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Application of CFD and FEA Coupling to Predict Structural Dynamic Responses of A Trimaran in Uni-and Bi-Directional Waves
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作者 LIAO Xi-yu XIA Jin-song +4 位作者 CHEN Zhan-yang TANG Qin ZHAO Nan ZHAO Wei-dong GUI Hong-bin 《China Ocean Engineering》 SCIE EI CSCD 2024年第1期81-92,共12页
To predict the wave loads of a flexible trimaran in different wave fields,a one-way interaction numerical simulation method is proposed by integrating the fluid solver(Star-CCM+)and structural solver(Abaqus).Differing... To predict the wave loads of a flexible trimaran in different wave fields,a one-way interaction numerical simulation method is proposed by integrating the fluid solver(Star-CCM+)and structural solver(Abaqus).Differing from the existing coupled CFD-FEA method for monohull ships in head waves,the presented method equates the mass and stiffness of the whole ship to the hull shell so that any transverse and longitudinal section stress of the hull in oblique waves can be obtained.Firstly,verification study and sensitivity analysis are carried out by comparing the trimaran motions using different mesh sizes and time step schemes.Discussion on the wave elevation of uni-and bi-directional waves is also carried out.Then a comprehensive analysis on the structural responses of the trimaran in different uni-directional regular wave and bi-directional cross sea conditions is carried out,respectively.Finally,the differences in structural response characteristics of trimaran in different wave fields are studied.The results show that the present method can reduce the computational burden of the two-way fluid-structure interaction simulations. 展开更多
关键词 CFD-FEA fluid-structure coupling structural responses TRIMARAN bi-directional cross sea
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On the Fine Structure and the Other Coupling Constants at the Planck Scale
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作者 Paolo Christillin 《Journal of Modern Physics》 CAS 2023年第5期666-669,共4页
It is shown that the fine structure constant at Planck times tends to one as well as those of the weak and strong interactions. This results by constraining them at the Planck force. That seems to provide interesting ... It is shown that the fine structure constant at Planck times tends to one as well as those of the weak and strong interactions. This results by constraining them at the Planck force. That seems to provide interesting new results which confirm that at the beginning of space time (Planck scale) all fundamental forces converge to the same unit value. 展开更多
关键词 Fine structure Constant Fundamental Interactions coupling Constants Unification at Planck Scale
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The Tension Cosmology, Largest Cosmic Structures and Explosions of Supernovae from SST
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作者 Sylwester Kornowski 《Journal of High Energy Physics, Gravitation and Cosmology》 CAS 2024年第3期1029-1044,共16页
Here, using the Scale-Symmetric Theory (SST) we explain the cosmological tension and the origin of the largest cosmic structures. We show that a change in value of strong coupling constant for cold baryonic matter lea... Here, using the Scale-Symmetric Theory (SST) we explain the cosmological tension and the origin of the largest cosmic structures. We show that a change in value of strong coupling constant for cold baryonic matter leads to the disagreement in the galaxy clustering amplitude, quantified by the parameter S8. Within the same model we described the Hubble tension. We described also the mechanism that transforms the gravitational collapse into an explosion—it concerns the dynamics of virtual fields that lead to dark energy. Our calculations concern the Type Ia supernovae and the core-collapse supernovae. We calculated the quantized masses of the progenitors of supernovae, emitted total energy during explosion, and we calculated how much of the released energy was transferred to neutrinos. Value of the speed of sound in the strongly interacting matter measured at the LHC confirms that presented here model is correct. Our calculations show that the Universe is cyclic. 展开更多
关键词 Scale-Symmetric Theory Tension Cosmology coupling Constants Parameters σ8 and S8 Largest Cosmic structures Dark Energy Supernova Explosion Cyclic Universe
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Sound Transmission Loss Analysis of a Double Plate-Acoustic Cavity Coupling System with In-Plane Functionally Graded Materials
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作者 Changzhong Chen Mingfei Chen Wenliang Yu 《Journal of Applied Mathematics and Physics》 2024年第6期2333-2345,共13页
