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Based on the fact that the stable tautomer of NTBC by calculation is different from that from X-ray experiment, the quantitative structure-activity relationship (Comparative Molecular Field Analysis, CoMFA and Comparative Molecular Similarity Index, CoMSIA) were studied on the five possible active tautomers in order to conjecture the structure of NTBC binding with HPPD.

基于理论计算得到的NTBC的稳定异构体结构与实验观测结构不一致的事实,利用比较分子力场和比较分子相似性指数的分析方法对NTBC可能存在的五种活性结构分别进行了三维构效分析,最终由CoMFA分析得到的最佳模型所对应的NTBC的活性结构与动力学实验推测的结合模式相吻合。

In applications, the complex structural phases of ZnO tetrapod nanocrystals were investigated and determined.The results showed the wurtzite and zinc-blend phase in the leg part and the core part,respectively,which also agreed well with the Raman spectra and calculation data.

将建立的纳米微区结构相的测量分析技术应用于四脚ZnO的脚和芯的结构测量,证明脚处的纤锌矿结构和芯部的闪锌矿结构

Firstly, the paper carried out test study base on the pseudo-static test under horizontal loads on four two-spanned model members of FSMRCSS, including three 1/2-scaled two-storeyed models and one 1/3-scaled three-storeyed model. By the test study, the paper analyzed the test results, including analysis on mechanical property of the constructure under vertical loads, and failure mode, deformation capacity, aseismic performance under horizontal loads and constant vertical loads. The paper also compared LFSWSUMS with FSMRCSS on aseismatic property.

本文首先对三个两跨两层和一个两跨三层的底部大空间框支密肋复合墙结构的1/2和1/3比例模型进行伪静力试验研究,通过对底部大空间框支密肋复合墙结构在竖向荷载及与水平低周反复荷载共同作用下的受力性能的试验研究,探讨了结构的变形性能、滞回耗能和破坏形态,并与框支砌体结构进行对比分析。

In general, the layered feature of electrical structure is analyzed first of all for defining preliminarily whether a DES exists in the target area or not. Then the contours of resistivity in resistivity tomogram are analyzed from the deep to the shallow part. If they extend upwardly from the deeper part to shallower one and shape into the integral dislocation, great flexure or gradient zone, it would indicate there exists the DES reflecting a buried fault. At last, horizontal tracking needs to be carried out for defining the trend of the DES reflecting a buried fault.

一般情况下,在分析时,首先分析电性结构的层状特征,以此初步判定探测区域中是否存在电性结构间断面;其次,要由深入浅分析电阻率等值线,如果它们能够从探测剖面的深部向上延伸到浅部,且存在等值线的整体性错断、强烈弯曲或梯度带,则表明存在表征隐伏断裂的电性结构间断面;最后需进行水平追踪分析,以确定表征隐伏断裂的电性结构间断面的空间展布。

So, based on research on agroforestry system and structure optimization technology, this paper gives a theoretical and quantifiable study on structure optimization of agroforestry system on scales of among or in land cell, aspects including selection of species, dimension optimization, topological structure optimization and evaluation.

为此,本文在综合国内外农林复合系统研究以及结构优化技术研究的基础上,在土地单元间和土地单元内两个尺度上,植物材料选择、尺寸结构优化、拓扑结构优化以及优化模式评价四个层次,对三峡库区的农林复合系统结构优化进行了理论以及定量研究。

Structure-Based Approximation Learning Theory: Under the description of manifold and topological architecture of neural field, we have proposed a learning frameworks of neural networks based on global architecture approximation theory borrowed from the concept of topology and manifold to solve the optimal problems of learning in non-nonlinear and non-Euclidean space, and discussed a few basic components of the learning theory, learning mechanism and learning algorithm in the term of structure-based approximation and global structure analysis.

基于结构的逼近学习理论:通过人工神经网络模型神经场的流形结构和拓扑结构描述,我们提出了在非线性和非欧氏空间中基于整体结构逼近的神经场学习理论框架;用对偶流形理论和拓扑概念作为工具,讨论了神经网络的学习理论、学习机理、学习算法和算法的具体实现。

In chapter 1, an up to now synthetically evaluation is given on the research ways and conclusions about jet in cross-flow. Considering the shortage of previous research ways and techniques (the instantaneous flow field and vortices field can not be properly get), in addition to the deficiency of corresponding conclusion (mainly concentrate on the analysis of time-average but little on structures of flow and action of vortex), the research way and content is draft out in this part. Though PIV, the time-average, instantaneous flow field and vortices field can be get, that will unveil the coherent vortex and its course of generation, development and evolvement, with the assistance of K-ε model and Hybrid Finite Analytic Method , which will proof-test the experiment result and bring some complementary, more profound research about the 3-D characters can be done. Using some fundamental topological theory and principle on flow analysis, with anglicizing of vortex structure, a reasonable description is the topological characteristic of near field in JICF given.

