Electronic Absorption Spectra and Third-Order Nonlinear Optical Property of Dinaphtho[2,3-b:2’,3’-d]Thiophene-5,7,12,13- Tetraone (DNTTRA) and Its Phenyldiazenyl Derivatives: DFT Calculations

Third-order nonlinear optical (NLO) materials have broad application prospects in high-density data storage, optical computer, modern laser technology, and other high-tech industries. The structures and frequencies of Dinaphtho[2,3-b:2’,3’-d]thiophene-5,7,12,13-tetraone (DNTTRA) and its 36 derivatives containing azobenzene were calculated by using density functional theory B3LYP and M06-2X methods at 6-311++g(d, p) level, respectively. Besides, the atomic charges of natural bond orbitals (NBO) were analyzed. The frontier orbitals and electron absorption spectra of A-G5 molecule were calculated by TD-DFT (TD-B3LYP/6-311++g(d, p) and TD-M06-2X/6-311++g(d, p)). The NLO properties were calculated by effective finite field FF method and self-compiled program. The results show that 36 molecules of these six series are D-π-A-π-D structures. The third-order NLO coefficients γ (second-order hyperpolarizability) of the D series molecules are the largest among the six series, reaching 107 atomic units (10-33 esu) of order of magnitude, showing good third-order NLO properties. Last, the third-order NLO properties of the azobenzene ring can be improved by introducing strong electron donor groups (e.g. -N(CH3)2 or -NHCH3) in the azobenzene ring, so that the third-order NLO materials with good performance can be obtained.

SINGULAR PERTURBATION APPROACH TO MOVING MASS CONTROL OF BUOYANCY-DRIVEN AIRSHIP IN 3-D SPACE

The attitude control problem and the guidance problem are solved in 3-D for a buoyancy-driven airship actuated by the combined effects of an internal air bladder which modulates the airshiprs net weight and of two moving masses which modulate its center of mass. A simple and clear modeling is introduced to derive the 8 degree of freedom （DOF） mathematical model. Nonlinear control loops are derived through maximal feedback linearization with internal stability for both dynamics in the longitudinal plane and in the lateral plane. Based on a singular perturbation approach, the superposition of these two control actions in the longitudinal plane and in the lateral plane is shown to achieve the control of the dynamics in 3-D space. The simulations of the airship tracking specified attitude, moving direction and speed in 3-D space are presented.

3-D Numerical Simulation on the Chip Machining Process of a Metal Block

In this paper, the cutting process of a metal block is numerically simulated by the dynamic explicit FE code ABAQUS. Taking thermo-mechanical coupling effect into consideration, the simulation presents the variation of temperature, stress and strain distribution in the workpiece and chip. The effective plastic strain failure criterion is applied to modeling the chip separation and plastic formation. And the phenomenon of the contact and friction between the workpiece and the cutting tool are described in the paper.

ANALYSIS OF SLAB EDGING BY A 3-D RIGID VISCO-PLASTIC FINITE ELEMENT METHOD

3-D rigid visco-plastic finite element method (FEM) is used in the analysisof metal forming processes, including strip and plate rolling, shape rolling, slab edging, specialstrip rolling. The shifted incomplete Cholesky decomposition of the stiffness matrix with thesolution of the equations for velocity increment by the conjugate gradient method is combined. Thistechnique, termed the shifted ICCG method, is then employed to solve the slab edging problem. Theperformance of this algorithm in terms of the number of iterations, friction variation, shiftedparameter psi and the results of simulation for processing parameters are analysed. Numerical testsand application of this technique verify the efficiency and stability of the shifted ICCG method inthe analysis of slab edging.

Characteristics of an Axial-flux Permanent Magnet Synchronous Machine with Contra-rotating Rotors under Unbalanced Load Condition from 3-D Finite Element Analysis

During recent years,the axial-flus PMSM with contra-rotating rotors has become a hot topic in academic research due to its high efficiency and simple structure.However,its back-EMF may be distorted under the condition of different angular positions.This paper investigates characteristics of the novel motor used for contra-propeller driving.Considering the torque ripple and current oscillation under unbalanced load condition,this paper analyzes the distorted back-EMF of the machine when its two rotors get different angular positions during rotating.The analysis results are validated by transient-magnetic 3-D FEA method,which the 3-D FEA software is used to model this motor and transient simulations are carried out to obtain its magnetic characteristic and main performances.A main focus is put on the back-EMF characteristic with different angular positions between the two rotors.Furthermore,the characteristic of torque production under unbalanced load is investigated.Finally,a prototype motor is fabricated to validate the analyses of this paper.

