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地震作用下海底悬跨管道动水作用力试验研究 被引量:4
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作者 李明高 李昕 周晶 《哈尔滨工程大学学报》 EI CAS CSCD 北大核心 2010年第5期564-569,共6页
为了拓展对海底悬跨管道在地震作用下水动力效应的认知,利用水下地震模拟系统开展了刚性管道在地震作用下的水下模型实验.测量了管道周围流场的变化和管道表面的动水压力,并采用Morison方程,按最小二乘原理得出管线的拖曳力系数和惯性... 为了拓展对海底悬跨管道在地震作用下水动力效应的认知,利用水下地震模拟系统开展了刚性管道在地震作用下的水下模型实验.测量了管道周围流场的变化和管道表面的动水压力,并采用Morison方程,按最小二乘原理得出管线的拖曳力系数和惯性力系数,讨论了它们与雷诺数Re、Keulegan-Carpenter数KC、水深及间隙比的关系.通过对试验数据分析得出:Re和KC对管线的受力影响显著;相对于波浪和海流,地震动包含的较高频率会对管道的动水作用力产生重要影响;本次试验工况下,水深和悬跨高度对管道的受力影响不明显. 展开更多
关键词 海底悬跨管线 动水作用力 模型试验 地震作用
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地震对海底悬跨管道动水力作用的实验研究 被引量:2
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作者 李明高 李昕 周晶 《水动力学研究与进展(A辑)》 CSCD 北大核心 2009年第6期747-753,共7页
利用水下地震模拟系统,开展了刚性管道在地震作用下的水下模型实验,量测了管道周围流场的变化和管道表面的动水压力。基于Morison方程建立了地震作用下海底悬跨管道的动水作用力模型,按最小二乘原理得出管道的拖曳力系数CD和惯性力系数C... 利用水下地震模拟系统,开展了刚性管道在地震作用下的水下模型实验,量测了管道周围流场的变化和管道表面的动水压力。基于Morison方程建立了地震作用下海底悬跨管道的动水作用力模型,按最小二乘原理得出管道的拖曳力系数CD和惯性力系数CM。通过对实测数据分析得出,雷诺数Re数和Kc数是影响管道受力的两个主要因素。分别对CD和CM随Re和Kc的变化趋势进行了拟合,得到CD和CM的定量表达公式。本次试验工况下,水深和悬跨高度对管道的受力影响不明显。 展开更多
关键词 海底悬跨管道 动水作用力 实验研究 地震
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Optimal rotor wear design in hypotrochoidal gear pump using genetic algorithm 被引量:9
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作者 KWON Soon-man KIM Chang-Hyun SHIN Joong-ho 《Journal of Central South University》 SCIE EI CAS 2011年第3期718-725,共8页
The wear rate between the rotors of a hypotrochoidal gear pump is characterized.Using the knowledge of shape design on the rotors,the contact stresses without hydrodynamic effect between the rotor teeth were evaluated... The wear rate between the rotors of a hypotrochoidal gear pump is characterized.Using the knowledge of shape design on the rotors,the contact stresses without hydrodynamic effect between the rotor teeth were evaluated through the calculation of the Hertzian contact stress.Based on the above results and the sliding velocity between the rotors,a genetic algorithm (GA) was used as an optimization technique forminimizing the wear rate proportional factor (WRPF).The result shows that the wear rate or the WRPF can be reduced considerably,e.g.approximately 12.8%,throughout the optimization using GA. 展开更多
关键词 gerotor hypotrochoidal gear pump Hertzian contact stress wear rate proportional factor genetic algorithm
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Computation of Ship Hydrodynamic Interaction Forces in Restricted Waters using Potential Theory 被引量:8
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作者 Xueqian Zhou Serge Sutulo C. Guedes Soares 《Journal of Marine Science and Application》 2012年第3期265-275,共11页
A computer code based on the double-body potential flow model and the classic source panel method has been developed to study various problems of hydrodynamic interaction between ships and other objects with solid bou... A computer code based on the double-body potential flow model and the classic source panel method has been developed to study various problems of hydrodynamic interaction between ships and other objects with solid boundaries including the seabed. A peculiarity of the proposed implementation is the application of the so-called "moving-patch" method for simulating steady boundaries of large extensions. The method is based on an assumption that at any moment just the part of the boundary ("moving patch") which lies close to the interacting ship is significant for the near-field interaction. For a specific case of the fiat bottom, comparative computations were performed to determine optimal dimensions of the patch and of the constituting panels based on the trade-off between acceptable accuracy and reasonable efficiency. The method was applied to estimate the sway force on a ship hull moving obliquely across a dredged channel. The method was validated for a case of ship-to-ship interaction when tank data were available. This study also contains a description of a newly developed spline approximation algorithm necessary for creating consistent discretizations of ship hulls with various degrees of refinement. 展开更多
关键词 ship hydrodynamic interaction restricted waters moving panelled patch method potential theory
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Physical simulation of hydrodynamic conditions in high rank coalbed methane reservoir formation 被引量:5
