刚性挡土墙地震主动土压力的拟动力学分析

采用拟动力学方法的基本假定,考虑地震加速度的放大效应,利用水平层分析法,求得在地震荷载作用下随地震时间变化的主动土压力强度的分布解.将最危险滑动面倾角和合力作用点高度与传统方法进行比较,分析合力作用点时程曲线的特征,探讨水平加速度系数及加速度放大系数对土压力分布的影响.结果表明:采用该方法计算得到的滑动面倾角和合力作用点高度大于传统方法计算值;合力作用点高度在地震时是不断变化的;水平地震加速度系数及加速度放大系数均对土压力分布有很大影响,不考虑加速度的放大效应是偏于危险的.

挡土墙后地震被动土压力的拟动力学分析

考虑地震加速度的放大效应,运用拟动力学的研究方法,推导了地震条件下随时间变化的被动土压力系数、被动土压力合力、被动土压力强度和被动土压力合力作用点的理论公式;重点分析了加速度的放大系数以及地震卓越周期对最危险滑动面倾角、被动土压力系数以及被动土压力分布的影响。

挡土墙后黏性土的地震主动土压力分析

在Mononobe-Okabe平面滑裂面假设的基础上,考虑地震加速度的放大效应,运用拟动力学的分析方法,得到考虑时间和相位变化的刚性挡土墙后黏性土地震主动土压力系数、地震主动土压力合力和主动土压力分布强度的理论公式。在此基础上,利用优化算法得到地震卓越周期中的最不利工况,分析水平和竖向地震加速度系数、内摩擦角、墙面摩擦角、挡土墙倾角和地震放大系数对最不利工况下滑动面倾角、主动土压力系数、临界深度、合力作用点和土压力分布的影响。研究表明:地震主动土压力分布为非线性;地震加速度的存在大大增加黏性土的主动土压力;挡土墙倾角和地震放大效应对临界深度、合力作用点和土压力分布都有着明显影响。

考虑地震加速度时程影响的挡土墙动土压力分布

针对传统拟静力法在计算挡土墙动土压力时不能考虑地震荷载等特点的问题,采用拟动力法,考虑地震加速度随时间及挡土墙深度的变化,采用薄层分析法并结合极限平衡理论,推导了地震荷载作用下挡土墙动土压力随地震加速度时程变化的表达式,研究了墙后破裂面倾角、动土压力系数、动土压力合力作用点位置随地震时程的变化特征及地震加速度对挡土墙动土压力分布的影响。结果表明:动土压力合力作用点位置随地震加速度时程呈周期性变化,合力作用点高度高于传统方法所确定的H/3;地震荷载下挡土墙主动土压力呈非线性分布,地震加速度、内摩擦角对动土压力分布有显著影响。

倾斜挡土墙后粘性土的地震主动土压力分析

文中考虑水平地震加速度、竖向地震加速度、卓越周期和墙面倾角的因素,运用拟动力学的分析方法,得到了考虑时间和相位变化的粘性土地震主动土压力系数、土压力合力和土压力分布强度的理论公式。在此基础上,分析了水平和竖向地震加速度系数、内摩擦角、墙面摩擦角对最不利工况下滑动面倾角、主动土压力系数、主动土压力分布的影响。研究表明:地震主动土压力分布为非线性;地震加速度导致粘性土的主动土压力大幅增加,增加的程度随着地震水平加速度系数的增大而增加。

Anisotropy of Thermal-expansion for β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine： Quantum Chemistry Calculation and Molecular Dynamics Simulation

Molecular dynamics simulations on octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine （HMX） at 303-383 K and atmospheric pressure are carried out under NPT ensemble and COMPASS force field, the equilibrium structures at elevated temperatures were obtained and showed that the stacking style of molecules don＇t change. The coefficient of thermal expansion （CTE） values were calculated by linear fitting method. The results show that the CTE values are close to the experimental results and show anisotropy. The total energies of HMX cells with separately increasing expansion rates （100%-105%） along each crystallographic axis was calculated by periodic density functional theory method, the results of the energy change rates are anisotropic, and the correlation equations of energy change-CTE values are established. Thus the hypostasis of the anisotropy of HMX crystal＇s thermal expansion, the determinate molecular packing style, is elucidated.

Characterization on the hydrodynamics of a covering-plate Rushton impeller

A modified Rushton impeller with two circular covering-plates mounted on the upper and lower sides of the blades was designed.There are gaps between the plates and the blades.The turbulent hydrodynamics was analyzed by the computational fluid dynamics(CFD) method.Firstly,the reliability of the numerical model and simulation method was verified by comparing with the experimental results from literature.Subsequently,the power consumption,flow pattern,mean velocity and mixing time of the covering-plate Rushton impeller(RT-C) were studied and compared with the standard Rushton impeller(RT) operated under the same conditions.Results show that the power consumption can be decreased about 18%.Compared with the almost unchanged flow field in the lower stirred tank,the mean velocity was increased at the upper half of the stirred tank.And in the impeller region,the mean axial and radial velocities were increased,the mean tangential velocity was decreased.In addition,the average mixing time of RT-C was shortened about 4.14% than the counterpart of RT.The conclusions obtained here indicated that RT-C has a more effective mixing performance and it can be used as an alternative of RT in the process industries.