基于现场调查及三维非线性FEM分析的钢框架结构安全性评价研究

作为日本最古老的地铁线路,东京地铁银座线采用钢框架结构形式至今已安全运营了将近90年。通过对该隧道结构体建立的三维FEM模型,非线性分析了静载作用下结构体的应力、应变分布特性。再以对比分析模型分析与现场实际调查两方面得出的裂缝位置及裂缝应变大小,验证了分析方法的合理性与适用性;然后采用该分析方法对隧道结构体的安全性进行评价分析,分析结果显示结构目前依然具备足够的安全性能。

多年冻土地区工程桩桩侧冻结力数值分析

依据侧向冻结力试验无厚度的非线性接触面单元模拟桩土界面,采用双曲线非线性模型冻土本构关系编制三维非线性有限元程序.数值分析得P-s曲线与现场静载试验P-s曲线吻合程度良好,结果表明:桩周冻土温度、桩径、桩长强烈影响着桩侧冻结力的分布状态,得到桩侧冻结力的分布影响规律;增大桩径是提高工程桩承载力、减小沉降量的有效措施;增大设计桩长对提高工程桩承载力贡献较小.

连拱隧道施工方法对边坡稳定性的影响分析

结合某工程,建立了三维弹塑性有限元模型,就隧道的开挖施工过程进行了数值模拟,用强度折减法原理计算得到在左洞先挖和右洞先挖两种施工方法下边坡的安全系数,并探讨了不同开挖顺序对隧道和边坡稳定性的影响。得出了坡体的安全系数随施工的进行逐渐减小、最后趋于稳定的结论,以及对于偏压连拱隧道,先开挖靠边坡外侧的隧洞对边坡的稳定和隧道的安全更加有利。文章最后分析了边坡的破坏失稳机理,提出需加强观测以及采取一定加固措施的建议。其结论对隧道的施工方法具有指导意义。

观音岩混合坝插入式接头应力变形分析

采用有限元方法,利用邓肯E-B模型及接触面模型,模拟堆石坝的实际填筑和蓄水过程,对观音岩水电站混合坝方案插入式接头结构型式进行三维非线性分析。计算结果表明,在蓄水前后,接头处各接触面上下游堆石部分都有脱开现象,心墙与混凝土在顶部有小范围脱开现象。插入式软接头方案基本可行,可在此基础上进行进一步计算分析,提出相应的优化和改善措施以提高运行可靠度。

混凝土面板堆石坝三维非线性有限元应力变形分析

基于通用有限元分析系统ABAQUS的用户子程序二次开发实现Ducan-chang双曲线模型,对某混凝土面板堆石坝(CFRD)的填筑与蓄水过程三维非线性有限元仿真模拟,得到了坝体和混凝土面板的应力与变形、混凝土面板的垂直缝和周边缝沉陷、剪切和张开变形等结果,对工程坝体断面优化分区、接缝止水设计提供了参考依据。

三维有限变形弹塑性有限元的研究

有限变形弹塑性有限元法由于考虑到材料非线性、几何非线性而使计算收敛困难，有时甚至发散。本文以ＡＮＳＹＳ软件为工作平台，根据总结和验证弹塑性有限变形理论，二次开发了忽略刚度硬化影响的三维有限变形弹塑性有限元程序，并以方坯料镦粗为例，将利用本文开发的程序与ＡＮＳＹＳ有硬化影响的算法分别进行模拟计算，并对模拟的结果进行了比较。最后，利用本文开发程序和已开发的三维网络重划系统，以方料反挤为例，对成形过程进行了有限元模拟分析，计算结果证明了所开发程序的可行性及所采用理论的可靠性。

三维非线性磁场计算中不同算子方程的研究

本文证明了在二维非线性磁场情况下,二种算子方程和是等价的,但后者不能推广应用于三维非线性情况.本文还证明了即使对μ采用分片线性化的处理方法,从有限元离散过程中可以发现,离散后产生的面积分项不能象离散后的面积分项互相抵消,不加处理会在单元交界面上产生的错误.所以,是三维非线性磁场计算的基本方程.

天生桥一级水电站厂区岩质高边坡稳定性三维弹塑性有限元数值分析

天生桥一级水电站厂区岩质高边坡中存在影响边坡稳定的断层、顺坡向裂隙及褶皱层面。基于三维弹塑性有限元分析，采用强度储备法研究了边坡在多种工况下的稳定性及失稳破坏机理，研究成果已供工程参考应用。该边坡已经历了施工及几年汛期暴雨的考险，边坡稳定。工程实践表明：研究成果可靠，强度储备法是岩质高边坡稳定性分析的有效方法。

Full 3-D numerical modeling of borehole electric image logging and the evaluation model of fracture

A full 3-D finite element method numerical modeling program is written based on the principle and technical specification of borehole electric image well logging tool. The response of well logging is computed in the formation media model with a single fracture. The effect of changing fracture aperture and resistivity ratio to the logging response is discussed. The identification ability for two parallel fractures is also present. A quantitative evaluation formula of fracture aperture from borehole electric image logging data is set up. A case study of the model well is done to verify the accuracy of the for-mula. The result indicates that the formula is more accurate than the foreign one.

