Vibrational spectra and ab initio computations of sarcosinium oxalate monohydrate

Single crystals of sarcosinium oxalate monohydrate (SOM) are grown by the slow-evaporation technique at ambient temperature, and vibrational spectroscopic analysis is carried out using NIR-FT Raman, FT-IR, and SERS spectra. The normal mode frequencies and corresponding vibrational analysis of SOM are examined theoretically using the Gaussian’98 set of quantum chemical codes. The two bands present in the SOM ν C=O region, clearly observed in the Raman spectrum, are assigned to “free” and “bonded” carbonyl groups with the hydrogen atom. Vibrational analysis indicates the presence of C-H—O hydrogen bonding interaction producing a blueshift of the C-H stretching frequency.     

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．     

Carbon nanotube based bolometer

The contacts of single carbon nanotubes and bundles of carbon nanotubes with superconducting and metallic electrodes are investigated in order to create bolometers and electron coolers. Tunneling contacts of the carbon nanotubes with aluminum electrodes are obtained. The current-voltage characteristics of junctions are analyzed for temperatures from room temperature to 300 mK. The resistance of individual nanotubes is primarily determined by defects and is too large for applications. The use of the bundles of carbon nanotubes makes it possible to considerably reduce the resistance of the bolometer, which is determined by a small number of conducting tubes with good tunneling contacts with the electrodes. The energy gap is equal to hundreds and tens of millivolt in the former and latter cases, respectively. Structures containing bundles of carbon nanotubes can be described in a model with a Schottky barrier. The samples with bundles of carbon nanotubes exhibit the bolometric response to external high-frequency radiation at a frequency of 110 GHz with an amplitude up to 100 μV and a temperature voltage response to 0.4 mV/K.     

Reductions of interval nonlinear programming problem

A general nonlinear programming problem with interval functions is considered. Two reductions of this problem to the deterministic nonlinear programming problem are proposed, and illustrative examples are discussed.     

Numerical analysis of the spiral Couette flow of a rarefied gas between coaxial cylinders

An implicit quasi-monotone second-order accurate method is proposed for analyzing the spiral Couette flow of a rarefied gas between coaxial cylinders. The basic advantages of the method over the conventional method of stationry iterations are that the former is conservative with respect to the collision integral, has a simple software implementation for any types of boundary conditions, and applies to a wide range of Knudsen numbers.     

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     

On isomorphic factorizations of circulant graphs

We investigate the conjecture that every circulant graph X admits a k‐isofactorization for every k dividing |E(X)|. We obtain partial results with an emphasis on small values of k. © 2006 Wiley Periodicals, Inc. J Combin Designs 14: 406–414, 2006     

Projective geometry and special relativity

Some concepts of real and complex projective geometry are applied to the fundamental physical notions that relate to Minkowski space and the Lorentz group. In particular, it is shown that the transition from an infinite speed of propagation for light waves to a finite one entails the replacement of a hyperplane at infinity with a light cone and the replacement of an affine hyperplane – or rest space – with a proper time hyperboloid. The transition from the metric theory of electromagnetism to the pre‐metric theory is discussed in the context of complex projective geometry, and ultimately, it is proposed that the geometrical issues are more general than electromagnetism, namely, they pertain to the transition from point mechanics to wave mechanics.     

Semi‐analytical integration of the 8‐node plane element stiffness matrix using symbolic computation

The semi‐analytical integration of an 8‐node plane strain finite element stiffness matrix is presented in this work. The element is assumed to be super‐parametric, having straight sides. Before carrying out the integration, the integral expressions are classified into several groups, thus avoiding duplication of calculations. Symbolic manipulation and integration is used to obtain the basic formulae to evaluate the stiffness matrix. Then, the resulting expressions are postprocessed, optimized, and simplified in order to reduce the computation time. Maple symbolic‐manipulation software was used to generate the closed expressions and to develop the corresponding Fortran code. Comparisons between semi‐analytical integration and numerical integration were made. It was demonstrated that semi‐analytical integration required less CPU time than conventional numerical integration (using Gaussian‐Legendre quadrature) to obtain the stiffness matrix. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2006     

Vibrational dynamics of fullerene molecules adsorbed on metal surfaces studied with synchrotron infrared radiation

Infrared (IR) spectroscopy of chemisorbed C₆₀ on Ag (111), Au (110) and Cu (100) reveals that a non-IR-active mode becomes active upon adsorption, and that its frequency shifts proportionally with the charge transferred from the metal to the molecule by about 5 cm^-1 per electron. The temperature dependence of the frequency and the width of this IR feature have also been followed for C₆₀/Cu (100) and were found to agree well with a weak anharmonic coupling (dephasing) to a low-frequency mode, which we suggest to be the frustrated translational mode of the adsorbed molecules. Additionally, the adsorption is accompanied by a broadband reflectance change, which is interpreted as due to the scattering of conduction electrons of the metal surface by the adsorbate. The reflectance change allows determination of the friction coefficient of the C₆₀ molecules, which results in rather small values (∼2×10⁹ s^-1 for Ag and Au, and ∼1.6×10⁹ s^-1for Cu), consistent with a marked metallic character of the adsorbed molecules. Pre-dosing of alkali atoms onto the metal substrates drastically changes the IR spectra recorded during subsequent C₆₀ deposition: anti-absorption bands, as well as an increase of the broadband reflectance, occur and are interpreted as due to strong electron–phonon coupling with induced surface states. Received: 6 June 2001 / Accepted: 23 October 2001 / Published online: 3 April 2002