Computational studies on the radiative and nonradiative processes of luminescent N-heteroleptic platinum(II) complexes

Three N-heteroleptic Pt(II) complexes, [Pt(C^C)(O^O)] [O^O = acetylacetonate, C^C = 1-phenyl-1,2,4-triazol-5-ylidene (1), C^C = 4-phenyl-1,2,4-triazol-5-ylidene (2), C^C = 2-phenylpyrazine (3)] have been investigated with density functional theory (DFT) and time-dependent density functional theory (TDDFT). The radiative decay rate constants of complexes 1–3 have been discussed with the oscillator strength (f_n), the strength of spin–orbit coupling (SOC) interaction between the lowest energy triplet excited state (T₁) and singlet excited states (S_n), and the energy gaps between E(T₁) and E(S_n). To illustrate the nonradiative decay processes, the transition states between triplet metal-centered (³MC) and T₁ states have been optimized and were verified with the calculations of vibrational frequencies and intrinsic reaction coordinate (IRC). In addition, the minimum energy crossing points (MECPs) between ³MC and ground states (S₀) were optimized. At last, the potential energy curves relevant to the nonradiative decay pathways are simulated. The results show that complex 3 has the biggest photoluminescence quantum yield because the complex 3 has the biggest radiative decay rate constant and the smallest nonradiative decay rate constant in complexes 1–3.     

Improving the multi-objective evolutionary optimization algorithm for hydropower reservoir operations in the California Oroville–Thermalito complex

This study demonstrates the application of an improved Evolutionary optimization Algorithm (EA), titled Multi-Objective Complex Evolution Global Optimization Method with Principal Component Analysis and Crowding Distance Operator (MOSPD), for the hydropower reservoir operation of the Oroville–Thermalito Complex (OTC) – a crucial head-water resource for the California State Water Project (SWP). In the OTC's water-hydropower joint management study, the nonlinearity of hydropower generation and the reservoir's water elevation–storage relationship are explicitly formulated by polynomial function in order to closely match realistic situations and reduce linearization approximation errors. Comparison among different curve-fitting methods is conducted to understand the impact of the simplification of reservoir topography. In the optimization algorithm development, techniques of crowding distance and principal component analysis are implemented to improve the diversity and convergence of the optimal solutions towards and along the Pareto optimal set in the objective space. A comparative evaluation among the new algorithm MOSPD, the original Multi-Objective Complex Evolution Global Optimization Method (MOCOM), the Multi-Objective Differential Evolution method (MODE), the Multi-Objective Genetic Algorithm (MOGA), the Multi-Objective Simulated Annealing approach (MOSA), and the Multi-Objective Particle Swarm Optimization scheme (MOPSO) is conducted using the benchmark functions. The results show that best the MOSPD algorithm demonstrated the best and most consistent performance when compared with other algorithms on the test problems. The newly developed algorithm (MOSPD) is further applied to the OTC reservoir releasing problem during the snow melting season in 1998 (wet year), 2000 (normal year) and 2001 (dry year), in which the more spreading and converged non-dominated solutions of MOSPD provide decision makers with better operational alternatives for effectively and efficiently managing the OTC reservoirs in response to the different climates, especially drought, which has become more and more severe and frequent in California.     

Stereo matching cost computation based on nonsubsampled contourlet transform

A new matching cost computation method based on nonsubsampled contourlet transform (NSCT) for stereo image matching is proposed in this paper. Firstly, stereo image is decomposed into high frequency sub-band images at different scales and along different directions by NSCT. Secondly, by utilizing coefficients in high frequency domain and grayscales in RGB color space, the computation model of weighted matching cost between two pixels is designed based on the gestalt laws. Lastly, two types of experiments are carried out with standard stereopairs in the Middlebury benchmark. One of the experiments is to confirm optimum values of NSCT scale and direction parameters, and the other is to compare proposed matching cost with nine known matching costs. Experimental results show that the optimum values of scale and direction parameters are respectively 2 and 3, and the matching accuracy of the proposed matching cost is twice higher than that of traditional NCC cost.     

Cu基络合物催化甲醇液相氧化羰化反应

针对甲醇液相氧化羰基化法合成碳酸二甲酯(DMC)工艺,开发了新型Cu基络合催化剂(CuB rnLm)。对CuB rnLm催化剂的活性及其稳定性进行了研究。实验结果表明,采用该催化剂,甲醇转化率和DMC选择性较高;元素价态和物质结构分析表明,CuB rnLm催化剂循环使用5次后仍保持较好的稳定性。采用正交设计和中心响应曲面法设计实验,并使用S tatistica软件进行统计分析,寻求出反应的主要影响因素,并得到优化的工艺条件:反应温度100~110℃、反应压力3.0~3.5M Pa、反应时间4~6h、CuB rnLm催化剂质量浓度(以甲醇的体积计)0.15~0.20g/mL。在此工艺条件下,甲醇转化率可达23%以上,DMC的选择性为96%~98%。     

Poly(vinyl pyrrolidone)—C70 complexes in aqueous solutions

Aqueous solutions of poly(vinyl pyrrolidone)-fullerene complexes (PVP-C₇₀) have been studied using static and dynamic light scattering methods. Two diffusive processes were detected. The slow diffusion was interpreted as dynamics of large intermolecular PVP-C₇₀ complexes while the fast diffusion was associated with the presence of individual PVP molecules in solution. It was also shown that the molecular weights and dimensions of PVP-C₇₀ complexes are smaller than for PVP-C₆₀ by a factor of 2.5-3. In aqueous solutions of PVP-C₇₀ complex the depolarization and dissymmetry of scattered light were observed in contrast to PVP-C₆₀ solutions. It reveals the existence of anisotropic structures in PVP-C₇₀ solutions. Intermolecular interactions within PVP-C₇₀ complexes are weak and a hydrodynamic field can destroy complexes.     

