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Corrole和Corrolazine的结构及其内氢迁移反应的理论研究
采用B3LYP/6.31G**方法在Gaussian03程序下,对Corrole(CH3)和Corrolazine(C2H3)体系进行结构优化和振动分析.结果显示,CH3和C2H3的不同构型稳定性差异可忽略不计,结构参数的变化则说明中心空穴的大小顺序为PH2〉CH3〉PzH2〉C2H3.优化不同构型间相互转化的IHAT反应的过渡态,并进行相关的比较计算,发现CH3和C2H3的正反应速率都明显大于PH2和P2H2;同时CH3和C2H3的非平面构型的电子效应远大于PH2和P2H2的平面离域体系的平均化电子效应.廖玉婷,饶火瑜,王秋月,胡宝群 - 计算机与应用化学文章来源: 万方数据 -
Most of recent research on carbody lightweighting has focused on substitute material and new processing technologies rather than structures.However,new materials and processing techniques inevitably lead to higher costs.Also,material substitution and processing lightweighting have to be realized through body structural profiles and locations.In the huge conventional workload of lightweight optimization,model modifications involve heavy manual work,and it always leads to a large number of iteration calculations.As a new technique in carbody lightweighting,the implicit parameterization is used to optimize the carbody structure to improve the materials utilization rate in this paper.The implicit parameterized structural modeling enables the use of automatic modification and rapid multidisciplinary design optimization(MDO)in carbody structure,which is impossible in the traditional structure finite element method(FEM)without parameterization.The structural SFE parameterized model is built in accordance with the car structural FE model in concept development stage,and it is validated by some structural performance data.The validated SFE structural parameterized model can be used to generate rapidly and automatically FE model and evaluate different design variables group in the integrated MDO loop.The lightweighting result of body-in-white(BIW)after the optimization rounds reveals that the implicit parameterized model makes automatic MDO feasible and can significantly improve the computational efficiency of carbody structural lightweighting.This paper proposes the integrated method of implicit parameterized model and MDO,which has the obvious practical advantage and industrial significance in the carbody structural lightweighting design.- 中国机械工程学报文章来源: 万方数据
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Many attentions for structural synthesis are paid to planar linkages and parallel mechanisms, while design novel pyramid deployable truss structure(PDTS) of satellite SAR mainly depends on experience of designer. To design novel configuration of PDTS, a two-step topology structure synthesis and analysis approach is proposed. Firstly, a conceptual configuration of PDTS is synthesized. Weighted graph and weighted adjacency matrix are established to realize topological description for PDTS. Graph properties are then summarized to distinguish differentia between PDTS and other type structures. According to graph properties, a procedure for synthesis conceptual configuration of PDTS is presented. Secondly, join relationship of components in a PDTS is analyzed. Kinematic chain and corresponding incidence/adjacency matrix are employed to analyze join relationship of PDTS. Properties and simplified rules of kinematic chain are extracted to construct kinematic chain. A procedure for construction kinematic chain of PDTS is then established. Finally, with this two-step approach all 11 rectangular pyramid deployable structures whose folded state is planar are discovered and their kinematic chains are constructed. Based on synthesis results, a novel deployable support structure for satellite SAR is designed. The proposed research can be applied to obtain some novel PDTSs, which is of great importance to design some novel deployable support structures for satellite SAR antenna.- 中国机械工程学报文章来源: 万方数据
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Due to the insufficiency of utilizing knowledge to guide the complex optimal searching, existing genetic algorithms fail to effectively solve excavator boom structural optimization problem. To improve the optimization efficiency and quality, a new knowledge-based real-coded genetic algorithm is proposed. A dual evolution mechanism combining knowledge evolution with genetic algorithm is established to extract, handle and utilize the shallow and deep implicit constraint knowledge to guide the optimal searching of genetic algorithm circularly. Based on this dual evolution mechanism, knowledge evolution and population evolution can be connected by knowledge influence operators to improve the configurability of knowledge and genetic operators. Then, the new knowledge-based selection operator, crossover operator and mutation operator are proposed to integrate the optimal process knowledge and domain culture to guide the excavator boom structural optimization. Eight kinds of testing algorithms, which include different genetic operators, are taken as examples to solve the structural optimization of a medium-sized excavator boom. By comparing the results of optimization, it is shown that the algorithm including all the new knowledge-based genetic operators can more remarkably improve the evolutionary rate and searching ability than other testing algorithms, which demonstrates the effectiveness of knowledge for guiding optimal searching. The proposed knowledge-based genetic algorithm by combining multi-level knowledge evolution with numerical optimization provides a new effective method for solving the complex engineering optimization problem.- 中国机械工程学报文章来源: 万方数据
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热容腔结构参数对近膜面流动的影响
应用粒子图像测速技术(PIV)对膜蒸馏系统热容腔结构参数影响近膜面处的流动情况进行正交试验,考察喷管前端距膜面的距离δ和喷管中心线与热容腔径向夹角β对流场的影响.试验结果表明,合理布置热容腔的结构参数组合可以使膜面冲刷速度增大,对膜面的有效冲刷面积也增大,更好的破坏温度极化和浓度极化,使系统的膜通量增加.对于试验中采用的膜蒸馏系统,最优的结构参数组合是第32组试验,δ1、δ2、δ3,β1、β2、β3的取值分别为4 mm、3mm、4 mm,50°、35°、25°.流量也是试验中一个重要的影响因素,随着流量的增加,膜面处切向速度增大,对膜面的作用力增大,但是在增大系统流量提高切向冲刷速度的同时,应该考虑膜的机械强度.试验为膜蒸馏系统内部流动的深入研究提供了试验数据和测试经验,可为膜蒸馏系统结构设计的改进和膜蒸馏系统效率的提高提供了参考.陈永艳,田瑞,高志鹰,东雪青 - 膜科学与技术文章来源: 万方数据 -
基于相位-致结构相似度的图像质量评价方法
针对结构相似度(SSIM)模型不能对模糊和高纹理图像进行较好的质量评价,提出一种基于相位一致结构相似度(MPCSSIM)的全参考图像质量评价方法.该方法保留SSIM中的亮度函数和对比度函数,将结构函数替换成相位一致函数,然后将三者结合起来进行质量评价.实验中LIVE数据库上的计算结果与主观评分的线性相关系数和斯皮尔曼相关系数分别为0.9501和0.9362.实验结果表明相位一致能够更好地提取图像的结构信息,该方法有较好的性能,能够更准确地评价模糊图像和高纹理图像的质量.苏媛媛,桑庆兵 - 计算机应用文章来源: 万方数据 -
河北省引黄输水水质变化特征分析
河北省引黄输水工程是解决河北省水资源危机的有效措施.从1993年开始的引黄输水工程,为缓解河北省水资源紧张发挥了重要作用.通过对引黄输水水质监测结果分析,通过对8次引黄输水水质评价,在对所监测的项目中.有3次输水没有超标现象,有3次污染物的超标倍数小于或等于1,有2次超标倍数在1.2~2.8之间.从输水水质主要污染物分析,主要污染物为氨氮、挥发酚、总磷、总锰、总镉.根据对黄河水源水质资料分析,氮类污染和金属类污染主要受缓和黄河水源的影响,挥发酚、总磷污染主要受河道环境的污染.通过对引黄调水水质评价,受黄河水源和沿途河道的影响,引黄调水水质存在较大的不确定性.因此应加强对引黄调水水质的监测,为用水部门及时提供调水水质信息,以便制宰相席的用水方案.张家兴,张学知 - 南水北调与水利科技文章来源: 万方数据