Riser VIV and its numerical simulation

This paper summarizes some of the typical riser vortex-induced vibration （VIV） problems in subsea oil and gas developments, and presents the corresponding computational fluid dynamics （CFD） time domain simula- tion results to address these problems. First, the CFD time domain simulation approach was applied to analyze the wake field behind a stationary cylinder and a vibrating cylinder. Then a vertical riser VIV response under uniform current was studied. The VIV response time histories revealed some valuable clues that could lead to explanation of the higher harmonics. After that, a vertical riser VIV response under shear current was investigated. A 3 000 ft （1 ft=-0.304 8 m） water depth top tensioned riser was sized, and its VIV responses under uniform and shear current were studied. Then this paper continues to discuss one catenary flexible riser VIV response during normal lay. Last, the time domain simulation approach was applied to a partially submerged flexible jumper, to study the jumper VIV behavior, and dynamic motion envelopes. It was demonstrated that the time domain simulation ap- proach is able to disclose details of the flow field, vortex shedding pattern, and riser dynamic behavior, and han- dle different tvoes of risers under different Woe of currents.

An integrated model for predicting the flame propagation in crimped ribbon flame arresters

Crimped ribbon flame arresters are important safety devices in the chemical industry, especially for the danger- ous situations. Although proper design of arresters by the numerical simulation method is promising, its reliabil- ity and accuracy are dependent upon the mathematical model. In this work, an integrated mathematical model for the microchannel in the crimped ribbon flame attesters was set up; the fluid flow behavior and the sensitiv- ities of four chemical kinetics mechanisms of propane-air on the accuracy were analysed. It is shown that turbu- lence is predominant in the microchannel of the crimped ribbon flame arresters under the defiagration and detonation conditions, and a new quenching criterion for the numerical simulation is proposed. The kinetics mechanism of Mansouri et al. among the four ones is the most accurate due to the best agreement of the pre- dicted outlet temperature at the experimental flameproof velocity with the autoignition temperature of propane-air. The species mass fraction profiles and the temperature distribution, which are too difficult to mea- sure due to the tiny dimension of the microchannel in experiments, are captured. The fundamental insights into chemical reactions and heat loss are well portrayed. It can be concluded that the integrated mathematical model established in this work can be used as a reliable tool for modeling, selecting and designing such type of crimped ribbon flame attesters with the propane-air medium in the future.

Accurate level set method for simulations of liquid atomization

Computational fluid dynamics is an efficient numerical approach for spray atomization study, but it is challenging to accurately capture the gas-liquid interface. In this work, an accurate conservative level set method is intro- duced to accurately track the gas-liquid interfaces in liquid atomization. To validate the capability of this method, binary drop collision and drop impacting on liquid film are investigated. The results are in good agreement with experiment observations. In addition, primary atomization （swirling sheet atomization） is studied using this method. To the swirling sheet atomization, it is found that Rayleigh-Taylor instability in the azimuthal direction causes the primary breakup of liquid sheet and complex vortex structures are clustered around the rim of the liq- uid sheet. The effects of central gas velocity and liquid-gas density ratio on atomization are also investigated. This work lays a solid foundation for further studvin~ the mechanism of s^rav atomization.

Numerical Simulation of Countercurrent Flow in a PWR Hot Leg by Using Two-Fluid Model

In order to evaluate CCFL （countercurrent flow limitation） characteristics in a PWR （pressurized water reactor） hot leg under reflux condensation, numerical simulations have been conducted using a 2F （two-fluid） model and a VOF （volume of fluid） method implemented in the CFD （computational fluid dynamics） software, FLUENT6.3.26. The 2F model gave good agreement with CCFL data in low pressure conditions but did not give good results for high pressure steam-water conditions. In the previous study, the computational grid and schemes were improved in the VOF method to improve calculations in circular tubes, and the calculated CCFL characteristics agreed well with the UPTF （Upper Plenum Test Facility） data at 1.5 MPa. In this study, therefore, using the 2F model and the computational grid previously improved for the VOF calculations, numerical simulations were conducted for steam-water flows at 1.5 MPa under PWR full-scale conditions. In the range of medium gas volumetric fluxes, the calculated CCFL characteristics agreed well with the values calculated by the VOF method and the UPTF data at 1.5 MPa. This indicated that the reference set of the interfacial drag correlations employed in this study could be applied not only to low pressures but also to high pressures.

