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Infrared spectroscopic analysis of O-H bond dynamics in one-dimensional confined water and bulk water
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作者 ZHANG Lei WANG Tian-Qi FAN Yan-Ping 《红外与毫米波学报》 北大核心 2025年第1期78-85,共8页
In sub nanometer carbon nanotubes,water exhibits unique dynamic characteristics,and in the high-frequency region of the infrared spectrum,where the stretching vibrations of the internal oxygen-hydrogen(O-H)bonds are c... In sub nanometer carbon nanotubes,water exhibits unique dynamic characteristics,and in the high-frequency region of the infrared spectrum,where the stretching vibrations of the internal oxygen-hydrogen(O-H)bonds are closely related to the hydrogen bonds(H-bonds)network between water molecules.Therefore,it is crucial to analyze the relationship between these two aspects.In this paper,the infrared spectrum and motion characteristics of the stretching vibrations of the O-H bonds in one-dimensional confined water(1DCW)and bulk water(BW)in(6,6)single-walled carbon nanotubes(SWNT)are studied by molecular dynamics simulations.The results show that the stretching vibrations of the two O-H bonds in 1DCW exhibit different frequencies in the infrared spectrum,while the O-H bonds in BW display two identical main frequency peaks.Further analysis using the spring oscillator model reveals that the difference in the stretching amplitude of the O-H bonds is the main factor causing the change in vibration frequency,where an increase in stretching amplitude leads to a decrease in spring stiffness and,consequently,a lower vibration frequency.A more in-depth study found that the interaction of H-bonds between water molecules is the fundamental cause of the increased stretching amplitude and decreased vibration frequency of the O-H bonds.Finally,by analyzing the motion trajectory of the H atoms,the dynamic differences between 1DCW and BW are clearly revealed.These findings provide a new perspective for understanding the behavior of water molecules at the nanoscale and are of significant importance in advancing the development of infrared spectroscopy detection technology. 展开更多
关键词 one-dimensional confined water infrared spectroscopy hydrogen bonds
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One-dimensional consolidation of double-layered soil with non-Darcian flow described by exponent and threshold gradient 被引量:10
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作者 李传勋 谢康和 +1 位作者 胡安峰 胡白香 《Journal of Central South University》 SCIE EI CAS 2012年第2期562-571,共10页
Based on non-Darcian flow law described by exponent and threshold gradient within a double-layered soil, the classic theory of one-dimensional consolidation of double-layered soil was modified to consider the change o... Based on non-Darcian flow law described by exponent and threshold gradient within a double-layered soil, the classic theory of one-dimensional consolidation of double-layered soil was modified to consider the change of vertical total stress with depth and time together. Because of the complexity of governing equations, the numerical solutions were obtained in detail by finite difference method. Then, the numerical solutions were compared with the analytical solutions in condition that non-Darcian flow law was degenerated to Dary's law, and the comparison results show that numerical solutions are reliable. Finally, consolidation behavior of double-layered soil with different parameters was analyzed, and the results show that the consolidation rate of double-layered soil decreases with increasing the value of exponent and threshold of non-Darcian flow, and the exponent and threshold gradient of the first soil layer greatly influence the consolidation rate of double-layered soil. The larger the ratio of the equivalent water head of external load to the total thickness of double-layered soil, the larger the rate of the consolidation, and the similitude relationship in classical consolidation theory of double-layered soil is not satisfied. The other consolidation behavior of double-layered soil with non-Darcian flow is the same as that with Darcy's law. 展开更多
关键词 one-dimensional consolidation double-layered soil non-Darcian flow depth dependent vertical total stress timedependent loading
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One-dimensional nonlinear consolidation analysis of soil with continuous drainage boundary 被引量:11
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作者 ZONG Meng-fan TIAN Yi +3 位作者 LIANG Rong-zhu WUWen-bing XU Mei-juan MEI Guo-xiong 《Journal of Central South University》 SCIE EI CAS CSCD 2022年第1期270-281,共12页