A three-dimensional coupled numerical model of nonlinear waves in a harbor

A 3-D time-domain numerical coupled model for nonlinear waves acting on a ship in a harbor has been developed in the present study.The whole domain is divided into the inner domain and the outer domain.The inner domain is the area around the ship,where the flow is expressed by the Laplace equation and numerically solved by the finite element method.The other area is the outer domain,where the flow is described by the higher-order Boussinesq equations and numerically solved by the finite difference method.The matching conditions on the interfaces between the inner domain and the outer domain,the procedure of coupled solution,the length of common domain and the mesh generation in the inner domain are discussed in detail.The other coupled model with the flow in the inner domain governed by the simplified linear Euler equations and relevant physical experiment are adopted to validate the present coupled model,and it is shown that the numerical results of the present model agree with the experimental data,so the present model can be used for the study on the effect of nonlinear waves acting on a fixed ship in a large area and provide a reference for the time-domain simulation of nonlinear wave forces on an arbitrary object in a large harbor and the 3-D district computation in the future.

高压旋喷桩基础结构地震反应分析

建筑物的地基可能会遇到各种各样的土层,当在软土地基上进行建筑时,为了满足建筑物的承载要求,必须对软土地基进行适当的加固处理,而高压旋喷桩就是地基加固处理的一种方法。通过三维有限元的数值分析方法,采用Buyukozturk Concrete模型模拟水泥和水泥土的非线性,用基于塑性的Drucker-Prager模型模拟土的非线性,建立了高压旋喷桩的桩—土—结构相互作用体系的三维有限元模型,研究了桩—土耦合作用的相互非线性效应,通过接触分析计算了高压旋喷桩基础在地震载荷作用下的上部钢结构响应以及桩腿的内力分布,为复杂结构物的计算提供了一种新的计算方法。

Thermo-mechanical and Experimental Analysis of Double Pass Line Heating

The present investigation deals with process analysis of oxy-acetylene flame assisted double pass line heating for varying plate thickness, oxy-acetylene flame as the heat source for multi pass line heating to achieve 3-D bending of plates with varying thicknesses was studied. The oxy-acetylene flame was modeled as the moving heat source in the FEM analysis. The transient thermal histories were predicted taking into account the temperature dependent thermo-mechanical properties. A comparative study between single pass and double pass line heating residual deformation was also carried out. The temperature distribution and residual detbrmations predicted by the numerical model developed in the present work compared fairly well with those of the experimental ones.

Squint-mode InISAR imaging based on nonlinear least square and coordinates transform

Aiming at the interferometric inverse synthetic aperture radar （InlSAR） imaging in the presence of squint, we investigate the influence of squint on the InlSAR imaging. First, coupling of the squint additive phase and the target azimuth/altitude coordinates to be solved may make the solution more difficult. Second, the squint angle may lead to estimation error of the vertical coordinates and distortion of the ultimate image. Traditional InlSAR imaging algorithms can not solve the above two problems effectively, so we propose a new method which combines the nonlinear least square （NLS） and coordinates transform （CT） to estimate the target coordinates, and a three-dimensional （3-D） image consistent with the real target is obtained accordingly. Simulations show that the proposed method is effective for the squint-mode InlSAR imaging.

高心墙堆石坝的极限抗震能力研究

针对强震区高心墙堆石坝的特点,在对高土石坝进行三维真非线性有效应力地震反应分析的基础上,提出了一套高土石坝极限抗震能力的研究方法。结合两河口工程,从稳定、变形、防渗体安全等方面对两河口高心墙堆石坝的极限抗震能力进行了研究和分析。根据坝坡稳定性、地震残余变形、液化可能性、单元抗震安全性及防渗体安全等多角度的评价结果,初步认为两河口高心墙堆石坝的极限抗震能力为0.45g^0.50g。

Application of the hybrid RANS/LES method on the hydraulic dynamic performance of centrifugal pumps

The nonlinear hybrid RANS/LES method has been developed considering the simulation efficiency and accuracy to simulate the hydraulic dynamic characteristics of the centrifugal pump. It has been proved that the nonlinear hybrid RANS/LES method could effectively capture the unsteady flow structure and pressure pulsation in 2?D centrifugal pumps. To further investigate the hydraulic dynamic performance of a redesigned 3-D-gap drainage centrifugal pump, the nonlinear hybrid RANS/LES method is employed. Both numerical simulation and experimental results show that the hydraulic performance and pressure pulsation characteristics of the 3-D-gap drainage impeller centrifugal pump are significantly enhanced.