精确搜索下的非线性共轭梯度法

该文提出一种无约束优化非线性共轭梯度法，证明了精确线性 搜索下的全局收敛性。当目标函数为一致凸函数时，证明了算法具有线性收敛速度。数值实验表明算法对于求解实际问题是有效的。     

Optimal shape design for packaging containing heating elements by inverse heat transfer method

The present study is concerned with the determination of the optimal shape for a package containing multiple heating elements. The optimization tool has been developed based on the inverse heat transfer (IHT) approach, incorporating a direct problem solver, a numerical grid generator, a direct-differentiation sensitivity analyzer, and the conjugate gradient method. Shape design that leads to a specified outer surface temperature distribution is predicted by the approach. In this study, the effects of internal heat generation on optimal shapes of the packagings have also been evaluated. Several practical cases with various imbedded heating elements and thermal conditions are studied. Results show that the approach provides an efficient computer-aided design scheme for the shape profile determination.     

一类共轭梯度法的全局收敛性结果

本文证明了在Grippo-Lucidi线搜索下当βk取βk=σ1βPRPk+σ2βnewk,其中σ1≥0,σ2≥0,σ1+σ2＞0,βnewk=gTk(gk-gk-1)/-dTk-1gk-1时一类共轭梯度法的全局收敛性,并给出了此类方法良好的数值效果.     

Flow Search Approach and New Bounds for the m-Step Linear Conjugate Gradient Algorithm

A flow search approach is presented in this paper. In the approach, each iterative process involves a subproblem, whose variables are the stepsize parameters. Every feasible solution of the subproblem corresponds to some serial search stages, the stepsize parameters in different search stages may interact mutually, and their optimal values are determined by evaluating the total effect of the interaction. The main idea of the flow search approach is illustrated via the minimization of a convex quadratic function. Based on the flow search approach, some properties of the m-step linear conjugate gradient algorithm are analyzed and new bounds on its convergence rate are also presented. Theoretical and numerical results indicate that the new bounds are better than the well-known ones.     

Elliptic systems with nonlinearity q greater or equal than two with controlled growth. Global Hölder continuity of solutions to the Dirichlet problem

Hölder regularity up to the boundary of the solutions to the Dirichlet problem for second order elliptic systems with nonlinearity q>2 and with controlled growth is proved when n?q+2.     

Shifting the Superparamagnetic Limit of Nanosized Copper Iron Spinel

In this paper we analyze trend of EFG values measured at Cd impurity in a group of semiconducting delafossites with chemical formula CuBO₂ (B = Al, Fe, Cr, Nd). We conclude that this trend reveals one of the most subtle details in electronic spectrum of the compounds: if impurity states are formed within or out of the band gap. In CuAlO₂ and CuFeO₂ the Cd EFG exhibits larger value than in CuCrO₂ and CuNdO₂, when Cd substitutes the Cu atom. This occurs because in the first two compounds the Cd forms shallow band within the gap, and in the second two compounds does not. When Cd occupies the B position it exhibits almost the same EFG in all delafossites. In this case, Cd does not form its states within the gap in none of the compounds. To arrive to these conclusions we analyzed and calculated various systems (Cd-doped CuAlO₂ and CuCrO₂ compounds, fictitious molecules), using the FP-LAPW method.     

关于多目标数学规划的最优性条件

本文讨论定义于Ｂａｎａｃｈ空间的多目标数学规划，得到一些ε－最优解和（弱）有效解的必要条件，充分条件和必要充分条件。     

Gradient- and Sensitivity-Enhanced TOCSY Experiments

A pulsed field gradient version of the sensitivity-enhanced 2D TOCSY experiment is proposed which yields high-quality spectra with improved sensitivity and a minimum of two scans pert₁increment. For rapid acquisition of 1D TOCSY spectra, the 1D DPFGSE–TOCSY experiment was modified to include phase-encoded multiple-selective excitation followed by a simple spectral editing. Combination of these two building blocks is used in a sensitivity-enhanced 2D analog of the 3D TOCSY–TOCSY experiment which provides an efficient tool for resolving severely overlapped signals of oligomers in short experimental time.     

Synthesis and characterization of functional gradient copolymers of allyl methacrylate and butyl acrylate

Functional spontaneous gradient copolymers of allyl methacrylate (A) and butyl acrylate (B) were synthesized via atom transfer radical polymerization. The copolymerization reactions were carried out in toluene solutions at 100 °C with methyl 2‐bromopropionate as the initiator and copper bromide with N,N,N′,N″,N″‐pentamethyldiethylenetriamine as the catalyst system. Different aspects of the statistical reaction copolymerizations, such as the kinetic behavior, crosslinking density, and gel fraction, were studied. The gel data were compared with Flory's gelation theory, and the sol fractions of the synthesized copolymers were characterized by size exclusion chromatography and nuclear magnetic resonance spectroscopy. The copolymer composition, demonstrating the gradient character of the copolymers, and the microstructure were analyzed. The experimental data agreed well with data calculated with the Mayo–Lewis terminal model and Bernoullian statistics, with monomer reactivity ratios of 2.58 ± 0.37 and 0.51 ± 0.05 for A and B, respectively, an isotacticity parameter for A of 0.24, and a coisotacticity parameter of 0.33. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 5304–5315, 2006     

关于正定可对称化线性代数方程组的预对称正则化算法

1引言考虑线性代数方程组A_x=b,A∈R~(n×n)非奇异,x,b∈R~n(1)的求解．当系数矩阵是大型稀疏的正定可对称化矩阵,文[1,2]讨论了一类预对称共轭梯度算法(LRSCG算法是其中之一),这类算法的实质是利用非对称的系数矩阵可对称化的性质,并结合共轭梯度法而构造的一种预处理的共轭梯度法[12,16,17]．但非对称的系数