In this paper, the isogeometric analysis (IGA) is employed to develop an acoustic radiation model for a double plate-acoustic cavity coupling system, with a focus on analyzing the sound transmission loss (STL). The fu... In this paper, the isogeometric analysis (IGA) is employed to develop an acoustic radiation model for a double plate-acoustic cavity coupling system, with a focus on analyzing the sound transmission loss (STL). The functionally graded (FG) plate exhibits a different material properties in-plane, and the power-law rule is adopted as the governing principle for material mixing. To validate the harmonic response and demonstrate the accuracy and convergence of the isogeometric modeling, ANASYS is utilized to compare with numerical examples. A plane wave serves as the acoustic excitation, and the Rayleigh integral is applied to discretize the radiated plate. The STL results are compared with the literature, confirming the reliability of the coupling system. Finally, the investigation is conducted to study impact of cavity depth and power-law parameter on the STL. 展开更多
关键词 Isogeometric Analysis Sound Transmission Loss Double-Plate System Functionally Graded Materials Acoustic structure coupling
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Experimental and simulation studies on similitude design method for shock responses of beam-plate coupled structure
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作者 Lei LI Zhong LUO +3 位作者 Fengxia HE Jilai ZHOU HuiMA HuiLI 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2023年第6期917-930,共14页
The similitude theory helps to understand the physical behaviors of large structures through scaled models. Several papers have studied the similitude of shock issues. However, the dynamic similitude for shock respons... The similitude theory helps to understand the physical behaviors of large structures through scaled models. Several papers have studied the similitude of shock issues. However, the dynamic similitude for shock responses of coupled structures is rarely incorporated in open studies. In this paper, scaling laws are derived for the shock responses and spectra of coupled structures. In the presented scaling laws, the geometric distortion and energy loss are considered. The ability of the proposed scaling laws is demonstrated in the simulation and experimental cases. In both cases, the similitude prediction for the prototype's time-domain waveform and spectrum is conducted with the scaled model and scaling laws. The simulation and experimental cases indicate that the predicted shock responses and spectra agree well with those of the prototype, which verifies the proposed scaling laws for predicting shock responses. 展开更多
关键词 partial similitude scaling law shock response coupled structure virtual mode synthesis simulation(VMSS) statistical energy analysis(SEA)
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Type Synthesis of 1T2R Parallel Mechanisms Using Structure Coupling-Reducing Method 被引量:10
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作者 Haitao Liu Ke Xu +2 位作者 Huiping Shen Xianlei Shan Tingli Yang 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2019年第5期70-79,共10页
Direct kinematics with analytic solutions is critical to the real-time control of parallel mechanisms.Therefore,the type synthesis of a mechanism having explicit form of forward kinematics has become a topic of intere... Direct kinematics with analytic solutions is critical to the real-time control of parallel mechanisms.Therefore,the type synthesis of a mechanism having explicit form of forward kinematics has become a topic of interest.Based on this purpose,this paper deals with the type synthesis of 1T2R parallel mechanisms by investigating the topological structure coupling-reducing of the 3UPS&UP parallel mechanism.With the aid of the theory of mechanism topology,the analysis of the topological characteristics of the 3UPS&UP parallel mechanism is presented,which shows that there are highly coupled motions and constraints amongst the limbs of the mechanism.Three methods for structure coupling-reducing of the 3UPS&UP parallel mechanism are proposed,resulting in eight new types of 1T2R parallel mechanisms with one or zero coupling degree.One obtained parallel mechanism is taken as an example to demonstrate that a mechanism with zero coupling degree has an explicit form for forward kinematics.The process of type synthesis is in the order of permutation and combination;therefore,there are no omissions.This method is also appli cable to other configurations,and novel topological structures having simple forward kinematics can be obtained from an original mechanism via this method. 展开更多
关键词 TYPE synthesis structure coupling-reducing coupling degree Parallel mechanism
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Coupling Effects on Gold Mineralization of Deep and Shallow Structures in the Northwestern Jiaodong Peninsula, Eastern China 被引量:43
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作者 YANG Liqiang DENG Jun +1 位作者 WANG Qingfei ZHOU Yinghua 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2006年第3期400-411,共12页