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作者 WANG Bo JIANG Bo +5 位作者 LIU Lei ZHENG Gui-qiang QIN Yong WANG Hong-yan LIU Hong-lin LI Gui-zhong 《Mining Science and Technology》 EI CAS 2009年第4期435-440,共6页
In order to select highly productive and enriched areas of high rank coalbed methane reservoirs, based on hydrologic geology as one of the main factors controlling coalbed methane (CBM) reservoir formations, the eff... In order to select highly productive and enriched areas of high rank coalbed methane reservoirs, based on hydrologic geology as one of the main factors controlling coalbed methane (CBM) reservoir formations, the effect of hydrodynamic forces controlling CBM reservoir formations was studied by a physical simulation experiment in which we used CBM reservoir simulation facilities. The hydrodynamic conditions of high coal rank reservoirs in the Qinshui basin were analyzed. Our experiment shows the following results: under strong hydrodynamic alternating action, 6C~ of coalbed methane reservoir changed from the start at -2.95% ~ -3.66%, and the lightening process occurred in phases; the CI-I4 volume reduced from 96.35% to 12.42%; the CO2 vo- lume decreased from 0.75% in sample 1 to 0.68% in sample 2, then rose to 1.13% in sample 3; the N2 volume changed from 2.9% in sample 1 to 86.45% in sample 3. On one hand, these changes show the complexity of CBM reservoir formation; on the other hand, they indicate that strong hydrodynamic actions have an unfavorable impact on CBM reservoir formation. It was found that the gas volume and hydrodynamic intensity were negatively correlated and low hydrodynamic flow conditions might result in highly productive and enriched areas of high rank CBM. 展开更多
关键词 high coal rank coalbed methane reservoir hydrodynamic condition physical simulation Qinshui basin
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Effects of Body Weight and Water Temperature on Maximum Food Consumption of JuvenileSebastodes fuscescens (Houttuyn) 被引量:3
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作者 谢松光 杨红生 +1 位作者 周毅 张福绥 《Chinese Journal of Oceanology and Limnology》 SCIE CAS CSCD 2004年第1期83-88,共6页
Maximum rate of food consumption (C max) was determined for juvenile Sebastodes fuscescens (Houttuyn) at water temperature of 10, 15, 20 and 25℃. The relationships of C max to the body weight (W) at each temperature ... Maximum rate of food consumption (C max) was determined for juvenile Sebastodes fuscescens (Houttuyn) at water temperature of 10, 15, 20 and 25℃. The relationships of C max to the body weight (W) at each temperature were described by a power equation: lnC max = a + b lnW. Covariance analysis revealed significant interaction of the temperature and body weight. The relationship of adjusted C max to water temperature (T) was described by a quadratic equation: C max =-0.369 + 0.456T - 0.0117T 2. The optimal feeding temperature calculated from this equation was 19.5℃. The coefficients of the multiple regression estimation relating C max to body weight (W) and water temperature (T) were given in the Table 2. 展开更多
关键词 scorpaenid fish Sebastodes fuscescens maximum food consumption body weight TEMPERATURE SIMULATION
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Computational Study on Interaction Between Swimming Fish and Drifting Vortices Behind the Cylinder 被引量:1
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作者 TONG Ying XIA Jian +1 位作者 CHEN Long XUE Haotian 《Transactions of Nanjing University of Aeronautics and Astronautics》 EI CSCD 2022年第1期108-120,共13页
To predict the flow evolution of fish swimming problems,a flow solver based on the immersed boundary lattice Boltzmann method is developed.A flexible iterative algorithm based on the framework of implicit boundary for... To predict the flow evolution of fish swimming problems,a flow solver based on the immersed boundary lattice Boltzmann method is developed.A flexible iterative algorithm based on the framework of implicit boundary force correction is used to save the computational cost and memory,and the momentum forcing is described by a simple direct force formula without complicated integral calculation when the velocity correction at the boundary node is determined.With the presented flow solver,the hydrodynamic interaction between the fish-induced