由Gurtin变分原理求解策动力下一维动力学初值问题的半解析法

基于Gurtin变分原理,以梁为对象研究了在策动力下动力学初值问题的半解析解法。该方法在空间域作有限元离散,在时间域上取级数。     

Cell theory and equation‐of‐state of chain molecular systems: Application to polymer solids

We use the Lennard‐Jones and Devonshire cell theory without any ad hoc simplification of the cell potential to obtain the equation‐of‐state (EOS) for chain molecular systems. The interactions of the central segment with second and third shells of neighbors are taken into account. Numerical values of the cell integrals are given in tabular form along with interpolation expressions that cover the range of PVT variables appropriate to polymers. Results of comparison with EOS based on square‐well form are also discussed. Application of the theory to polymer glasses of diverse structures is found to be quite successful in explaining the PVT behavior over a wide range of temperatures both at atmospheric and elevated pressures. Further, scaled volume at the glass‐transition temperature is discovered to be a corresponding state property. Turning to crystals, the theory is generally in good accordance with the PVT data of three well‐studied polymers both at atmospheric and elevated pressures. For linear polyethylene the agreement is good up to 42 kbar for the room‐temperature isotherm. On the other hand, at higher temperatures where the data are limited to 5 kbar, the agreement is determined to be satisfactory for the three polymers. © 2001 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 39: 515–530, 2001     

Harmonic modes as variables to approximately account for receptor flexibility in ligand–receptor docking simulations: Application to DNA minor groove ligand complex

An approach to approximately account for receptor flexibility in ligand–receptor docking simulations is described and applied to a DNA/Hoechst 33258 analogue complex. Harmonic modes corresponding to eigenvectors with small eigenvalues of the Hessian matrix of the potential energy function were used as independent variables to describe receptor flexibility. For the DNA minor groove ligand case most of the conformational difference between an energy minimized free DNA and ligand-bound structure could be assigned to 5–40 harmonic receptor modes with small eigenvalues. During docking, deformations of the DNA receptor structure in the subset of harmonic modes were limited using a simple penalty function that avoided the summation over all intrareceptor atom pairs. Significant improvement of the sterical fit between ligand and receptor was found upon relaxation of the DNA in the subset of harmonic modes after docking of the ligand at the position found in the known crystal structure. In addition, the harmonic mode relaxation resulted in DNA structures that were more similar to the energy minimized ligand-bound form. Although harmonic mode relaxation also leads to improved sterical fit for other ligand placements, the placement as observed in the crystal structure could still be identified as the site with the most favorable sterical interactions. Because relaxation in the harmonic modes is orders of magnitude faster than conventional energy minimization using all atom coordinates as independent variables, the approach might be useful as a preselection tool to recognize ligand binding sites accessible only upon small conformational changes of the receptor. The harmonic mode relaxed structures can only be considered as approximate structures because deformation of the receptor in the harmonic modes can lead to small perturbations of the stereochemical geometry of the molecule. Energy minimization of preselected ligand–DNA docking candidates in all atom coordinates is required to reduce these deviations. ©1999 John Wiley & Sons, Inc. J Comput Chem 20: 287–300, 1999     

基于局部模态的约束子结构模型修正法

针对局部子结构为修正对象的情况提出了约束子结构修正法,实现只利用整体结构模态中对应子结构部分的模态即可以修正子结构模型.由脉冲响应结合特征系统实现法识别出子结构的低阶模态;结合识别的模态和整体结构理论模型的高阶模态构造整体结构对应子结构位置的柔度矩阵;利用柔度矩阵的物理意义,在子结构的边界上施加数值支座,把子结构从整体结构中隔离出来成为约束子结构,同时构造出约束子结构的柔度矩阵;利用灵敏度的方法根据构造出的约束子结构柔度矩阵,优化修正约束子结构,即间接等效地修正子结构模型.通过一个平面桁架结构验证了约束子结构模型修正法的可行性与有效性,即使在5%或10%的噪声影响下,仍能得到满意的修正结果.     

基于有限单元柔度法的材料与几何双重非线性空间梁柱单元

从有限单元柔度法的基本思想出发,基于完全拉格朗日格式(TL格式),建立了能考虑材料与几何双重非线性的一般化空间梁柱单元,适用于满足Euler-Bernoulli梁柱二阶分析理论假定的空间杆系结构非线性分析。另外,在梁柱单元截面分析中引入纤维模型,使其适用于解决钢筋混凝土这类复合材料结构的非线性分析问题。对钢筋混凝土双向偏心受压柱试验结果的模拟分析表明,本文所提方法是正确、可靠的,能有效地分析钢筋混凝土框架柱的材料与几何双重非线性问题。     

