宽带膜厚实时监控过程中膜层折射率的确定方法

为了准确计算出镀膜过程中每层膜的折射率，介绍了实时监控过程中确定膜层折射率的2种方法：一种是由实测的透射比光谱直接反算出膜层的折射率；另一种是用最小二乘法的优化算法实时拟合折射率。试验结果表明：在线反算适合单点监控，所得折射率误差小于2%。然而在实际镀膜过程中,由于宽带内膜层参数误差较大,一般大于25%。为此，采用最小二乘法拟合，即在整个宽光谱范围内采集每个波长点的信息，所得结果误差很小，一般都在2％～5%之间,有时可达到10%,在很大程度上提高了实际镀膜时膜厚监控的精度。     

掺钕聚甲基丙烯酸甲酯的光学特性

研究了制备的掺钕螯合物Nd(DBM)3Phen材料的吸收光谱、激发光谱、荧光光谱,应用Judd-Ofelt理论计算了该材料的强度参量．分析了钕离子激发态4F3／2的辐射寿命(631 μs)和4F3／2→4IJ′跃迁的受激发射截面和荧光分支比．     

A Modified Quasi-Newton Method for Structured Optimization with Partial Information on the Hessian

This paper develops a modified quasi-Newton method for structured unconstrained optimization with partial information on the Hessian, based on a better approximation to the Hessian in current search direction. The new approximation is decided by both function values and gradients at the last two iterations unlike the original one which only uses the gradients at the last two iterations. The modified method owns local and superlinear convergence. Numerical experiments show that the proposed method is encouraging comparing with the methods proposed in [4] for structured unconstrained optimization Presented at the 6th International Conference on Optimization: Techniques and Applications, Ballarat, Australia, December 9–11, 2004     

烷基硫酸盐表面张力的量子化学研究

用AMl量子化学计算法优化了十三烷基硫酸根阴离子和——CH3在不同取代位的十二烷基硫酸根阴离子的几何构型，得到最优构型时最高占据分子轨道能级EHOMO、最低空轨道能级ELUMO、电子能量Eele和偶极矩μ等数据．将这些电子结构数据分别与表面张力相拟合，得到很好的相关性。文中讨论了——CH3在不同位置取代对表面张力的影响。     

弱(L_1,L_2)-BLD映射的正则性

本文首先将文［１］中的ＢＬＤ映射推广为弱（Ｌ１，Ｌ２）－ＢＬＤ映射，并证明了如下正则性结果：存在两个可积指数 Ｐ１＝Ｐ１（ｎ，Ｌ１，Ｌ２）＜ｎ＜ｑ１＝ｑ１（ｎ，Ｌ１，Ｌ２），使得对任意弱（Ｌ１，Ｌ２）－ＢＬＤ映射ｆ∈（Ω，Ｒｎ），都有ｆ∈（Ω，Ｒｎ），即ｆ为（Ｌ１，Ｌ２）－ＢＬＤ映射．     

解奇异非光滑方程组的牛顿法和不精确牛顿法

本文主要解决奇异非光滑方程组的解法。应用一种新的次微分的外逆，我们提出了牛顿法和不精确牛顿法，它们的收敛性同时也得到了证明。这种方法能更容易在一引起实际应用中实现。这种方法可以看作是已存在的解非光滑方程组的方法的延伸。     

Approximation of photonuclear interaction cross-sections

Photonuclear interaction cross-sections from the GEANT4 database are approximated for all nuclei and all energies (from the hadron production threshold to about 40 TeV). The approximation methods in the giant-dipole resonance region, nucleon resonance region, and high-energy region are improved with respect to existing approximations. As an application of the approximation for photonuclear cross-sections, an improved method of calculating electronuclear cross-sections is developed. The interaction cross-section of virtual photons with nuclei at high Q² are approximated and a simple algorithm for describing the electronuclear reactions, including high-Q² scattering, is proposed. Received: 22 February 2002 / Accepted: 6 May 2002     

Chemical bonding in isolated molecules and crystals of zwitterionic pentacoordinate silicon chelates

The electronic structures of a number of zwitterionic pentacoordinate silicon chelates were investigated using the results of X-ray diffraction studies and quantum-chemical calculatoins by the MPW1PW91/6-311G(d) method. The topological analysis of the electron density distribution function and the study in the framework of the natural bond orbital partitioning scheme showed that the character of chemical bonding in the axial fragments of the molecules under consideration changes from dative to three-center, four-electron as the silicon atom assumes a trigonal-bipyramidal coordination.     

Asymptotique de la norme $L^2$ d'un cycle géodésique dans les revêtements de congruence d'une variété hyperbolique arithmétique

Let M be an arithmetic hyperbolic manifold and be a codimension 1 geodesic cycle. In this paper, we study the asymptotic growth of the -norm of the lifts of F in the congruence tower above M. We obtain an explicit value for the growth rate of this norm. In particular, we provide a new proof of a celebrated result of Millson [Mi] on the homology of the arithmetic hyperbolic manifolds. The method is quite general and gives a new way of getting non zero homology classes in certain locally symmetric spaces. Received: 20 April 2001; in final form: 26 September 2001 / Published online: 28 February 2002     

Biodegradable/biocompatible ABC triblock copolymer bearing hydroxyl groups in the middle block

New biodegradable/biocompatible ABC block copolymers, poly(ethylene oxide)‐b‐poly(glycidol)‐b‐poly(L ,L ‐lactide) (PEO‐PGly‐PLLA), were synthesized. First, PEO‐b‐poly(1‐ethoxyethylglycidol)‐b‐PLLA was synthesized by a successive anionic ring‐opening copolymerization of ethylene oxide, 1‐ethoxyethylglycidyl ether, and L ,L ‐lactide initiated with potassium 2‐methoxyethanolate. In the second step, the 1‐ethoxyethyl blocking groups of 1‐ethoxyethylglycidyl ether were removed at weakly acidic conditions leaving other blocks intact. The resulting copolymers were composed of hydrophilic and hydrophobic segments joined by short polyglycidol blocks with one hydroxyl group in each monomeric unit. These hydroxyl groups may be used for further copolymer transformations. The PEO‐PGly‐PLLA copolymers with a molecular weight of PLLA blocks below 5000 were water‐soluble. Above the critical micellar concentration (ranging from 0.05 to1.0 g/L, depending on the composition of copolymer), copolymers formed macromolecular micelles with a hydrophobic PLLA core and hydrophilic PEO shell. The diameters of the micelles were about 25 nm. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 3750–3760, 2003