On stability boundary of linear multi-parameter Hamiltonian systems

In this paper an approximate equation is derived to describe smooth parts of the stability boundary for linear Hamiltonian systems, depending on arbitrary number of parameters. With this equation, we can obtain parameters corresponding to the stability boundary, as well as to the stability and instability domains, provided that one point on the stability boundary is known. Then differential equations describing the evolution of eigenvalues and eigenvectors along a curve on the stability boundary surface are derived. These equations also allow us to obtain curves belonging to the stability boundary. Applications to linear gyroscopic systems are considered and studied with examples. The project supported by the National Science Foundations of Russia and China (10072012)     

快速求解叶栅流动的边界元方法

本文利用边界元方法，通过ｋｒｉｃｈｈｏｆｆ变换将描述叶栅流动的控制方程转换成线性方程。并将广义ｋ－Ｊ条件与边界积分方程联立求解，避免了非线性项和叶片出气角的迭代计算。完成了一种快速求解任意迥转面叶栅流场的计算程序，实用表明与其它数值方法及实验结果符合较好，具有快带、简明、实用的特点。     

Investigation of a hypersonic crossing shock wave/turbulent boundary layer interaction

A combined theoretical and experimental study is presented for the interaction between crossing shock waves generated by (10°, 10°) sharp fins and a flat plate turbulent boundary layer at Mach 8.3. The theoretical model is the full 3-D mean compressible Reynolds-averaged Navier-Stokes RANS) equations incorporating the algebraic turbulent eddy viscosity model of Baldwin and Lomax. A grid refinement study indicated that adequate resolution of the flowfield has been achieved. Computed results agree well with experiment for surface pressure and surface flow patterns and for pitot pressure and yaw angle profiles in the flowfield. The computations, however, significantly overpredict surface heat transfer. Analysis of the computed flowfield results indicates the formation of complex streamline and wave structures within the interaction region.This article was processed using Springer-Verlag T_EX Shock Waves macro package 1.0 and the AMS fonts, developed by the American Mathematical Society.     

瞬态空化泡演变过程的数值模拟

采用边界积分方程方法，对无粘流体中三个空化泡以及自由面附近二个空化泡相互作用的演变过程进行了数值模拟。计算中边界用二阶有限元离散，影响系数矩阵非对角线元素用六点高斯数值积分方法计算，对第一类、第二类完全椭圆积分用高次多项式近似，对计算系数矩阵对角线元素中遇到的奇异积分进行了特殊处理。结果表明，在不同的给定参数下，空化泡的溃灭形态各异，柱状射流和环形射流都有可能发生，使空化泡演变成双泡或环形泡。     

Identification strategies for flame retardants employing time‐of‐flight mass spectrometric detectors along with spectral and spectra‐less databases

In the past, the preferred strategy for the identification of unknown compounds was to search in an appropriate mass spectral database for spectra obtained using either electron ionisation (GC‐MS analyses) or collision‐induced dissociation (LC‐MS/MS analyses). Recently, an increase has been seen in the use of accurate mass instruments and spectra‐less databases, based on monoisotopic accurate mass alone. In this article, we describe a systematic workflow for the screening and identification of new flame retardants. This approach utilises LC‐quadrupole‐time‐of‐flight MS and spectra‐less databases based only on monoisotopic accurate mass for the identification of ‘unknowns’. An in‐house database was built, and the input parameters used in the data analysis process were optimised for flame retardant chemicals, so that it can be easily transferred to other laboratories. The procedure was successfully applied to dust, foam and textiles from car interiors and indoor consumer products. The developed method was demonstrated for the main new flame retardant present in Antiblaze V6 and for the three unreported reaction by‐products/impurities present in the same technical mixture. Copyright © 2015 John Wiley & Sons, Ltd.     