炮钢材料等离子淬火后动态力学性能研究

为提高炮钢材料在较高冲击作用下的动态力学性能,采用等离子淬火技术对炮钢材料进行表面处理,并使用分离式霍普金森压杆(SHPB)系统对原始炮钢材料与等离子淬火后的炮钢材料进行对比分析,方法为对两种试样在试验前后的长度压缩量以及二者在不同应变率下的动态应力-应变曲线进行比较。结果表明,随着应变率的增加两种试样的应力-应变关系、屈服强度都有不同程度的强化效应,都表现出一定的应变率敏感性;在相同气压下两种试样在长度方向上都产生了一定的塑性变形,但淬火试样的压缩量明显小于原始试样。并且气压相同时试样经过等离子淬火后其抗冲击性能有显著提升,具体表现为应变与应变率降低,屈服强度与极限强度升高。     

Role of the Λ(1600) in the ${K}^{-}p \rightarrow {\rm{\Lambda }}{\pi }^{0}{\pi }^{0}$ reaction

Role of the Λ(1600) is studied in the ${K}^{-}p\to {\rm{\Lambda }}{\pi }^{0}{\pi }^{0}$ reaction by using the effective Lagrangian approach near the threshold. We perform a calculation for the total and differential cross sections by considering the contributions from the Λ(1600) and Λ(1670) intermediate resonances decaying into ${\pi }^{0}{{\rm{\Sigma }}}^{* 0}(1385)$ with ${{\rm{\Sigma }}}^{* 0}(1385)$ decaying into ${\pi }^{0}{\rm{\Lambda }}$. Additionally, the non-resonance process from u-channel nucleon pole is also taken into account. With our model parameters, the current experimental data on the total cross sections of the ${K}^{-}p\to {\rm{\Lambda }}{\pi }^{0}{\pi }^{0}$ reaction can be well reproduced. It is shown that we really need the contribution from the Λ(1600) with spin-parity ${J}^{P}=1/{2}^{+}$, and that these measurements can be used to determine some of the properties of the Λ(1600) resonance. Furthermore, we also plot the π⁰Λ invariant mass distributions which could be tested by the future experimental measurements.     

两关节压力驱动柔性仿生机器鱼的设计与仿真

为研究设计一种柔软度高、环境适应性强的新型仿生机器鱼, 模仿鲨鱼外形及鲔科鱼类的游动姿态, 设计了一种采用液压柔性驱动结构的仿生机器鱼. 针对单关节液压驱动柔性机器鱼存在其C型摆动姿态不符合鲔科鱼类摆动规律的问题, 采用两关节液压柔性驱动模拟鱼类S型摆动, 并根据液压柔性驱动器原理设计仿生鱼的内部结构. 依据理论波动方程确定机器鱼的摆动幅值, 借助数值模拟计算施加在柔性驱动器内部的压强载荷大小, 并分析计算液压柔性驱动器的驱动效率. 应用有限元分析软件模拟仿生鱼在流体中的自主游动过程, 并将两关节机器鱼与单关节机器鱼的自主巡游过程进行对比仿真, 获得两种机器鱼在流体中自主巡游时的运动姿态、游动速度及流场情况. 结果表明, 在相同的频率与尾鳍摆幅下, 两关节柔性机器鱼的巡游平均速度为0.29 BL/s (BL为鱼体体长), 高于单关节机器鱼巡游平均速度0.15 BL/s, 且由速度矢量图可得出两关节仿生鱼的S型摆动姿态更接近真实鱼类摆动规律, 并在运动过程中会产生一系列离散的反向卡门涡街, 推进效率高.      

基于静力柔度灵敏度的网架结构损伤识别

采用模态参数来组集网架结构的柔度矩阵面临较多困难,如所需模态数量较多、测点数量有限和密集模态识别精度较低等．相比之下,基于静力测试的柔度矩阵具有测试精度较高、无截断误差的优点．文中提出一种基于静力柔度灵敏度、先定位后定量的网架结构损伤识别方法．首先,针对柔度灵敏度方程容易产生病态解的问题,构造一种奇异值贡献指标以合理截断柔度灵敏度矩阵的奇异值,从而提高解的精度．其次,结合前述奇异值截断策略,在不更新刚度矩阵的前提下,通过多次计算来逐步缩减疑似损伤杆件,从而降低未损杆件的干扰和实现损伤杆件的定位．最后,仅保留灵敏度矩阵中已定位损伤杆件对应的列,在迭代计算中不断更新刚度矩阵来进行损伤杆件的定量识别．以某网架结构为例进行数值分析．结果表明：提出的奇异值贡献指标具有明显的突变位置,可方便地指出灵敏度方程奇异值截断位置;提出的两步识别法在仅利用竖向自由度的情况下具有较好的抗噪能力,可有效定位和定量识别损伤杆件．     

岐管式微通道冷却热沉的三维数值优化

微尺度传热是近几年来发展起来的一种重要传热技术,广泛应用于高集成度的电子器件的冷却。大功率半导体激光器的热沉积是限制其性能发挥和功率进一步提高的瓶颈。本文研究的热沉用于冷却一种以半导体激光条阵列为泵浦的大功率激光器,其10 mm×1 mm半导体激光条表面的热流密度高达400 W／cm2。本文对以无氧铜为材料、以水为冷却介质的微通道热沉的结构尺寸进行了优化设计。结果表明,热沉结构对热阻、泵功、半导体激光条表面温度分布有重要影响,其中微通道进出口宽度对泵功的影响最大。