Electronic stability of magnetic Fe/Co superlattices with monatomic layer alternation

We report a surprising observation that the growth of the [Fe(1 ML)/Co(1 ML)](n) superlattice of L1(0) structure on Cu(100) is stable only up to six atomic layers (n=3), which cannot be rationalized by stress arguments. Instead, first-principles calculations reveal a transition from the L1(0) to the B2 structure due to the effect of dimensionality on the stability of the electronic structure of the superlattice. Whereas the majority-spin electrons are energetically insensitive to the layer thickness, the minority-spin electrons induce the transition at n=3.     

Entropy of Einstein—Maxwell-Dilaton—Axion Black Holes

The entropy of Einstein—Maxwell-dilaton—axion black holes is calculated by using the improved brick-wall model. Taking into account of the statistical physics, we propose not to consider the superradiant modes. The result shows that the nonsuperradiant modes do contribute exactly the area-law entropy for extreme black hole. Moreover, our cut-off which does not require an angular cut-off is independent of angle . As for the extreme black hole, we found that its entropy is zero.     

Si-based nanoscale SiO2 islands and light-emitting source array

A SiO₂ nanoscale island array was fabricated on a Si substrate by using anodic porous alumina as a mask. Transmission electron microscopy observation and the atomic force microscopy pattern show that the arrangement of SiO₂ islands has a quasi-hexagonal symmetry. Ge ions with a dose of 1×10¹⁷ cm^-2 were subsequently implanted into the SiO₂ island array to form Ge-related light-emitting centers. The photoluminescence (PL) spectra of as-implanted and annealed samples show three PL bands at 370, 400 and 415 nm. Their intensities reach maximums in the sample with an annealing temperature of 700 °C. Spectral analysis suggests that the 370 and 415 nm PL bands arise from Ge-Ge and Ge-Si defect centers, while the 400 nm PL is related to GeO color centers in the SiO₂ islands. The existence of these PL bands indicates the formation of a Si-based nanoscale light source array. PACS 78.55.Mb; 42.72.Bj; 68.65.+g     

Photoacoustic characteristics of dynamical adhesion of films on a metallic substrate

In this communication, we report a numerical model that predicts the mechanical deformations associated with the pulsed laser irradiation of a film surface, based on thermal diffusion theory. The model is consequently advanced to produce a method for evaluating film adhesion strength. The epicenter surface displacements within the irradiated fields have been measured using a heterodyne interferometer. The comparison of the experimental data and the displacements calculated by the model shows good agreement. By investigating the propagating acoustic modes under non-destructive and destructive modes, we reveal that, with or without interface delamination, the phase structure of the longitudinal waves will be altered due to the change of reflection mode at the interface. Applying shock dynamics theory, we evaluate the adhesion strength of the TiN/stainless interface. We also indicate the strain rate can be up to 10⁵∼10⁶ s^-1 during film interface delamination. Received: 5 April 2002 / Accepted: 24 June 2002 / Published online: 26 February 2003 RID="*" ID="*"Corresponding author. Fax: +86-511/879-1919, E-mail: mzhou@ujs.edu.cn     

HAD: an automated database tool for analyzing screening hits in drug discovery

Collecting, organizing, and reviewing chemical information associated with screening hits are human time-consuming. The task depends highly on the individual, and human errors may result in missing leads or wasting resources. To overcome these hurdles, we have developed a decision support system, Hits Analysis Database (HAD). HAD is a software tool that automatically generates an ISIS database file containing compound structures, biological activities, calculated properties such as clogP, hazard fragment labels, structure classifications, etc. All data are processed by available software and packed into a single SD file. In addition to search capabilities, HAD provides an overview of structural classes and associated activity statistics. Chemical structures can be organized by maximum common substructure clustering. The ease of use and customized features make HAD a chief tool in lead selection processes.     

Inocalophyllins A,B and their methyl esters from the seeds of Calophyllum inophyllum

Fractionation of the ethanolic extract of the seeds of Calophyllum inophyllum L. has resulted in the isolation of four novel pyranocoumarin derivatives, designated as inocalophyllins A (1), B (2) and their methyl esters (3, 4) in addition to the known calophyllolide. The structures of these compounds have been determined on the basis of spectroscopic analysis including MS, heteronuclear single quantum coherence (HSQC), heteronuclear multiple bond connectivity (HMBC) and two dimensional incredible natural abundance double quantum transfer experiment (2D-INADEQUATE). Two new methylated products, 5 and 6 were also prepared by methylation of compounds 1 and 2, respectively.     

Rules on pair electron correlation in MOH (M=H,Li, Na)

In this article, the transferable property of pair correlation energies of OH components is discussed for a series of OH containing compounds MOH (M=H, Li, Na). In this series of compounds, from OH free radicals through HOH, LiOH, NaOH to OH^?, both the intra‐ and interpair correlation energies and intra‐ and intershell correlation energies of the inner orbital electrons change little. The 1s$_{\mathrm{O}}^{2}$ is very much alike in all the above OH containing systems and such a pair correlation is transferable. But the interpair correlation and intrashell correlation energies of the valence electrons are large and change a lot in all systems. In MOH molecules, the OH correlation energy contribution increases with the increase of the ionic bond strength of the compound and this contribution is always between the correlation energy values of OH free radicals and OH^? atomic groups. For strong ionic compounds, we present a very simple method to estimate the correlation energy by adding the correlation energies of its component ions within the chemical accuracy (2 kcal/mol). © 2001 John Wiley & Sons, Inc. Int J Quant Chem 83: 311–317, 2001     

Transfer ionization cross-sections measured in collisions of highly charged argon ions with neon target

: Multiple electron transfer processes are studied for Arq+n- Ne (q= 8, 9, 11, 12) collisions by using multi-parameter coincidence techniques. Various electron transfer processes are identified experimentally and the related cross-sections are measured. The dependence of transfer ionization cross-sections on the recoil charge states is compared with the results from the modified molecular classical overbarrier model. It is found that the modified model described the experimental results reasonably.     

Infinitely many solutions of dirichlet problem for <Emphasis Type="Italic">p</Emphasis>-mean curvature operator

The existence of infinitely many solutions of the following Dirichlet problem for p-mean curvature operator: is considered, where Θ is a bounded domain in R ⁿ (n>p>1) with smooth boundary ∂Θ. Under some natural conditions together with some conditions weaker than (AR) condition, we prove that the above problem has infinitely many solutions by a symmetric version of the Mountain Pass Theorem if . Supported by the National Natural Science Foundation of China (10171032) and the Guangdong Provincial Natural Science Foundation (011606).