Effect of a plant fortifier (Boundary) on pests and predators of greenhouse vegetable crops

Boundary, a plant fortifier composed of extracts of Sophora flavescens Aiton and brown algae, was tested for control of the leaf miner Tuta absoluta (Meyrick) on tomato (three trials) and of the red spider mite Tetranychus urticae Koch on eggplant (one trial) and for side effects on the whitefly predator Macrolophus pygmaeus (Kambur) (two trials) on tomato and on the thrips predators Orius laevigatus (Fieber) and Amblyseius swirskii Athias-Henriot (two trials) on pepper, all in cold greenhouses in South Italy. Control rates for T. absoluta were moderate (40–70%) in the autumn crop but very high and comparable to those for emamectin benzoate in the spring crops (96–100%). Boundary compared well with abamectin against T. urticae, with near complete control. M. pygmaeus was moderately injured in late autumn, but not in early autumn. At the tested application rate and predator population density Boundary was safe for O. laevigatus and A. swirskii.     

Diversity‐Oriented Approach for Chemical Biology

Synthetic molecules that modulate and probe biological events are critical tools in chemical biology. Utilizing combinatorial and diversity‐oriented synthetic strategies, access to large numbers of small molecules is becoming more and more feasible, and research groups in this field can take advantage of the power of chemical diversity. Since the majority of early studies were focused on the discovery of compounds that perturb protein functions, diversity‐based approaches are often considered as therapeutic lead discovery tactics. However, the diversity‐oriented approach can also be applied to advance distinct aims, such as target protein identification, or the development of imaging probes and sensors. This review provides a personal perspective of the chemical‐diversity‐based approach and how this principle can be adapted to various chemical biology studies.     

The tribological performance of fullerene‐like hydrogenated carbon films under ionic liquid lubrication

Fullerene‐like hydrogenated carbon films were deposited on Si substrate by plasma‐enhanced chemical vapor deposition. The microstructures of films were characterized by high‐resolution transmission electron microscopy and Raman spectrum. The tribological performance of films was tested by reciprocating ball‐on‐disc tester under 1‐ethyl‐3‐methylimidazolium tetrafluoroborate ionic liquid. The surface morphology and chemical composition of wear tracks and wear rates were investigated by optical microscope, X‐ray photoelectron spectroscopy, and 3D surface profiler. The results indicated that the film with a typical fullerene‐like structure embedded into the amorphous sp² and sp³ carbon networks could be prepared successfully, and the film shows a higher hardness (26.7 GPa) and elastic recovery (89.9%) compared with the amorphous carbon film. Furthermore, the film shows a lower friction coefficient at low contact load and friction frequency, and excellent wear‐resistance performance at high load and frequency under ionic liquid lubrication. Meanwhile, the wear life of fullerene‐like hydrogenated carbon films could be improved significantly using ionic liquid as a lubrication material. Copyright © 2015 John Wiley & Sons, Ltd.     

MOLSIM: A modular molecular simulation software

The modular software MOLSIM for all‐atom molecular and coarse‐grained simulations is presented with focus on the underlying concepts used. The software possesses four unique features: (1) it is an integrated software for molecular dynamic, Monte Carlo, and Brownian dynamics simulations; (2) simulated objects are constructed in a hierarchical fashion representing atoms, rigid molecules and colloids, flexible chains, hierarchical polymers, and cross‐linked networks; (3) long‐range interactions involving charges, dipoles and/or anisotropic dipole polarizabilities are handled either with the standard Ewald sum, the smooth particle mesh Ewald sum, or the reaction‐field technique; (4) statistical uncertainties are provided for all calculated observables. In addition, MOLSIM supports various statistical ensembles, and several types of simulation cells and boundary conditions are available. Intermolecular interactions comprise tabulated pairwise potentials for speed and uniformity and many‐body interactions involve anisotropic polarizabilities. Intramolecular interactions include bond, angle, and crosslink potentials. A very large set of analyses of static and dynamic properties is provided. The capability of MOLSIM can be extended by user‐providing routines controlling, for example, start conditions, intermolecular potentials, and analyses. An extensive set of case studies in the field of soft matter is presented covering colloids, polymers, and crosslinked networks. © 2015 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.