金属配合物与核酸作用机理的理论计算

通过计算机模拟金属配合物与核酸作用机理,对其理论模型能量计算和结构优化。在不同的化学环境条件下得到不同的实验模拟结果,对真实的化学反应过程有重要的指导意义和参考意义。通过Gaussian03,Gauss View等软件的结合应用,分别应用于优化计算和理论建模,熟悉了对化学软件操作应用。     

Nonreactive atom/molecule-surface scattering within the finite basis wave packet method

A quantum wave packet code for studying nonreactive scattering of closed-shell atoms or diatomic molecules from a rigid surface is described. The time evolution relies on the Chebychev propagator. Up to 5 collider degrees of freedom, 3 in translation and 2 in rotation, are treated in a pseudospectral way with the momentum or finite basis representation as the primary space. Potential matrix elements are efficiently evaluated by means of sequential 1D transformations between momentum and coordinate spaces. Fast Fourier transforms are performed for the translational and azimuthal coordinates whereas a Gauss-Legendre transform is used for the polar coordinate. This pseudospectral strategy minimizes memory requirements because no off-diagonal Hamiltonian matrix elements need to be stored. In addition, a wide variety of physical systems can be studied since no particular functional form is imposed for the interaction potential.     

多输入单输出逆高斯分布流域汇流模型

本文将逆高斯分布应用于由水库和区间组成的复杂的流域汇流系统，并建立了多输入单输出逆高斯单位线模型。讨论了模型参数的估计方法，并对沾益流域的雨洪资料进行了实例分析。     

带状大比例尺地形图在分带接边处的接边处理

介绍带状大比例尺地形图在分带处高斯平面上拼接的原理和方法，并编制了相应的接边数据处理程序。作业实践说明，该接边方法简便实用，计算程序正确可靠。     

Modeling for soft sensor systems and parameters updating online

Soft sensor technology is an important means to estimate important process variables in real-time. Modeling for soft sensor system is the core of this technology. Most nonlinear dynamic modeling methods integrate the processes of building the dynamic and static relationships between secondary and primary variables, which limits the estimation accuracy for primary variables. To avoid the problem, a kind of soft sensor model consisting of a dynamic model in cascade with a static one is proposed. The model identification and update online are conducted in substep way. In order to improve the model update efficiency, two improved Gauss–Newton recursive algorithms, which avoid nonsingular covariance matrix, are proposed for time-invariant and time-variant soft sensor systems. The uniform convergence for dynamic model parameter and the existence of estimation deviations for static model parameters are proved for time-invariant soft sensor system. The parameters of time-variant soft sensor system would be boundedly convergent. Case study confirms that, on the basis of the proposed model and recursive algorithms, the dynamic and static characteristics of soft sensor system can be described efficiently, and the primary variables are ensured to be estimated accurately.     

压缩感知中高斯矩阵的优化研究

为了优化高斯矩阵,对部分哈达玛矩阵与高斯矩阵的统计学参数作了对比分析,确定了导致部分哈达玛矩阵信号重构能力好的主要因素,并提出了高斯矩阵优化算法.验证了优化算法对不同规模高斯矩阵的通用性和有效性,确定了优化矩阵对各种稀疏信号重构算法的适用性.最后对优化矩阵的性能作了初步的理论和实验分析,优化矩阵的信号重构能力可达到、甚至超过哈达玛矩阵.研究成果为测量矩阵的分析、设计和优化提供了新的思路和方法.     

Optimal Release Control of Companion Satellite System Using Electromagnetic Forces

Electromagnetic forces generated by the inter-action of component satellites can be used to release companion satellites. Optimal release trajectories for companion satellite system using inter-electromagnetic forces were investigated. Firstly, nonlinear relative motion dynamic equations of a two-craft electromagnetic companion satellite system were derived in spatial polar coordinates. Then principles of electromagnetic satellite formation flying were introduced. Secondly, the characteristics of the electromagnetic companion satellites release were analyzed and optimal release trajectories of companion satellites using electromagnetic forces were obtained using Gauss pseudospectral method. Three performance criteria were chosen as minimum time, minimum acceleration of the separation distance and minimum control acceleration. Finally, three release examples including expansion along separation distance, rotation in orbital plane and stable formation reconfiguration were given to demonstrate the feasibility of this method. Results indicated that the release trajectories can converge to optimal solutions effectively and the concept of release companion satellites using electromagnetic forces is practicable.     

Monel-400合金板焊接温度场有限元分析

利用ANSYS有限元分析软件,根据钨极氩弧焊焊接特点,建立了高斯衰减热源模型,并在一定厚度、一定焊接工艺条件下对Monel-400合金板焊接温度场进行了模拟计算。模拟结果分析得到：利用高斯旋转热源在焊接过程中形成了长度为12 mm,宽度为7 mm,深度为5 mm的熔池。熔池上表面与下表面温度相差约620℃,热影响区节点温度随到焊缝中心距离的增加而不断减小。模拟结果表明改进后的热源模型与实际焊接较为吻合,有利于提高焊接温度场的模拟计算精度。     

彩色自然纹理分类识别的研究

为了建立描述彩色自然纹理的参数体系,选用木材纹理这种典型彩色自然纹理为研究对象,提取了木材图像颜色矩和高斯-马尔可夫特征参数,采用改进的模拟退火算法进行了特征优化筛选及特征级参数融合,得到纹理参数体系并进行分类识别实验,识别率为97.25％,明显高于融合前单参数体系.研究表明用该参数体系对彩色木材纹理进行分类识别是可行的,也可用于与其相近彩色自然纹理的分类识别.     

基于高斯变异的人工萤火虫算法在云计算资源调度中的研究

如何合理地分配云计算资源一直都是研究的热点.建立云计算环境下的资源调度模型,通过人工萤火虫算法个体最优与云计算节点资源分配对应起来,在算法中引入高斯变异算法,通过与经典函数比较,优化后的算法在搜索精度上以及收敛速度上有了很大的提高.通过在CloudSim平台上与经典智能算法的比较,该算法能够有效地提高云计算中的资源调度性能,缩短任务完成的时间,提高系统整体处理能力.