For understanding the possible deep-seated processes and geodynamic constrains on gold mineralization, comprehensive physicochemical and geochemical studies of gold mineralization have been undertaken within the paleo... For understanding the possible deep-seated processes and geodynamic constrains on gold mineralization, comprehensive physicochemical and geochemical studies of gold mineralization have been undertaken within the paleo-lithosphere framework during the metailogenic epoch from the northwestern part of the Jiaodong Peninsula in this paper. A general image of the paleo-crust has been remained although it has been superimposed and reformed by post-metailogenic tectonic movements. The gold ore deposits occur usually in local uplifts and gradient belts featuring a turn from steep to gentle in granite-metamorphic contact zones, relative uplifts of gradient zones of the Curier isothermal interfaces, depressions of the Moho discontinuity and areas where depth contours are cut by isotherms perpendicularly. Gold mineralization and lithogenesis are characterized by high temperature, low pressure and high strength of thermal flux. The depth of mineralization ranges from 0.8 to 4.5 km. The depth of the top interface of the granitic complex in the metallogenic epoch is about 3 km. There is a low-velocity layer (LVL) at the bottom of the upper crust with a depth close to 19.5 km, which may be a detachment belt in the crust. The appearance of the LVL indicates the existence of paleo-hyperthermal fluid or relics of molten magma chambers, which reflects partial melting within the crust during the diagenetic and metallogenic epochs and the superposition effects of strike-slip shearing of the Taulu fault zone. The subsidence of the Moho is probably attributed to the coupling process of the NW-SE continental collision between North China and the Yangtze Block and the strike-slip movement of the Tanlu fault accompanied with underplating of mantle magma in the northwestern part of the Jiaodong Peninsula. The underplating of mantle magma may result in partial melting and make granite magma transfer upwards. This is favorable for the migration of metallogenic materials from deep to shallow to be enriched to form deposits. Coupling interactions between the strike-slip of the Taulu fault, the underplating of mantle magma, partial melting within the crust, and hyperthermal fluid, etc. may be the important factors controlling the gold mineralization and spatial structures in the metailogenic system. 展开更多
关键词 coupling of deep and shallow structures metallogenic dynamics Jiaodong Peninsula
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Crust-Mantle Structure and Coupling Effects on Mineralization : An Example from Jiaodong Gold Ore Deposits Concentrating Area, China 被引量:17
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作者 YangLiqiang DengJun +2 位作者 ZhangZhongjie WangGuangjie WangJianping 《Journal of China University of Geosciences》 SCIE CSCD 2003年第1期42-51,共10页
Based on the results of two dimension velo city structure, 1∶100 000 aeromagnetic anomaly, 1∶200 000 bouguer gravity anom aly and seismic anisotropy of Jiaodong and neighboring region in Shandong, China , the info... Based on the results of two dimension velo city structure, 1∶100 000 aeromagnetic anomaly, 1∶200 000 bouguer gravity anom aly and seismic anisotropy of Jiaodong and neighboring region in Shandong, China , the information of geophysical field was divided into two parts: deep and sh allow focus fields. And then, the information of two different fields was c ombined with that of deep seated geology and ore deposit features. The syntheti c result was adopted to analyze three dimension structure, to probe into crust mantle coupling effects of mineralization and dynamics of ore formation system . 展开更多
关键词 geophysical field crust mantle structure coupling effect dynamics of mineralization Jiaodong area of China.
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Evaluation on Stability of Stope Structure Based on Nonlinear Dynamics of Coupling Artificial Neural Network 被引量:7
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作者 Meifeng Cai Xingping Lai 《Journal of University of Science and Technology Beijing》 CSCD 2002年第1期1-4,共4页
The nonlinear dynamical behaviors of artificial neural network (ANN) and their application to science and engineering were summarized. The mechanism of two kinds of dynamical processes, i.e. weight dynamics and activa... The nonlinear dynamical behaviors of artificial neural network (ANN) and their application to science and engineering were summarized. The mechanism of two kinds of dynamical processes, i.e. weight dynamics and activation dynamics in neural networks, and the stability of computing in structural analysis and design were stated briefly. It was successfully applied to nonlinear neural network to evaluate the stability of underground stope structure in a gold mine. With the application of BP network, it is proven that the neuro-com- puting is a practical and advanced tool for solving large-scale underground rock engineering problems. 展开更多
关键词 coupling neural network nonlinear dynamics structural stability stope parameters
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Fully fluid-solid coupling dynamic model for seismic response of underground structures in saturated soils 被引量:6
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作者 Li Liang Jiao Hongyun +1 位作者 Du Xiuli Shi Peixin 《Earthquake Engineering and Engineering Vibration》 SCIE EI CSCD 2020年第2期257-268,共12页
