beijing Institute of Technology》 EI CAS 2023年第6期754-768,共15页
Mainly for the problem that the friction force generated by the existing process of bind-ing,fixing and fastening the flexible cable on the satellite is unknown,the friction force analysis and experimental research on... Mainly for the problem that the friction force generated by the existing process of bind-ing,fixing and fastening the flexible cable on the satellite is unknown,the friction force analysis and experimental research on the binding point of the flexible cable are carried out.The equivalent model of the cable bundle bound by nylon cable ties is established,the force on the binding point is analyzed,and the empirical formula for calculating the friction force at the binding point is estab-lished.The formula shows that the friction force is related to the cable bundle diameter,the number of winding cycles of silicone rubber tape,the width of nylon cable ties,and the binding force.The friction force tests of the cable diameter of 5.06 mm,8.02 mm,24.02 mm,38.04 mm under different winding turns of tape were carried out,which was compared with the theoretical calculation value.It is concluded that the calculation accuracy of the theoretical model is more than 95%,which can estimate the actual friction force value accurately.This provides a reference and basis for the theoretical and experimental research on the friction force of the flexible cable binding point on satellite. 展开更多
关键词 flexible cable binding point equivalent model friction force experimental study
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Measurement of Binding Force between Microtubule-Associated Protein and Microtubule
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作者 徐春华 郭红莲 +4 位作者 屈娥 李兆霖 袁明 程丙英 张道中 《Chinese Physics Letters》 SCIE CAS CSCD 2007年第9期2714-2716,共3页
Microtubule-associated proteins (MAPs) are important proteins in cells. They can regulate the organization, dynamics and function of microtubules. We measure the binding force between microtubule and a new plant MAP... Microtubule-associated proteins (MAPs) are important proteins in cells. They can regulate the organization, dynamics and function of microtubules. We measure the binding force between microtubule and a new plant MAP, i.e. AtMAP65-1, by dual-optical tweezers. The force is obtained to be 14.6 ± 3.5 pN from the data statistics and analysis. This force measurement is helpful to understand the function and mechanism of MAPs from the mechanical point of view and lays the groundwork for future measurements of the mechanical properties of other biological macro-molecules. 展开更多
关键词 OPTICAL TWEEZERS SYSTEM BREAKING force DISPLACEMENT RIGIDITY MOLECULE
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A Study on the Driving Force for Binding of Benzene Derivatives by α-and β-Cyclodextrin
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作者 Shuang Hui LUO Hui Ming JMNG +1 位作者 You Cheng LIU(National Laboratory of Applied organic Chemistry, Lanzhou University, Lanzhou 730000)Qing Xiang GUO (Department of Chemistry, University of Science and Technology of China, Hefei 230026) 《Chinese Chemical Letters》 SCIE CAS CSCD 1998年第5期463-464,共2页
A three-dimensional diagram shows that the association constants (Ka) for the inclusionof a- and 6-CD with substitUted benzene are mainly correIated with the molar refraction (R.) andhydrophobic constant (%) of the su... A three-dimensional diagram shows that the association constants (Ka) for the inclusionof a- and 6-CD with substitUted benzene are mainly correIated with the molar refraction (R.) andhydrophobic constant (%) of the substitUents of guest compounds. It reveals that the inclusion ofcyclodextrin with the substitUted benzene is dondnantly driYen by van der Waals forces andhydrophobic interactions. 展开更多
关键词 benzene derivatives CYCLODEXTRIN driving force inclusion complexation
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Wettability alteration by magnesium ion binding in heavy oil/brine/chemical/sand systems—analysis of hydration forces
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作者 Qiang Liu Ming-Zhe Dong +1 位作者 Koorosh Asghari Yun Tu 《Natural Science》 2010年第5期450-456,共7页
In laboratory sandpack tests for heavy oil re-covery by alkaline flooding, it was found that wettability alteration of the sand had a significant impact on oil recovery. In this work, a heavy oil of 14? API was used t... In laboratory sandpack tests for heavy oil re-covery by alkaline flooding, it was found that wettability alteration of the sand had a significant impact on oil recovery. In this work, a heavy oil of 14? API was used to examine the effect of organic acids in the oil and water che- mistry on wettability alteration. From interfacial tension measurements and sand surface composition analysis, it was concluded that the water-wet sand became preferentially oil-wet by magnesium ion binding. The presence of Mg2+ in the heavy oil/Na2CO3 solution/sand system increased the oil/water interfacial tension. This confirmed the hypothesis that magnesium ion combined with the ionized organic acids to form magnesium soap at oil/water interface. Under alkaline condition, the ionized organic acids in the oil phase partition into the water phase and subsequently adsorb on the sand surfaces. The analysis of sand surface composition sugg- ested that more ionized organic acids adsorb- ed on the sand surface through magnesium ion binding. The attachment of more organic acids on the sand surface changed hydration forces, making the sand surface more oil-wet. 展开更多
关键词 WETTABILITY ALTERATION Alkaline Flooding MAGNESIUM Ion binding Interfacial Tension Organic ACIDS
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Force Field Based MM2 Molecule-Surface Binding Energies for Graphite and Graphene
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作者 Jae H. Son Thomas R. Rybolt 《Graphene》 2013年第1期18-34,共17页
