非晶Nd-Fe薄膜电阻的温度效应与非晶稳定性

用闪光蒸镀法在77K制备了Nd_xFe_1-x(x=0.06-0.80)非晶薄膜,原位测定了其电阻随温度的变化。结果表明:在0.192和ρ(T)∝T。晶化不是在一个固定的温度,而是在一个温度区间发生。     

Frontiers in 2D NMR of paramagnetic metalloproteins

The possibilities and the limitations of 2D NMR for the structural characterization of paramagnetic metalloproteins are reviewed. We survey the general strategies for 2D¹H NMR investigations of hyperfine shifted signals. Careful adaptation of classical 2D NMR experiments to fast relaxing systems results in the detection of previously not observed scalar and dipolar connectivities, thus leading to the specific assignment of selected resonances. The approach is of general applicability for paramagnetic metalloproteins. We report here on the application of the application of the method to an iron sulfur protein and a heme protein. In both cases specific assignment of several hyperfine shifted signals, corresponding to active site protons, were obtained; this allowed significant insight into the structure-function relationships of these metalloproteins.     

一类Narcissistic反应过渡态的优化

我们对一类narcissistic 反应XCH_2-CH_2Y→[过渡态TS]→YCH_2—CH_2X (1)进行了研究,结果表明其过渡态能在对称性限制下由能量极小化方法较容易地给出. 采用IMSPAK分子轨道从头算程序,在IBM VM/370计算机系统上用STO—3G极小基组以平衡几何构型的能量梯度优化方法,在对称性限制下对反应(1)的几种反应体系的过渡态构型进行了优化,其结果列于表1.     

Some inverse problems of internal-diffusion kinetics of adsorption

Methods are proposed for determining the diffusion coefficients of adsorbed molecules and the adsorption isotherms from given concentrations of the solutes in the external solution. The methods are based on a comparison of experimental data with the numerical results produced by a mathematical model of internal-diffusion kinetics of adsorption from a constant bounded volume.Translated from Vychislitel'naya i Prikladnaya Matematika, No. 66, pp. 41–46, 1988.     

Generalized exponents of primitive simple graphs

The exponent of a primitive digraph has been generalized in [2]. In this paper we obtain new parameters on generalized exponent of primitive simple graphs (symmetric primitive (0,1) matrices with zero trace) completely.     

Optimal convex hull algorithms on enhanced meshes

In this paper we propose time-optimal convex hull algorithms for two classes of enhanced meshes. Our first algorithm computes the convex hull of an arbitrary set ofn points in the plane inO (logn) time on a mesh with multiple broadcasting of sizen×n. The second algorithm shows that the same problem can be solved inO (1) time on a reconfigurable mesh of sizen×n. Both algorithms achieve time lower bounds for their respective model of computation.This work was supported by NASA under grant NCCI-99.Additional support by the National Science Foundation under grant CCR-8909996 is gratefully acknowledged.     

The star chromatic number of a graph

We study a generalization of the notion of the chromatic number of a graph in which the colors assigned to adjacent vertices are required to be, in a certain sense, far apart. © 1993 John Wiley & Sons, Inc.     

Si1－xGex/Si量子阱发光材料的分子束外延生长及其结构研究

采用固源Si分子束外延,在较高的生长温度于Si(100)衬底上制备出Si1－xGex/Si量子阱发光材料。发光样品的质量和特性通过卢瑟福背散射、X射线双晶衍射及光致发光评估。背散射实验中观察到应变超晶格的反常沟道效应;X射线分析表明材料的生长是共度的、无应力释放的,结晶完整性好。低温光致发光主要是外延合金量子阱中带边激子的无声发射和横光学声子参与的激子复合。并讨论了生长温度对量于阱发光的影响。     

Optical behaviour of photoimageable cholesteric liquid crystal cells with various novel chiral compounds

In theory, both polarity and steric hindrance are basic factors which affect molecular interactions. To investigate the optical properties and steric structures of chiral compounds having different chiral moieties which affect the wavelength of light reflection in liquid crystal (LC) cells, a series of novel chiral compounds and azobenzene derivatives were synthesized. The liquid crystalline phases of the compounds were identified using small angle X-ray diffraction, differential scanning calorimetry and polarizing optical microscopy. Cholesteric LC cells with various synthesized chiral dopants which selectively reflect visible light were first prepared, the photochemical switching behaviour of colours was then investigated, with special reference to the change in transmittance in cholesteric LC cells containing an azobenzene derivative as a photoisomerizable guest molecule. Reversible isomerization of azobenzene molecules occurred in the cholesteric systems, resulting in a depression of T_ChI and a shift of the selectively reflected wavelength. We discuss the photochemically driven change in the helical pitch of the cholesteric LCs with respect to structural effects involving the chiral moieties. Molecular interactions caused by the added dopants, reliability and stability of the photoisomerization, and UV irradiation effects on the cholesteric LC cells were also investigated. A real image was recorded through a mask on a cholesteric LC cell fabricated in this investigation.     

Synthesis, thermal treatment and characterization of cobalt ferrite-based nanocomposites

We have used time-differential perturbed angular correlation (PAC) spectroscopy with ¹⁸¹Ta-probes to study the electric field gradient at Zr-sites in synthetic zircon and hafnon between room temperature and 1,200°C. PAC spectra are similar to those obtained from naturally occurring zircons. In particular, a change in slope of the quadrupole coupling vs. temperature is observed in the synthetic zircon at the same temperature as seen in natural zircons from the Mud Tank carbonatite (Australia). The synthetic hafnon data also shows this feature but at somewhat higher temperature. Low-temperature PAC spectra of both synthetic zircon and hafnon have a clearly reduced anisotropy. We believe that the cause for this is a electronic defect, possibly created during the β-decay of the probe parent nucleus.