dynamic stall vortices and the incoming vortices in unsteady flow is analyzed.Numerical simulation results unveil the mechanism of fish exploiting vortices to enhance their own hydrodynamic performances.The superior swimming performances originate from the relative movement between the“merged vortex”and the locomotion of the fishtail,which is controlled by the phase difference.Formation conditions of the“merged vortex”become the key factor for fish to exploit vortices to improve their swimming performance.We further discuss the effect of the principal components of locomotion.From the results,we conclude that lateral translation plays a crucial role in propulsion while body undulation in tandem with rotation and head motion reduce the locomotor cost. 展开更多
关键词 immerse boundary lattice Boltzmann method complex deformable boundary fluid-fish interaction hydrodynamic mechanism bionic propulsion
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Analysis of the wave propagation and the flow char-acteristics around cylinder due to dam break water 被引量:1
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作者 TANG Yuezhao WANG Yang +1 位作者 WANG Wanhu WANG Hongbing 《Marine Science Bulletin》 CAS 2020年第2期23-35,共13页
Dam breaks are easily triggered by heavy rains due to extreme weather such as typhoons,causing serious economic losses and casualties.Through the investigation of Chaoshan coastal zone,it is found that there have been... Dam breaks are easily triggered by heavy rains due to extreme weather such as typhoons,causing serious economic losses and casualties.Through the investigation of Chaoshan coastal zone,it is found that there have been dam breaks caused by geological disasters.In the design and management of water conservancy project,it is very important to analyze the effect of disastrous flow caused by dam break on the building.In this paper,the effect of the dam break flow on the cylinder is simulated numerically by taking the water body with initial velocity as the dam break flow,and the flow characteristics around the cylinder and the water body are analyzed.Numerical model adopted the Renault Average Navier-Stokes(RANS)model and volume of fluid(VOF)method to analyze the evolution of free water surface.It is found that there are different patterns of water movement in the process of dam break resulting in the creation of several isolated convex hull forms of dam-break waves on the stationary water surface,which causes longer disturbances in the water near the cylinder and makes the cylinder more vulnerable to fatigue damage.The increase of the height of the dam breaking water will lead to the increase of the hydrodynamic force on the pipeline.This study has guiding significance for the study of dam break and dam body design in water conservancy projects. 展开更多
关键词 dam break wave impact flow characteristics hydrodynamic load
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Dynamic Interaction of Parallel Moving Ships in Close Proximity 被引量:2
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作者 M. Rafiqul Islam Motohiko Murai 《Journal of Marine Science and Application》 2013年第3期261-271,共11页
Nowadays,there are many studies conducted in the field of marine hydrodynamics which focus on two vessels traveling and floating in sufficiently close proximity to experience significant interactions.The hydrodynamic ... Nowadays,there are many studies conducted in the field of marine hydrodynamics which focus on two vessels traveling and floating in sufficiently close proximity to experience significant interactions.The hydrodynamic behavior of parallel moving ships in waves is an interesting and important topic of late.A numerical investigation has been carried out for the prediction of wave exciting forces and motion responses of parallel moving ships in regular waves.The numerical solution was based on 3D distribution technique and using the linear wave theory to determine the exciting forces and ship's motion.The speed effects have been considered in the Green function for more realistic results.The numerical computations of wave exciting forces and motion responses were carried out for a Mariner and Series 60 for the purpose of discovering different Froude numbers and different separation distances in head sea conditions.Based on the numerical computations,it was revealed that the sway,roll and yaw have a significant effect due to hydrodynamic interaction. 展开更多