首先在第一章中对横流中湍射流的以往研究方法和研究成果给予了综合的评述,针对横流中湍射流旋涡结构以往研究中研究方法的局限性(不能很好得到流动的瞬态流场及涡量场)和相应研究成果中存在的不足(大都集中在时均特性的分析,对流动的内部结构和旋涡的运动阐述很少),明确了本文的研究方法和研究内容:通过PIV流动测量显示技术得到流动的时均及瞬态流场、涡量场,来揭示横流中湍射流的时均、瞬态流场、涡量分布特性,和各种具有拟序结构性质的复杂涡系的产生、发展及演化过程;结合湍流k-ε双方程模型及相应的HFAM计算方法,对于实验进行相互验证和补充,从而更为充分地研究各种旋涡的三维特性;利用拓扑分析的一些基本原理及相关规则,依据对各种旋涡结构的分析,做出对射流近区流场拓扑性质的合理描述。

This paper, which focused on the structure optimization theory and method, has finished such studies as follows: The three dimension model has been built, which provide the necessary conditions for the building of the dynamics equivalent model. By the launch dynamics simulation, the loads of the key joints when the rocket is launched has been got, which provide the necessary data for the finite element analysis and the structure optimization. The finite element model of the excess weight parts of the rocket has been built, buy the finite element intension analysis of the model in two conditions, the displacement and the stress of the key points have been got, which make us know the distributing of the stress and the transmogrification of the part. To satisfy the intension and the precision design request and to decrease the weight of the part as many as possible, the part has been topology optimized by the structure optimization theory and method. After that, the new model has been analysis in structure and launch dynamics. The contrast of the character change of the old part and the new part and the influence on the rocket system have been studied.

本文以结构优化理论和方法为核心,主要做了以下工作:建立了某自行火箭炮全炮三维实体模型,为建立该火箭炮系统的动力学等效模型提供了必要条件,进行了发射动力学仿真,得到该火箭炮发射装置各关键连接部位在发射状态下的载荷,为有限元分析和结构优化提供了必需的数据;建立了该火箭炮发射装置超重部分的有限元模型,分两种工况,对模型进行了有限元强度分析,得出了关键部位的位移和应力值,对其的应力和变形分布有了具体的了解;运用结构优化的理论和方法,对该火箭炮发射装置超重部分进行了拓扑优化,使其在满足强度和精度的要求下尽可能多地减轻重量,对优化后得到的模型进行了结构分析和发射动力学分析,对比了该部件优化前后的特性变化以及对火箭炮系统的影响。

This paper mainly focused on some basic research as follows:(1) ANSYS finite element calculation software and the APDL design language were used to set up two model structures—the reinforced concrete floor model and the prestressed space composite trass model.

本文就该结构做了以下几点基础性研究工作:(1)利用ANSYS有限元分析软件和APDL参数设计语言建立了两个模型:钢筋混凝土楼板模型和预应力空间组合结构模型,对楼板模型和预应力空间组合结构模型分别进行了非线性静力分析,模态分析和竖向动力荷载下的非线性瞬态分析,并对两种结构的力学行为做了比较,得到了一些初步结论。

The calculated results show: the ground state structures of PtNi5, Pt2Ni4 and Pt3Ni3 clusters are quadrangular bi-pyramid, and Pt4Ni2 and Pt5Ni clusters are triangular bi-pyramid with hat and triangular pyramid with quadrilateral, respectively. From the point of view of thermodynamics, PtnNim clusters are stable because of the negative enthalpy of formation; the positive NICS of PtNi5 clusters show anti-aromaticity, The negative NICS of Pt2Ni4 and Pt5Ni clusters show aromaticity. The number of the IR absorption peak of Pt3Ni3 is the most. The IR and raman absorption peak of PtNi5 , IR of Pt2Ni4, Raman of Pt3Ni3 and Pt4Ni2 have only one. The absorption peak of Pt5Ni appears in the bigger frequencies only, and is zero almost in the small frequencies.

研究结果表明:PtNi5、、Pt2Ni4、Pt3Ni3团簇的基态结构都为四角双锥结构,Pt4Ni2 和Pt5Ni团簇的基态结构分别是戴帽三角双锥和三角锥戴四边形结构;PtnNim团簇的生成焓都为负值,表明团簇在热力学上是稳定的;由NICS值可得,PtNi5团簇具有反芳香性,Pt2Ni4和Pt5Ni团簇具有芳香性;从光谱分析来看,Pt3Ni3团簇的IR较强吸收峰的个数最多,PtNi5团簇的IR和Raman、Pt2Ni4团簇的IR、Pt3Ni3和Pt4Ni2团簇的Raman只有一个强吸收峰值,Pt5Ni团簇的峰值只出现在频率较大的位置,频率小的位置几乎为零。

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