The seismic response characteristics of underground structures in saturated soils are investigated.A fully fluid-solid coupling dynamic model is developed and implemented into ABAQUS with a user-defined element to sim... The seismic response characteristics of underground structures in saturated soils are investigated.A fully fluid-solid coupling dynamic model is developed and implemented into ABAQUS with a user-defined element to simulate the dynamic behavior of saturated soils.The accuracy of the model is validated using a classic example in literature.The performance of the model is verified by its application on simulating the seismic response characteristics of a subway station built in saturated soils.The merits of the model are demonstrated by comparing the difference of the seismic response of an underground structure in saturated soils between using the fully coupling model and a single-phase medium model.The study finds that the fully coupling model developed herein can simulate the dynamic response characteristics of the underground structures in saturated soils with high accuracy.The seismic response of the underground structure tends to be underestimated by using the single-phase medium model compared with using the fully coupling model,which provides a weaker confining action to the underground structure. 展开更多
关键词 UNDERGROUND structure saturated SOIL SEISMIC RESPONSE fluid-solid coupling dynamic model user-defined ELEMENT
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Integrable Couplings of Classical-Boussinesq Hierarchy and Its Hamiltonian Structure 被引量:4
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作者 夏铁成 《Communications in Theoretical Physics》 SCIE CAS CSCD 2010年第1期25-27,共3页
By using a Lie algebra, an integrable couplings of the classicai-Boussinesq hierarchy is obtained. Then, the Hamiltonian structure of the integrable couplings of the classical-Boussinesq is obtained by the quadratic-f... By using a Lie algebra, an integrable couplings of the classicai-Boussinesq hierarchy is obtained. Then, the Hamiltonian structure of the integrable couplings of the classical-Boussinesq is obtained by the quadratic-form identity. 展开更多
关键词 loop algebra integrable couplings Hamiltonian structure
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Residual Dipolar Couplings in Structure Determination of Natural Products 被引量:3
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作者 Gao-Wei Li Han Liu +2 位作者 Feng Qiu Xiao-Juan Wang Xin-Xiang Lei 《Natural Products and Bioprospecting》 CAS 2018年第4期279-295,共17页
The determination of natural products stereochemistry remains a formidable task.Residual dipolar couplings(RDCs)induced by anisotropic media are a powerful tool for determination of the stereochemistry of organic mole... The determination of natural products stereochemistry remains a formidable task.Residual dipolar couplings(RDCs)induced by anisotropic media are a powerful tool for determination of the stereochemistry of organic molecule in solution.This review will provide a short introduction on RDCs-based methodology for the structural elucidation of natural products.Special attention is given to the current availability of alignment media in organic solvents.The applications of RDCs for structural analysis of some examples of natural products were discussed and summarized.Graphical Abstract This review provides a short introduction on RDCs-based methodology for the structural elucidation of natural products.Special attention is given to the current availability of alignment media in organic solvents.The applications of RDCs for structural analysis of some examples of natural products were discussed and summarized. 展开更多
关键词 SPECTROSCOPY Residual dipolar couplings Alignment media structural elucidation Natural products
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Multi-component KN Hierarchy and Associated two Integrable Couplings as Well as Their Hamiltonian Structure 被引量:2
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作者 JIANG Xiao-wu LI Zhu 《Chinese Quarterly Journal of Mathematics》 CSCD 北大核心 2008年第3期415-422,共8页
Firstly, a vector loop algebra G3 is constructed, by use of it multi-component KN hierarchy is obtained. Further, by taking advantage of the extending vector loop algebras G6 and G9 of G3 the double integrable couplin... Firstly, a vector loop algebra G3 is constructed, by use of it multi-component KN hierarchy is obtained. Further, by taking advantage of the extending vector loop algebras G6 and G9 of G3 the double integrable couplings of the multi-component KN hierarchy are worked out respectively. Finally, Hamiltonian structures of obtained system are given by quadratic-form identity. 展开更多
关键词 KN hierarchy integrable couplings quadratic-form identity Hamiltonian structure
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Prolongation structure for nonlinear integrable couplings of a KdV soliton hierarchy 被引量:1
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作者 Yu Fa-Jun 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第1期18-23,共6页