关键词 3D source distribution dynamic interaction close proximity parallel moving ships ship motion
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A CFD Based Investigation of the Unsteady Hydrodynamic Coefficients of 3-D Fins in Viscous Flow 被引量:3
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作者 Nazir Zulfiqar 苏玉民 王兆立 《Journal of Marine Science and Application》 2010年第3期250-255,共6页
The motion of the fins and control surfaces of underwater vehicles in a fluid is an interesting and challenging research subject.Typically the effect of fin oscillations on the fluid flow around such a body is highly ... The motion of the fins and control surfaces of underwater vehicles in a fluid is an interesting and challenging research subject.Typically the effect of fin oscillations on the fluid flow around such a body is highly unsteady, generating vortices and requiring detailed analysis of fluid-structure interactions.An understanding of the complexities of such flows is of interest to engineers developing vehicles capable of high dynamic performance in their propulsion and maneuvering.In the present study, a CFD based RANS simulation of a 3-D fin body moving in a viscous fluid was developed.It investigated hydrodynamic performance by evaluating the hydrodynamic coefficients (lift, drag and moment) at two different oscillating frequencies.A parametric analysis of the factors that affect the hydrodynamic performance of the fin body was done, along with a comparison of results from experiments.The results of the simulation were found in close agreement with experimental results and this validated the simulation as an effective tool for evaluation of the unsteady hydrodynamic coefficients of 3-D fins.This work can be further be used for analysis of the stability and maneuverability of fin actuated underwater vehicles. 展开更多
关键词 oscillating 3-D fin RANS hydrodynamic performance viscous flow
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Dynamics study on effect of temperature to Nitrous nitrification reaction of coking wastewater 被引量:2
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作者 单明军 张海灵 吕艳丽 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 2007年第3期311-315,共5页
Dynamic effects of NO2--N accumulation were discussed owing to temperature.In different temperature,a series of vmax and Ks were found considering the relation between the temperature and rate of ammonia nitrogen tran... Dynamic effects of NO2--N accumulation were discussed owing to temperature.In different temperature,a series of vmax and Ks were found considering the relation between the temperature and rate of ammonia nitrogen transforming into NO2--N.The kinetics models,which reflected the conditions of ammonia nitrogen transforming into NO2--N in the treatment process of the coking wastewater,were built up.The characteristic coefficient temperature was determined according to Arrhenius. 展开更多
关键词 nitrite nitrogen coking wastewater KINETICS TEMPERATURE
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基于Morison方程的三维地震作用下海底悬跨管道计算模型 被引量:7
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作者 李昕 董汝博 +1 位作者 冯新 周晶 《工程力学》 EI CSCD 北大核心 2009年第4期197-201,213,共6页
海底悬跨管道的地震响应与地震动输入方向有关。基于Morison方程,提出了考虑地震不同输入方向的海底悬跨管道的动水作用力模型,并推导了有限元离散方程。建立三维有限元模型模拟模型试验工况,进行了正弦波和ElCentro模拟地震波输入下海... 海底悬跨管道的地震响应与地震动输入方向有关。基于Morison方程,提出了考虑地震不同输入方向的海底悬跨管道的动水作用力模型,并推导了有限元离散方程。建立三维有限元模型模拟模型试验工况,进行了正弦波和ElCentro模拟地震波输入下海底管道的动力分析。考虑地震动输入方向的Morison动水作用力模型计算海底悬跨管道动力反应的数值结果与模型试验结果符合得较好。 展开更多
关键词 港口 海岸及近海工程 海底悬跨管道 动水作用力模型 地震反应 数值分析
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Experimental study on hydrodynamic effect of orientation micro-pored surfaces 被引量:20
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作者 BAI ShaoXian1,2, PENG XuDong1,2, LI JiYun1,2 & MENG XiangKai1,2 1College of Mechanical Engineering, Zhejiang University of Technology, Hangzhou 310032, China 2Key Laboratory of Special Purpose Equipment and Advanced Processing Technology, Ministry of Education, Zhejiang University of Technology, Hangzhou 310032, China 《Science China(Technological Sciences)》 SCIE EI CAS 2011年第3期659-662,共4页