Following the assumptions proposed by MESRI and ROKHSAR,the one-dimensional nonlinear consolidation problem of soil under constant loading is studied by introducing continuous drainage boundary.The numerical solution ... Following the assumptions proposed by MESRI and ROKHSAR,the one-dimensional nonlinear consolidation problem of soil under constant loading is studied by introducing continuous drainage boundary.The numerical solution is derived by using finite difference method and its correctness is assessed by comparing with existing analytical and numerical solutions.Based on the present solution,the effects of interface parameters,stress ratios(i.e.,final effective stress over initial effective stress,N_(σ))and the ratio c_(c)/c_(k)of compression index to permeability index on the consolidation behavior of soil are studied in detail.The results show that,the characteristics of one-dimensional nonlinear consolidation of soil are not only related to c_(c)/c_(k)and N_(σ),but also related to boundary conditions.In the engineering practice,the soil drainage rate of consolidation process can be designed by adjusting the values of interface parameters. 展开更多
关键词 one-dimensional nonlinear consolidation continuous drainage boundary finite difference method interface parameter
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Analytical solution to one-dimensional consolidation in unsaturated soils under sinusoidal cyclic loading
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作者 冯君 巫锡勇 +1 位作者 朱宝龙 杨期祥 《Journal of Central South University》 SCIE EI CAS CSCD 2015年第2期646-653,共8页
An analytical solution was presented to the unsaturated soil with a finite thickness under confinement in the lateral direction and sinusoidal cyclic loading in the vertical direction based on Fredlund's one-dimen... An analytical solution was presented to the unsaturated soil with a finite thickness under confinement in the lateral direction and sinusoidal cyclic loading in the vertical direction based on Fredlund's one-dimensional consolidation equation for unsaturated soil. The transfer relationship between the state vectors at the top surface and any depth was gained by applying the Laplace transform and Cayley-Hamilton mathematical methods to the governing equations of water and air, Darcy's law and Fick's law. The excess pore-air and pore-water pressures and settlement in the Laplace-transformed domain were obtained by using the Laplace transform with the initial and boundary conditions. The analytical solutions of the excess pore-air and pore-water pressures at any depth and settlement were obtained in the time domain by performing the inverse Laplace transforms. A typical example illustrates the consolidation characteristics of unsaturated soil under sinusoidal loading from analytical results. Finally, comparisons between the analytical solutions and results of the numerical method indicate that the analytical solution is correct. 展开更多
关键词 unsaturated soil analytical solution one-dimensional consolidation excess pore-water pressure excess pore-air pressure SETTLEMENT sinusoidal cyclic loading
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Influence of expanded polystyrene size on deformation characteristics of light weight soil 被引量:15
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作者 侯天顺 《Journal of Central South University》 SCIE EI CAS 2012年第11期3320-3328,共9页
Deformation characteristics of light weight soil with different EPS (expanded polystyrene) sizes were investigated by consolidation tests.The results show that the confined stress-strain relation curve is in S shape,w... Deformation characteristics of light weight soil with different EPS (expanded polystyrene) sizes were investigated by consolidation tests.The results show that the confined stress-strain relation curve is in S shape,which has a good homologous relation with e-p curve and e-lgp curve,and three types of curves reflect obvious structural characteristics of light weight soil.When cement mixed ratio and EPS volume ratio are the same for different specimens,structural strength decreases with the increase of EPS size,but compressibility indexes basically keep unchanged within the structural strength.The settlement of light weight soil can be divided into instantaneous settlement and primary consolidation settlement.It has no obvious rheology property,and 90% of total consolidation deformation can be finished in 1 min.Settlement-time relation of light weight soil can be predicted by the hyperbolic model.S-lgt curve of light weight soil is not in anti-S shape.It is proved that there is no secondary consolidation section,so consolidation coefficient cannot be obtained by time logarithm method.Structural strength and unit price decrease with the increase of EPS size,but the reducing rate of the structural strength is lower than that of the unit price,so the cost of mixed soil can be reduced by increasing the EPS size.The EPS beads with 3-5 mm in diameter are suggested to be used in the construction process,and the prescription of mixed soil can be optimized. 展开更多
关键词 light weight soil expanded polystyrene (EPS) size effect one-dimensional consolidation theory compressibility index structural strength consolidation test
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Mathematical models and expert system for grate-kiln process of iron ore oxide pellet production.Part Ⅱ:Rotary kiln process control 被引量:7
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作者 范晓慧 王祎 陈许玲 《Journal of Central South University》 SCIE EI CAS 2012年第6期1724-1727,共4页