In this paper, a new nonlinear integrable coupling system of the soliton hierarchy is presented. Prom the Lax pairs, the coupled KdV equations are constructed successfully. Based on the prolongation method of Wahlquis... In this paper, a new nonlinear integrable coupling system of the soliton hierarchy is presented. Prom the Lax pairs, the coupled KdV equations are constructed successfully. Based on the prolongation method of Wahlquist and Estabrook, we study the prolongation structure of the nonlinear integrable couplings of the KdV equation. 展开更多
关键词 nonlinear integrable coupling system prolongation structure KdV soliton hierarchy
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Study on coupling between deep and shallow structures of Xingtai area and some significant questions 被引量:1
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作者 顾梦林 刘保金 +1 位作者 赵成彬 孙振国 《Acta Seismologica Sinica(English Edition)》 CSCD 2000年第4期413-423,共11页
In the light of results from study on coupling between deep and shallow structures in Xingtai earthquake area during the 'Ninth Five-Year Plan' period and other previous results from deep seismic refraction/re... In the light of results from study on coupling between deep and shallow structures in Xingtai earthquake area during the 'Ninth Five-Year Plan' period and other previous results from deep seismic refraction/reflection and seismic prospecting of petroleum, we infer that there exist a series of shallow faults in the upper crust above the 8 km-deep detachment surface in Xingtai macroseismic focal region, where none of the faults, including Aixinzhuang fault reaches the Quaternary stratum, except that the Xinhe fault cuts through the mid-Pleistocene formation upwards. Aixinzhuang fault and other faults extend downwards into Xinhe fault whereas the Xinhe listric fault stretches downwards at a low dip angle into the detachment surface. The abyssal fault with high dip angle under the detachment surface cutting through the middle and lower crust to Moho is the causative fault for the large Xingtai earthquake, whose dislocation can cause strong earthquakes, shallow fault activity and the motion of surface material. The shallow faults in the upper crust are not causative faults for strong earthquakes, although they may be active faults. The existence of the detachment surface brings about a special relationship between shallow and deep structures, i.e. they are relatively independent of each other and have effects on each other It not only transmits partial energy and deformation between the upper and lower crust,but also has a certain decoupling effect. Finally we conclude that active faults do not necessarily reach the latest stratum, and the age of uppermost faulted stratum cannot represent the latest active period of the fault. This put to us a significant question in regard to the age determination and study of active faults. Other noticeable questions are also inferred to in this study. 展开更多
关键词 coupling between deep and shallow structures earthquake fault active fault
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Improved frequency modeling and solution for parallel liquid-filled pipes considering both fluid-structure interaction and structural coupling 被引量:3
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作者 Xumin GUO Chunliang XIAO +3 位作者 Hui MA Hui LI Xufang ZHANG Bangchun WEN 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2022年第8期1269-1288,共20页
The dynamic characteristics of a single liquid-filled pipe have been broadly studied in the previous literature.The parallel liquid-filled pipe(PLFP)system is also widely used in engineering,and its structure is more ... The dynamic characteristics of a single liquid-filled pipe have been broadly studied in the previous literature.The parallel liquid-filled pipe(PLFP)system is also widely used in engineering,and its structure is more complex than that of a single pipe.However,there are few reports about the dynamic characteristics of the PLFPs.Therefore,this paper proposes improved frequency modeling and solution for the PLFPs,involving the logical alignment principle and coupled matrix processing.The established model incorporates both the fluid-structure interaction(FSI)and the structural coupling of the PLFPs.The validity of the established model is verified by modal experiments.The effects of some unique parameters on the dynamic characteristics of the PLFPs are discussed.This work provides a feasible method for solving the FSI of multiple pipes in parallel and potential theoretical guidance for the dynamic analysis of the PLFPs in engineering. 展开更多
关键词 parallel liquid-filled pipe(PLFP) dynamic analysis improved frequency modeling and solution fluid-structure interaction(FSI) structure coupling
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Thermal-Fluid-Structure Coupling Analysis of Flexible Corrugated Cryogenic Hose 被引量:1
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作者 YANG Liang LIU Miao-er +6 位作者 LIU Yun LI Fang-qiu FAN Jia-kun LIU Fu-peng LU Zhao-kuan YANG Jian-ye YAN Jun 《China Ocean Engineering》 SCIE EI CSCD 2022年第4期658-665,共8页