The orientation of the dimple increases the flow distance in the dimple and produces fluid cumulative effect in the dimple length direction, which leads to obvious hydrodynamic effect as a result. In order to investig... The orientation of the dimple increases the flow distance in the dimple and produces fluid cumulative effect in the dimple length direction, which leads to obvious hydrodynamic effect as a result. In order to investigate the hydrodynamic effect of orientation dimples, a series of experiments was carried out on a ring-on-ring test. Multi-pored faces were tested with different dimple inclination angles and slender ratios. Film thickness and frictional torque were measured under different conditions of load and rotation speed. Experimental results showed that the orientation dimple could produce obvious dynamic effect by change of the flow direction and the increasing dimple orientation leads to increase of the load capability. The hydrodynamic effect strongly depends on dimple orientation parameters such as inclination angle and slender ratio. A larger load capability can be available by increasing dimple orientation and rotation speed. Experimental results agreed well with the theory that orientation micro-pores can significantly improve hydrodynamic performance of surfaces. 展开更多
关键词 orientation micro-pore multi-pored face hydrodynamic effect
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Dissipative particle dynamics thermostat: a novel thermostat for molecular dynamics simulation of liquid crystals with Gay–Berne potential 被引量:3
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作者 Yuting Ouyang Liang Hao +1 位作者 Yanping Ma Hongxia Guo 《Science China Chemistry》 SCIE EI CAS CSCD 2015年第4期694-707,共14页
The Gay-Berne (GB) model has been proved to be highly successful in the simulation of liquid crystal phases via both molec- ular dynamics (MD) and nonequilibrium molecular dynamics (NEMD). However, the conventio... The Gay-Berne (GB) model has been proved to be highly successful in the simulation of liquid crystal phases via both molec- ular dynamics (MD) and nonequilibrium molecular dynamics (NEMD). However, the conventional thermostats used in the simulations of GB systems, such as Nose-Hoover and Langevin thermostats, have serious shortcomings especially in NEMD simulations. Recently, dissipative particle dynamics (DPD) has established itself as a useful thermostat for soft matter simulations, whereas the application of DPD thermostat in (NE)MD simulations is limited to the spherically isotropic potential models, such as the Lennard-Jones model. Considering the virtues of the DPD thermostat, that is, local, momentum conserved, and Galilean invariant, we extend the DPD thermostat to the non-spherical GB model. It is interesting to find that the translational DPD and rotational DPD thermostats can be used in the GB system independently and both can achieve the thermostatting effects. Also, we compared the performance of the DPD thermostat with other commonly used thermostats in NEMD simulations by investigating the streaming velocity profiles and the dynamics of phase separation in a typical but simple binary GB mixture under shear field. It is revealed that the known virtues of DPD thermostats, such as Galilean invariant, shear velocity profile-unbiased, and unscreened hydrodynamic interactions, are still intact when applying to GB systems. Finally, the appro- priate parameters for the DPD thermostat in the GB system are identified for future investigations. 展开更多
关键词 molecular dynamics simulation liquid crystal THERMOSTAT dissipative particle dynamics Gay-Berne potential
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Experimental and numerical investigation of the roll motion behavior of a floating liquefied natural gas system 被引量:3
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作者 ZHAO WenHua YANG JianMin +2 位作者 HU ZhiQiang XIAO LongFei PENG Tao 《Science China Chemistry》 SCIE EI CAS 2013年第3期629-644,共16页