The gas phase adsorption of 118 organic molecules on graphite and graphene was studied by calculating their molecule surface binding energies, Ecal*, using molecular mechanics MM2 parameters. Due to the general lack o... The gas phase adsorption of 118 organic molecules on graphite and graphene was studied by calculating their molecule surface binding energies, Ecal*, using molecular mechanics MM2 parameters. Due to the general lack of reported experimental binding energy values for organic molecules with graphene, E*(graphene), it was considered desirable to have a simple but effective method to estimate these values. Calculated binding energy values using a three-layer model, Ecal*(3), were compared and correlated to published experimental values for graphitic surfaces, E*(graphite). Pub-lished values of experimental binding energies for graphite, E*(graphite), were available from gas-solid chromatogram-phy in the Henry’s Law region over a range of temperature. Calculated binding energy values using a one-layer model, Ecal*(1), were compared to the three-layer Ecal*(3) values and found to consistently be 93.5% as large. This relation along with an E*(graphite) and Ecal*(3) correlation was used to develop a means to estimate molecule-graphene bind-ing energies. Using this approach we report estimated values of 118 molecule-graphene binding energy values. 展开更多
关键词 Molecule-Graphene INTERACTION Molecule-Graphite INTERACTION Molecular Mechanics Adsorption ENERGY binding ENERGY on GRAPHENE binding ENERGY on GRAPHITE
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Analysis of Relation Between Binding and Magnetic Force in Generators in Extreme Conditions
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《Electricity》 2013年第1期26-30,共5页
Because of the action of strong magnetic forces, it's difficult to avoid end winding vibration in the large turbo-generator stator. Sometimes it leads to the occurrence of accidents and affects the normal operatio... Because of the action of strong magnetic forces, it's difficult to avoid end winding vibration in the large turbo-generator stator. Sometimes it leads to the occurrence of accidents and affects the normal operation of the generator. This paper firstly lays out the calculation method for end winding magnetic force. Second, based on the structure of large machines, the natural vibration frequency equation and forced oscillation equation is set up. Third, through the analysis of magnetic force calculation and vibration on the end winding of turbo-generator, it will be shown that the end winding vibration is related to the magnetic force and the position of winding binds as well as binding tightness. We can ease the winding vibration by distributing binding position appropriately or add more bindings, and test the concept through experimental data. 展开更多
关键词 TURBO-GENERATOR vibration magnetic force winding binding
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Sensitivity impacts owing to the variations in the type of zero-range pairing forces on the fission properties using the density functional theory 被引量:1
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作者 Yang Su Ze-Yu Li +3 位作者 Li-Le Liu Guo-Xiang Dong Xiao-Bao Wang Yong-Jing Chen 《Nuclear Science and Techniques》 SCIE EI CAS CSCD 2024年第3期198-207,共10页
Using the Skyrme density functional theory,potential energy surfaces of^(240)Pu with constraints on the axial quadrupole and octupole deformations(q_(20)and q_(30))were calculated.The volume-like and surface-like pair... Using the Skyrme density functional theory,potential energy surfaces of^(240)Pu with constraints on the axial quadrupole and octupole deformations(q_(20)and q_(30))were calculated.The volume-like and surface-like pairing forces,as well as a combination of these two forces,were used for the Hartree–Fock–Bogoliubov approximation.Variations in the least-energy fission path,fission barrier,pairing energy,total kinetic energy,scission line,and mass distribution of the fission fragments based on the different forms of the pairing forces were analyzed and discussed.The fission dynamics were studied based on the timedependent generator coordinate method plus the Gaussian overlap approximation.The results demonstrated a sensitivity of the mass and charge distributions of the fission fragments on the form of the pairing force.Based on the investigation of the neutron-induced fission of^(239)Pu,among the volume,mixed,and surface pairing forces,the mixed pairing force presented a good reproduction of the experimental data. 展开更多
关键词 Nuclear fission Density functional theory Pairing force Potential energy surfaces Fission fragment distribution
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Computational Simulation of Aptamer-target Binding Mechanisms
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作者 YANG Yuan-Yuan XU Fei WU Xiu-Xiu 《中国生物化学与分子生物学报》 CAS CSCD 北大核心 2024年第11期1550-1562,共13页
Aptamers are a type of single-chain oligonucleotide that can combine with a specific target.Due to their simple preparation,easy modification,stable structure and reusability,aptamers have been widely applied as bioch... Aptamers are a type of single-chain oligonucleotide that can combine with a specific target.Due to their simple preparation,easy modification,stable structure and reusability,aptamers have been widely applied as biochemical sensors for medicine,food safety and environmental monitoring.However,there is little research on aptamer-target binding mechanisms,which limits their application and development.Computational simulation has gained much attention for revealing aptamer-target binding mechanisms at the atomic level.This work summarizes the main simulation methods used in the mechanistic analysis of aptamer-target complexes,the characteristics of binding between aptamers and different targets(metal ions,small organic molecules,biomacromolecules,cells,bacteria and viruses),the types of aptamer-target interactions and the factors influencing their strength.It provides a reference for further use of simulations in understanding aptamer-target binding mechanisms. 展开更多
关键词 computational simulation APTAMER TARGET binding mechanism intermolecular forces
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