应用时频分析方法辨识时变系统的模态参数

应用Gabor展开及Hilbert变换进行时变线性系统模态参数的辨识。利用非平稳信号的Gabor变换将结构响应信号表示在时频面上，并通过Gabor展开重构分离模态分量，建立每一阶模态的时变线性模型。对单模态时变线性模型应用Hilbert变换来辨识随时间变化的模态频率和阻尼。通过对刚度和阻尼慢变的两自由度系统模态参数的仿真辨识验证辨识方法的有效性。仿真结果表明：本文方法为时变线性系统的模态参数辨识提供了一条新的途径。     

小波变换在光谱特征提取方面的应用

人们在处理高光谱图像时一般要对一些典型地物进行光谱分析、特征波段的提取,以便提取出最大量的有效信息,剔除无用或冗余的信息,然后再进行分类识别.采用小波变换的分析方法,选用合适的小波进行分解,根据分解后的高频分量中包含的重要信息,利用局部相邻的正负极值点找出对应于原始光谱曲线上每个吸收带的左右边界;利用局部过零点,即可比较精确的提取出各个吸收带的中心波长.该方法比传统的光谱特征提取方法更简洁、有效,实验证明为一种比较理想的光谱特征提取方法.     

The Two-Dimensional Clifford-Fourier Transform

Recently several generalizations to higher dimension of the Fourier transform using Clifford algebra have been introduced, including the Clifford-Fourier transform by the authors, defined as an operator exponential with a Clifford algebra-valued kernel. In this paper an overview is given of all these generalizations and an in depth study of the two-dimensional Clifford-Fourier transform of the authors is presented. In this special two-dimensional case a closed form for the integral kernel may be obtained, leading to further properties, both in the L ₁ and in the L ₂ context. Furthermore, based on this Clifford-Fourier transform Clifford-Gabor filters are introduced. AMS subject classification numbers: 42B10, 30G35 Fred Brackx received a diploma degree in mathematics from Ghent University, Belgium, in 1970 and a Ph.D. degree in mathematics from the same university in 1973. Since 1984 he is professor for mathematical analysis at Ghent University and currently he is leading the Clifford Research Group. His main interests are function theory and functional analysis for functions with values in quaternion and Clifford algebras. The research covers Clifford distributions, generalized Fourier, Radon and Hilbert transforms, orthogonal polynomials and multi-dimensional wavelets. Nele De Schepper received a diploma degree in mathematics from Ghent University, Belgium, in 2001. Since then she holds an assistantship at the Department of Mathematical Analysis of Ghent University and is a member of the Clifford Research Group. Her main interests are function theory and functional analysis for functions with values in Clifford algebras. The research covers generalized Fourier transforms, orthogonal polynomials and multi-dimensional wavelets. Frank Sommen received a diploma degree in mathematics from Ghent University, Belgium, in 1978, a Ph.D. degree in mathematics from the same university in 1980, and a habilitation degree in mathematical analysis in 1984. From 1978 until 1999 he was at the National Fund for Scientific Research (Flanders). Since 2000 he holds a Research professorship at Ghent University. His main interests are function theory and functional analysis for functions with values in quaternion and Clifford algebras. The research covers Clifford distributions, generalized Fourier, Radon and Hilbert transforms, orthogonal polynomials and multi-dimensional wavelets, algebraic analysis, hyperfunctions and radial algebra.     

提取地震信号高频信息方法的若干问题

岩性油气藏勘探已成为当代油气勘探的重要组成部分,因此提取地震资料高频信息已成为一个重要研究课题。文中对分辨率、分频处理地震信号、波阻抗反演中的一些问题进行了较深入的讨论,并得出以下认识:1要提高垂向和横向分辨率,必须设法提高野外采集地震资料的频率;2地震分频处理是偏移后提高分辨率的常用方法之一,这种方法应该限定在地震波的有效频带内,而超出有效频带,可能会带来很多假像;3低频合成地震记录中高频反射系数存在不确定性。在基于模型波阻抗反演的方法中,反演结果受初始模型的影响非常大,初始模型是依据测井资料建立的,初始模型与实际情况越接近,反演效果就越好;否则,会产生模型化的现象;4在相对波阻抗数据体(相当于地震数据体)作为约束条件下的SP测井参数协克里金插值是正演过程,消除了模型化的问题,使反演结果更接近真实情况,提高了砂层真实的分辨率。     

地震平衡技术及其在地震反演中的应用

地震平衡技术是一种在地震反演中改善井震关系的新技术。它通过单井对比、空间分形建模以及平衡处理的手段 ,克服地震反演中子波空变的影响 ,使得经过地震平衡技术处理的地震剖面井震关系得到较好改善 ,从而可以用统一的子波对研究区的地震资料进行反演