The present paper does an experimental and numerical investigation of the hydrodynamic interaction and the response of a single point turret-moored Floating Liquefied Natural Gas(FLNG) system,which is a new type of fl... The present paper does an experimental and numerical investigation of the hydrodynamic interaction and the response of a single point turret-moored Floating Liquefied Natural Gas(FLNG) system,which is a new type of floating LNG(Liquid Natural Gas) platform that consists of a ship-type FPSO hull equipped with LNG storage tanks and liquefaction plants.In particular,this study focuses on the investigation of the roll response of FLNG hull in free-decay motions,white noise waves and also in irregular waves.Model tests of the FLNG system in 60%H filling condition excited by both white noise waves and irregular waves combined with steady wind and current have been carried out.Response Amplitude Operators(RAOs) and time histories of the responses are obtained for sway,roll and yaw motions.Obvious Low Frequency(LF) components of the roll motions are observed,which may be out of expectation.To facilitate the physical understanding of this phenomenon,we filter the roll motions at the period of 30 s into two parts:the Wave Frequency(WF) motions and the Low Frequency(LF) motions respectively.The results indicate that the LF motions are closely related to the sway and yaw motions.Possible reasons for the presence of the LF motions of roll have been discussed in detail,through the comparison with the sway and yaw motions.As for the numerical part,the simulation of the modeled case is conducted with the help of the software SESAM.A good agreement between experiments and calculations is reported within the scope of trends.However,the numerical simulations should be further improved for the prediction of the FLNG system in the heading sea. 展开更多
关键词 FLNG HYDRODYNAMICS roll motion behavior model tests coupled effects
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Sensitivity analysis of fatigue life prediction for deepwater steel lazy wave catenary risers 被引量:22
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作者 YANG HeZhen LI HuaJun 《Science China(Technological Sciences)》 SCIE EI CAS 2011年第7期1881-1887,共7页
Steel lazy wave catenary riser (SLWR) has been an attractive choice for deepwater oil field developments. However, fatigue is a critical issue in assessing the feasibility of applying SLWR to large motion vessels such... Steel lazy wave catenary riser (SLWR) has been an attractive choice for deepwater oil field developments. However, fatigue is a critical issue in assessing the feasibility of applying SLWR to large motion vessels such as floating production storage and offloading (FPSO) or semi-submersibles. In this work, the time-domain fatigue analysis of SLWR was adopted for better representing the structural nonlinearity, fluid load nonlinearity and riser-soil nonlinear interaction. The Palmgren-Miner rule was employed for the fatigue life prediction along the riser length. The main purpose of this analysis is to present sensitivity analyses of SLWR fatigue life under various input parameters, which include the structural damping, the hydrodynamic coefficients along the riser, the seabed stiffness, the vessel motions, etc. The analyses indicated the strong dependence of the riser fatigue life on these parameters. The results can help designers to understand the dynamic behavior of the SLWR and provide guidance for selection of some critical parameters that are used in the fatigue design. 展开更多
关键词 catenary risers fatigue life time-domain analysis nonlinear dynamic analysis f'mite element method
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Visualization Investigation on Flowing Condensation in Horizontal Small Channels with Liquid Separator 被引量:2
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作者 ZHANG Xuan JIA Li +1 位作者 DANG Chao PENG Qi 《Journal of Thermal Science》 SCIE EI CAS CSCD 2018年第1期48-54,共7页
A simultaneous visualization and measurement experiment was carried out to investigate condensation flow pat- terns and condensing heat transfer characteristics of refrigerant R14 lb in parallel horizontal multi-chann... A simultaneous visualization and measurement experiment was carried out to investigate condensation flow pat- terns and condensing heat transfer characteristics of refrigerant R14 lb in parallel horizontal multi-channels with liquid-vapor separator. The hydraulic diameter of each channel was 1.5 mm and the channel length was 100 ram. The refrigerant vapor flowing in the small channels was cooled by cooling water. The parallel horizontal mul- ti-channels were covered with a transparent silica glass for visualization of flow patterns. Experiments were per- formed at different inlet superheat temperatures (ranging from 3~C to 7~C). Mass velocity was in the range of 82.37 kg mZs1 to 