Rotary kiln process for iron ore oxide pellet production is hard to detect and control.Construction of one-dimensional model of temperature field in rotary kiln was described.And the results lay a solid foundation for... Rotary kiln process for iron ore oxide pellet production is hard to detect and control.Construction of one-dimensional model of temperature field in rotary kiln was described.And the results lay a solid foundation for online control.Establishment of kiln process control expert system was presented,with maximum temperature of pellet and gas temperature at the feed end as control cores,and interval estimate as control strategy.Software was developed and put into application in a pellet plant.The results show that control guidance of this system is accurate and effective.After production application for nearly one year,the compressive strength and first grade rate of pellet are increased by 86 N and 2.54%,respectively,while FeO content is 0.05% lowered.This system can reveal detailed information of real time kiln process,and provide a powerful tool for online control of pellet production. 展开更多
关键词 mathematical model expert system one-dimensional temperature field rotary kiln iron ore oxide pellet
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Laboratory study on geotechnical characteristics of marine coral clay 被引量:5
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作者 JIANG Chun-yong DING Xuan-ming +2 位作者 CHEN Xin-sheng FANG Hua-qiang ZHANG Yu 《Journal of Central South University》 SCIE EI CAS CSCD 2022年第2期572-581,共10页
The hydraulic reclamation coral clay is a new type of clay,formed during the sorting process of coral island reef reclamation.The foundation of the hydraulic reclamation coral reef consists of coral sand,silt,and clay... The hydraulic reclamation coral clay is a new type of clay,formed during the sorting process of coral island reef reclamation.The foundation of the hydraulic reclamation coral reef consists of coral sand,silt,and clay.The part of the particles with particle size less than 0.075 mm contain more than 50%forms clay.As a new type of clay,the geotechnical properties were rarely reported in previous studies.In this paper,the physical and mechanical properties,microstructure and mineral composition were comprehensively researched by a series of laboratory tests.The results show that coral clay is a low liquid limit clay with high pore ratio and high saturation.From the aspect of mineral compositions,the coral clay studied consists of calcite and aragonite,while the chemical composition of it is calcium carbonate.The void ratio has a significant effect on the compressive properties of coral clay.With the increase of the void ratio,the compression coefficient a_(1-2)and compression index C_(c)gradually increase,and the compression modulus Es gradually decreases.The undrained stress−strain curve of coral clay shows a strain-softening behavior,and the peak strength and residual strength are positively linear correlated with confining pressure. 展开更多
关键词 coral clay X-RAY microstructure one-dimensional compression triaxial compression
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Study on the prediction and inverse prediction of detonation properties based on deep learning 被引量:5
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作者 Zi-hang Yang Ji-li Rong Zi-tong Zhao 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2023年第6期18-30,共13页
The accurate and efficient prediction of explosive detonation properties has important engineering significance for weapon design.Traditional methods for predicting detonation performance include empirical formulas,eq... The accurate and efficient prediction of explosive detonation properties has important engineering significance for weapon design.Traditional methods for predicting detonation performance include empirical formulas,equations of state,and quantum chemical calculation methods.In recent years,with the development of computer performance and deep learning methods,researchers have begun to apply deep learning methods to the prediction of explosive detonation performance.The deep learning method has the advantage of simple and rapid prediction of explosive detonation properties.However,some problems remain in the study of detonation properties based on deep learning.For example,there are few studies on the prediction of mixed explosives,on the prediction of the parameters of the equation of state of explosives,and on the application of explosive properties to predict the formulation of explosives.Based on an artificial neural network model and a one-dimensional convolutional neural network model,three improved deep learning models were established in this work with the aim of solving these problems.The training data for these models,called the detonation parameters prediction model,JWL equation of state(EOS)prediction model,and inverse prediction model,was obtained through the KHT thermochemical code.After training,the model was tested for overfitting using the validation-set test.Through the model-accuracy test,the prediction accuracy of the model for real explosive formulations was tested by comparing the predicted value with the reference value.The results show that the model errors were within 10%and 3%for the prediction of detonation pressure and detonation velocity,respectively.The accuracy refers to the prediction of tested explosive formulations which consist of TNT,RDX and HMX.For the prediction of the equation of state for explosives,the correlation coefficient between the prediction and the reference curves was above 0.99.For the prediction of the inverse prediction model,the prediction error of the explosive equation was within 9%.This indicates that the models have utility in engineering. 展开更多