Aerodynamic Noise Propagation Simulation using Immersed Boundary Method and Finite Volume Optimized Prefactored Compact Scheme

Based on the immersed boundary method （IBM） and the finite volume optimized pre-factored compact （FVOPC） scheme, a numerical simulation of noise propagation inside and outside the casing of a cross flow fan is estab- lished. The unsteady linearized Euler equations are solved to directly simulate the aero-acoustic field. In order to validate the FVOPC scheme, a simulation case： one dimensional linear wave propagation problem is carried out using FVOPC scheme, DRP scheme and HOC scheme. The result of FVOPC is in good agreement with the ana- lytic solution and it is better than the results of DRP and HOC schemes, the FVOPC is less dispersion and dissi- pation than DRP and HOC schemes. Then, numerical simulation of noise propagation problems is performed. The noise field of 36 compact rotating noise sources is obtained with the rotating velocity of 1000r/min. The PML absorbing boundary condition is applied to the sound far field boundary condition for depressing the numerical reflection. Wall boundary condition is applied to the casing. The results show that there are reflections on the casing wall and sound wave interference in the field. The FVOPC with the IBM is suitable for noise propagation problems under the complex geometries for depressing the dispersion and dissipation, and also keeping the high order precision.

Buffeting numerical simulation coupled with aerodynamics and structure based on MDDES

Unsteady effect of seriously separated flow is the main factor of modern aircraft buffeting. So accurate simulation of this complex flow becomes the basis associated with the research of aircraft buffeting. This paper constructs an unsteady numerical simulation method for separation flow based on modified delayed detached eddy simulation (MDDES) method by considering both modern computer resources and the credibility of simulating separation flow. The proposed method is also verified through the simulation of the separated flow by a typical fighter at high angle of attack. And then a robust and efficient technology for deforming mesh is established using radial basis function (RBF) and infinite interpolation method. Moreover, the platform for numerical simulation of buffeting is set up in combination with the structural dynamics equations in the modal space, by which the research of vertical tail buffeting caused by edge vortex is carried out on a fighter at large angle of attack. Through spectrum analysis of time-domain response of pressure pulsation on the location of vortex rupture, the results show that the pulsation frequency of vortex structure with different scales covers the inherent modal frequency of vertical tail structure. Compared to the Reynolds-averaged Navier-Stokes equations, the MDDES method can distinguish the more detailed and higher frequency small-scale vortex structure. Unlike flutter, displacement acceleration response of each mode in buffeting is dominated by its own mode. There exists strong coupling between the first bending mode and first torsion mode, and it leads to acceleration and large inertia impact of structure, which is the main factor causing structural fatigue. In sum, the obtained results verify the validity of the numerical means and the corresponding methods in the paper.

Diffusion in Two-dimensional Magnetized Dusty Plasmas

A molecular dynamical simulation method is used to investigate the diffusion of the two-dimensional magnetized dusty plasmas. The effects of charge and mass of the particles, as well as the external magnetic field are discussed in detail It is shown that, relative to the mass of particulate, the charge and magnetic field have a more considerable effect on the diffusion process, particularly on the resulting structure of the system. The dependence of diffusion coecient on the temperature is shown to be linearly changed over a wide range of temperature.

Theoretical methods for excited state dynamics of molecules and molecular aggregates

This contribution provides a summary of proposed theoretical and computational studies on excited state dynamics in molecular aggregates, as an important part of the National Natural Science Foundation (NNSF) Major Project entitled "Theoretical study of the low-lying electronic excited state for molecular aggregates". This study will focus on developments of novel methods to simulate excited state dynamics of molecular aggregates, with the aim of understanding several important chemical physics processes, and providing a solid foundation for predicting the opto-electronic properties of organic functional materials and devices. The contents of this study include: (1) The quantum chemical methods for electronic excited state and electronic couplings targeted for dynamics in molecular aggregates; (2) Methods to construct effective Hamiltonian models, and to solve their dynamics using system-bath approaches; (3) Non-adiabatic mixed quantum-classic methods targeted for molecular aggregates; (4) Theoretical studies of charge and energy transfer, and related spectroscopic phenomena in molecular aggregates.

An Isoratio Method and an Isoratio Scaling Phenomenon in Heavy-Ion Collisions

An isoratio method is proposed to study the chemical potential of neutrons(protons) from the yield ratio of isotopes(isotones) differing in neutron-excess(I = N- Z). The measured fragments in the 140 A MeV ^(40),^(48) Ca and^(58),^(64) Ni +~9Be reactions, as well as those in the simulated^(58),^(64) Ni +~9Be reactions by using the antisymmetric molecular dynamics(AMD) model plus the secondary decay model gemini, have been adopted to perform the isoratio analysis.The results of the isoratio method verify that they are similar to that of the well known isoscaling method. The isoratio scaling phenomenon suggested by the isoratio method has also been found in the measured data and the fragments simulated by the AMD + gemini models.

Strong Analog Classical Simulation of Coherent Quantum Dynamics

A strong analog classical simulation of general quantum evolution is proposed, which serves as a novel scheme in quantum computation and simulation. The scheme employs the approach of geometric quantum mechanics and quantum informational technique of quantum tomography, which applies broadly to cases of mixed states, nonunitary evolution, and infinite dimensional systems. The simulation provides an intriguing classical picture to probe quantum phenomena, namely, a coherent quantum dynamics can be viewed as a globally constrained classical Hamiltonian dynamics of a collection of coupled particles or strings. Efficiency analysis reveals a fundamental difference between the locality in real space and locality in Hilbert space, the latter enables efficient strong analog classical simulations. Examples are also studied to highlight the differences and gaps among various simulation methods.