This work presents a numerical investigation of the thermal–fluid–structure coupling behavior of the liquid natural gas(LNG)transported in the flexible corrugated cryogenic hose.A three-dimensional model of the corr... This work presents a numerical investigation of the thermal–fluid–structure coupling behavior of the liquid natural gas(LNG)transported in the flexible corrugated cryogenic hose.A three-dimensional model of the corrugated hose structure composed of multiple layers of different materials is established and coupled with turbulent LNG flow and heat transfer models in the commercial software ANSYS Workbench.The flow transport behavior,heat transfer across the hose layers,and structural response caused by the flow are analyzed.Parametric studies are performed to evaluate the impacts of inlet flow rate and thermal conductivity of insulation material on the temperature and structural stress of the corrugated hose.The study found that,compared with a regular operating condition,higher inlet flow velocities not only suppress the heat gain of the LNG but also lower the flow-induced structural stress.The insulation layer exhibits excellent performance in maintaining the temperature at the fluid–structure interface,showing little temperature change with respect to material thermal conductivity and ambient temperature.The simulation results may contribute to the research and design of the flexible corrugated cryogenic hoses and provide guidance for safer and more efficient field operations. 展开更多
关键词 flexible corrugated cryogenic hose LNG computational fluid dynamics thermal–fluid–structure coupling
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VIBRATION ANALYSIS OF TURBINE BASED ON FLUID-STRUCTURE COUPLING 被引量:11
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作者 LIU Demin LIU Xiaobing 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2008年第4期40-43,共4页
The vibration of a Francis turbine is analyzed with the additional quality matrix method based on fluid-structure coupling (FSC). Firstly, the vibration frequency and mode of blade and runner in air and water are ca... The vibration of a Francis turbine is analyzed with the additional quality matrix method based on fluid-structure coupling (FSC). Firstly, the vibration frequency and mode of blade and runner in air and water are calculated. Secondly, the influences to runner frequency domain by large flow, small flow and design flow working conditions are compared. Finally the influences to runner modes by centrifugal forces under three rotating speeds of 400 r/rain, 500 r/min and 600 r/rain are compared. The centrifugal force and small flow working condition have greatly influence on the vibration of small runner. With the increase of centrifugal force, the vibration frequency of the runner is sharply increased. Some order frequencies are even close to the runner natural frequency in the air. Because the low frequency vibration will severely damage the stability of the turbine, low frequency vibration of units should be avoided as soon as possible. 展开更多
关键词 Fluid-structure coupling Additional quality matrix Vibration Mode
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The Liouville integrable coupling system of the m-AKNS hierarchy and its Hamiltonian structure
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作者 岳超 杨耕文 许曰才 《Chinese Physics B》 SCIE EI CAS CSCD 2007年第3期595-598,共4页
In this paper a type of 9-dimensional vector loop algebra F is constructed, which is devoted to establish an isospectral problem. It follows that a Liouville integrable coupling system of the m-AKNS hierarchy is obtai... In this paper a type of 9-dimensional vector loop algebra F is constructed, which is devoted to establish an isospectral problem. It follows that a Liouville integrable coupling system of the m-AKNS hierarchy is obtained by employing the Tu scheme, whose Hamiltonian structure is worked out by making use of constructed quadratic identity. The method given in the paper can be used to obtain many other integrable couplings and their Hamiltonian structures. 展开更多
关键词 loop algebra integrable coupling Hamiltonian structure quadratic identity
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Electronic structures and magnetic couplings of B-, C-, and N-doped BeO
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作者 庞华 张莎 李发伸 《Chinese Physics B》 SCIE EI CAS CSCD 2013年第4期455-460,共6页
The electronic structures and magnetic properties of B-, C-, and N-doped BeO supercells are investigated by means of ab initio calculations using density functional theory. The magnetic exchange constants of C-doped B... The electronic structures and magnetic properties of B-, C-, and N-doped BeO supercells are investigated by means of ab initio calculations using density functional theory. The magnetic exchange constants of C-doped BeO at different doping levels are also calculated. A phenomenological band structure model based on p–d exchange-like p–p level repulsion between the dopants is proposed to explain the magnetic ground states in B-, C-, and N-doped BeO systems. The evolution from the antiferromagnetic phase to the ferromagnetic phase of C-doped BeO supercell with C concentration decreasing can also be well explained using this model. The findings in this study provide a simple guide for the design of band structure for a magnetic sp-electron semiconductor. 展开更多
关键词 electronic structure magnetic coupling FIRST-PRINCIPLES
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