关键词 Deep learning Detonation properties KHT thermochemical Code JWL equation of states Artificial neural network one-dimensional convolutional neural network
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Theoretical Analysis on Thermal Choking in Expanding RBCC Duct 被引量:1
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作者 吴亚可 何国强 刘佩进 《Defence Technology(防务技术)》 SCIE EI CAS 2010年第4期234-240,共7页
A one-dimensional theoretical model was adopted in this paper to describe and analyze the flow in an expanding RBCC(rocket based combined cycle)duct.It can be concluded that the expanding angle,heating amount and dist... A one-dimensional theoretical model was adopted in this paper to describe and analyze the flow in an expanding RBCC(rocket based combined cycle)duct.It can be concluded that the expanding angle,heating amount and distribution of heating play crucial roles on the thermal choking.They mainly influence the acceleration of flow,the position of choking throat and the total pressure loss.In order to fulfill the transition of subsonic flow to supersonic flow in the expanding RBCC duct,the heating amount has to change from a bigger value to a smaller one along the duct.When the thermal choking occurs in the RBCC duct,the moderate expanding angle,proper heating amount and distribution of heating are necessary for the best performance of RBCC combustor.Adopting the RBCC duct with smaller expanding angles anterior and bigger expanding angles posterior has positive effects on the thermal choking and flexibility of selecting heating method,and can restrain the negative effect of the combustion on the inlet also. 展开更多
关键词 propulsion system of aviation & aerospace RBCC expanding duct one-dimensional analysis thermal choking
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Application of particle trajectory model in 1D planar ejection
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作者 刘坤 柏劲松 李平 《Journal of Central South University》 SCIE EI CAS 2008年第S1期149-154,共6页
A simple one-dimensional planar model for ejection was set up based on experiments.And numerical simulation was performed on this model with particle trajectory model method.An Eulerian finite volume method was conduc... A simple one-dimensional planar model for ejection was set up based on experiments.And numerical simulation was performed on this model with particle trajectory model method.An Eulerian finite volume method was conducted to resolve gas field.And Lagrangian method was imposed to track each particle.The interaction between gas and particles was responded as source terms in governing equations which were induced by forces.The effects of total spraying mass,particle size and other factors on the mixture of particles and gas were investigated.The spatial distributions of particle mass and velocity at different time were presented.The result shows that the numerical results are qualitatively consistent to those of experiments. 展开更多
关键词 EJECTION PARTICLE mixture one-dimensional PLANAR EJECTION MODEL PARTICLE trajectory MODEL particles spatial DISTRIBUTIONS
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Coefficient of consolidation by end of arc method
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作者 Mohsen Abbaspout Reza Porhoseini +1 位作者 Kazem Barkhordari Ahmad Ghorbani 《Journal of Central South University》 SCIE EI CAS CSCD 2015年第1期332-337,共6页
One of the most important issues in geotechnical engineering is excess pore pressure caused by clay soil loading and consolidation. Regarding uncertainties and complexities, this issue has long been the subject of att... One of the most important issues in geotechnical engineering is excess pore pressure caused by clay soil loading and consolidation. Regarding uncertainties and complexities, this issue has long been the subject of attention of many researchers. In this work, a one-dimensional consolidation apparatus was equipped in a way that pore water pressure and settlement could be continuously read and recorded during consolidation process under static loading. The end of primary consolidation was obtained using water pressure changes helping to present a new method for determining the end of primary consolidation and consolidation coefficient. This method was then compared with two classical theory methods of lg t and t. Using Terzaghi's theory, the way of pore pressure dissipation for lg t, t and the new method was found and compared with experimental results. It is concluded that the new method has better results. 展开更多
关键词 one-dimensional consolidation of soil excess pore pressure end primary consolidation consolidation coefficient static loading
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