考虑面内破坏过程的含分层损伤复合材料加筋层合板的动力响应

基于复合材料层合板一阶剪切理论，推导了复合材料层合板单元的刚度阵和质量阵列式；同时采用了Adams应交能法与Rayleigh阻尼模型相结合的方法，构造了相应的阻尼阵列式；为了防止在低阶模态中分层处出现的上、下子板不合理的嵌入现象，建立了含分层损伤复合材料加筋层合板动力分析的分层分析模型和虚拟界面联接模型。在上述模型和理论基础上，采用了Tsai提出的刚度退化准则和动力响应分析的精细积分法，对含分层损伤复合材料加筋层合板结构进行了动力响应和破坏分析。通过算例，分别讨论了外载频率、分层位置，以及破坏过程的刚度退化对含损伤复合材料加筋层合板动力响应特征的影响，得到了一些具有理论和工程价值的结论。     

应用虚拟仪器技术的捷联式航姿系统

结合捷联式航姿系统的研究开发和运行特点，阐述了应用虚拟仪器技术提高研发效能的优越性。用虚拟仪器的体系结构实现了硬件与软件的完美结合。使用四阶龙格-库塔法实现四元数捷联修正算法，应用虚拟仪器技术设计了一套捷联式航姿系统。     

电测虚拟实验探讨

介绍了自行研制的多媒体教学软件虚拟电测实验系统。该系统是在采集真实的实验图片和真实的实验数据基础上使用Visual Basic编制而成的。它完全模拟实际的实验环境和实验过程,能够完成电测的基本实验,如电阻应变片灵敏系数测定、材料弹性常数的测定、纯弯曲梁截面正应力分布的测定、主应力的测定等实验项目。制作该虚拟实验系统的目的是为了给学生提供一个预习的工具,让学生在进入实验室做实验之前就基本掌握实验的全过程,提高其对实验课的学习兴趣,同时也可以缓解实验教学设备不足与实验教学设备利用率低下的矛盾。实践证明:使用该系统教学与传统的教学过程有着明显的不同,它使学生由被动地参与教学过程变成主动地学习,这有利于知识的获取与掌握,此外,对于实验条件不足的困境也起到了一定的缓和作用。     

城市河网洪水过程的一维数值模拟

基于邻接矩阵和邻接表概念,提出了新的拓扑结构,即利用net、edge和node对象实现河网拓扑信息及河道断面和结点信息的储存;基于虚设河段法,推导出城市河网内边界即集中入流(雨水管出口)、闸堰的追赶系数,从而实现了基于GIS平台的城市河网非恒定流一维数值模拟程序的通用性和可移植性.最后,将温州市区“9.4”暴雨期间的河网洪水过程的计算值与实测值进行了对比,结果表明本模型可较好地模拟城市河网的洪水过程.     

RESTUDY OF COUPLED FIELD THEORIES FOR MICROPOLAR CONTINUA (Ⅰ)──MICROPOLAR THERMOELASTICITY

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Computer‐aided Discovery of Potential Inhibitors for Transthyretin‐related Amyloidosis

Transthyretin (TTR) is a homotetrameric plasma protein associated with human amyloid diseases. Although Tafamidis has been recently approved for the treatment of TTR familial amyloid polyneuropathy (FAP), there is still a need for more effective drugs in the treatment of TTR amyloidosis diseases. In this study, a computer‐aided approach combining molecular docking, virtual screening and molecular dynamics (MD) simulations was employed to identify potent TTR amyloidosis inhibitors from National Cancer Institute (NCI), Maybridge and Asdi databases. A receptor‐specific scoring function was also developed using comparative binding energy (COMBINE) method to accurately predict the inhibitory activities for the selected compounds during virtual screening. The developed receptor‐specific scoring function demonstrated good predictive ability by yielding strong correlation coefficients between experimental activities and estimated activities for 32 training set and 9 test set compounds, respectively. Moreover, it was successfully applied to rank the candidate compounds from structure‐based virtual screening. Finally, three compounds (NSC220163, MFCD00276817 and SPB06319) were identified as potential leads, which exhibited higher predicted inhibitory activities and higher binding affinities in comparison to the Tafamidis. Our results further suggest that halogen bonding interaction plays a crucial role in stabilizing the TTR‐inhibitor complex. These results indicate that our computational approach could effectively discover more potent TTR amyloidosis inhibitors, which can be further validate by in vitro and in vivo biological tests.     

Effects of Various Forces on Particle Distribution and Thermal Features of Suspensions Containing Alumina Nanoparticles

The two-phase Euler-Lagrange method has been used in order to investigate the effects of various forces on particle distribution and thermal characteristics of the water-based Al₂O₃ nanofluid flow inside a pipe under uniform wall heat flux. In the Euler-Lagrange approach, the particles are individually tracked in Lagrangian frame, while the fluid is evaluated in Eulerian frame. Brownian, thermophoretic, drag, lift, and virtual mass forces have been considered. Moreover, experimental data from various researchers were used to analyze the results. Concentration distribution is nonuniform at cross section of the pipe which increasing each parameters of Reynolds number, mean concentration and particles size will intensify its nonuniformity. This nonuniformity will make velocity profile flatter. The Brownian force makes the particle distribution more uniform, whereas the thermophoretic force enhances nonuniformity of the particle distribution. The effects of not considering the Brownian and thermophoretic forces on heat transfer are more significant for finer particles and higher concentrations. Furthermore, at lower Reynolds number, the Brownian force incorporates a more significant role especially in farther distances from entrance.      

Shape‐based virtual screening with volumetric aligned molecular shapes

Shape‐based virtual screening is an established and effective method for identifying small molecules that are similar in shape and function to a reference ligand. We describe a new method of shape‐based virtual screening, volumetric aligned molecular shapes (VAMS). VAMS uses efficient data structures to encode and search molecular shapes. We demonstrate that VAMS is an effective method for shape‐based virtual screening and that it can be successfully used as a prefilter to accelerate more computationally demanding search algorithms. Unique to VAMS is a novel minimum/maximum shape constraint query for precisely specifying the desired molecular shape. Shape constraint searches in VAMS are particularly efficient and millions of shapes can be searched in a fraction of a second. We compare the performance of VAMS with two other shape‐based virtual screening algorithms a benchmark of 102 protein targets consisting of more than 32 million molecular shapes and find that VAMS provides a competitive trade‐off between run‐time performance and virtual screening performance. © 2014 Wiley Periodicals, Inc.     

压电材料三维问题的虚边界元——最小二乘配点法

从压电材料三维问题的基本方程出发,利用已有的压电材料三维问题的基本解以及弹性力学虚边界元方法的基本思想和线性叠加原理,提出了压电材料三维问题的虚边界元——最小二乘配点解法。虚边界元解法继承了传统边界元方法的优点,并且有效避免了传统边界元方法中可能遇到的边界积分奇异性问题。最后,文章给出了压电材料三维问题的几个数值算例,并且与解析解做了比较,结果表明本文的方法具有较高的精度,是解决该问题一个十分有效的数值求解方法。     

钢管混凝土轴心受压构件极限承载力的有限元分析

采用三维虚拟层合单元法，对钢管混凝土和纯混凝土轴心受压构件在轴向荷载作用下产生的稳定承载能力和材料承载能力问题进行了分析比较，同时进一步分析了前者失稳破坏和材料破坏的界限值，模拟了前者第一阶失稳模态，结论与试验结果符合良好。