35.56 kg m-2s1. It was found that there were three different flow patterns through the mul- ti-channels with the increase of mass velocity. The flow patterns in each channel pass almost tended to be same and all of them were annular flows.' The efficiency of the liquid-vapor separator with U-type was related to vapor mass velocity and the pressure in the small channels. It was also found that the heat transfer coefficient increased with the increase of the mass velocity while the cooling water mass flow rate increased. It increased to a top point and then decreased. It increased with the increase of superheat in the low superheat temperature region. 展开更多
关键词 CONDENSATION VISUALIZATION multi-channels liquid-vapor separation
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Diffusion behavior of polyelectrolytes in dilute solution: coupling effects of hydrodynamic and Coulomb interactions
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作者 LIU LiJun CHEN JiZhong +2 位作者 CHEN WenDuo LI LiangYi AN LiJia 《Science China Chemistry》 SCIE EI CAS 2014年第7期1048-1052,共5页
The diffusion behavior of polyelectrolytes in dilute salt-free solution is studied through a hybrid mesoscale simulation technique that combines the molecular dynamics method and the multiparticle collision dynamics a... The diffusion behavior of polyelectrolytes in dilute salt-free solution is studied through a hybrid mesoscale simulation technique that combines the molecular dynamics method and the multiparticle collision dynamics approach.To elucidate the effects of hydrodynamic interactions(HI),we compare results for hydrodynamic and random solvents.When HI are taken into account,we find that the chain diffusivity decreases initially and then increases gradually with the increasing strength of the Coulomb interaction.By contrast,when HI are switched off,the electrostatic-dependent diffusivity shows three distinct regions,and a plateau of approximately constant diffusivity manifests between two decreasing regions.The findings reveal that the dynamics of polyelectrolytes in dilute solution depend on the coupling effects of hydrodynamic and Coulomb interactions,and that these dynamics can be understood by considering the conformational changes of chains,the counterion condensation,and the dynamics of counterions. 展开更多
关键词 polyelectrolytes diffusion coefficient hydrodynamic interactions Coulomb interactions Bjerrum length
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Molecular Mechanism of the Early Stage of Amyloidogenic Hexapeptides(NFGAIL) Aggregation
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作者 施碧云 周波 +2 位作者 蔡卓伟 修鹏 杨再兴 《Communications in Theoretical Physics》 SCIE CAS CSCD 2013年第10期515-520,共6页
Peptides/proteins aggregation can give rise to pathological conditions of many human diseases.Small partially ordered oligomers formed in the early stage of aggregation,rather than mature fibrils,are thought to be the... Peptides/proteins aggregation can give rise to pathological conditions of many human diseases.Small partially ordered oligomers formed in the early stage of aggregation,rather than mature fibrils,are thought to be the main toxicity agent for the living cell.Thus,understanding the pathway and the underlying physical mechanism in the early stage of aggregation is very important for prevention and treatment of these protein functional diseases.Herein we use all-atom molecular dynamics simulations to study the aggregation of four NFGAIL hexapeptides(NFGAIL peptide is a core segment of human islet amyloid polypeptide and exhibits similar aggregation kinetics as the full-length polypeptide).We observe that the peptide monomers in water mainly adopt non-structural coil configurations;the four peptides which are randomly placed in water aggregate spontaneously to partially ordered oligomer(β-sheets)through dimerization or trimerization,with the dimerization predominated.Both parallel and anti-parallelβ-sheets are observed.The hydrophobic interactions drive the initial peptides associations,and the subsequent conformational fluctuations promote the formation of more hydrogen bonds between the dangling hydrogen sites in the main chains of peptides. 展开更多
关键词 peptides aggregation dimerization and trimerization hydrophobic interactions molecular dy-namics simulations
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