Identifying aspirin polymorphs from combined DFT-based crystal structure prediction and solid-state NMR

A combined experimental and computational approach was used to distinguish between different polymorphs of the pharmaceutical drug aspirin. This method involves the use of ab initio random structure searching (AIRSS), a density functional theory (DFT)-based crystal structure prediction method for the high-accuracy prediction of polymorphic structures, with DFT calculations of nuclear magnetic resonance (NMR) parameters and solid-state NMR experiments at natural abundance. AIRSS was used to predict the crystal structures of form-I and form-II of aspirin. The root-mean-square deviation between experimental and calculated ¹H chemical shifts was used to identify form-I as the polymorph present in the experimental sample, the selection being successful despite the large similarities between the molecular environments in the crystals of the two polymorphs.     

Semilinear wave models with friction and viscoelastic damping

In this paper, we study the global (in time) existence of small data solutions to the Cauchy problem for the semilinear wave equation with friction, viscoelastic damping, and a power nonlinearity. We are interested in the connection between regularity assumptions for the data and the admissible range of exponents p in the power nonlinearity.     

无纵向电场分量离子波纹激光的小信号增益

在离子波纹摆动器中，改变电子束的入射方向，保证了离子波纹场的纵向分量为零，从而消除了纵向电场对离子波纹激光的不利影响。给出了束电子的运动轨迹，运用Madey定理计算了小振幅条件下该离子波纹激光的小信号增益。     

Inequalities for the Moments and Distribution of the Ladder Height of a Random Walk

We obtain upper bounds for the tail distribution of the first nonnegative sum of a random walk and for the moments of the overshoot over an arbitrary nonnegative level if the expectation of jumps is positive and close to zero. In addition, we find an estimate for the expectation of the first ladder epoch.     

Asymptotic expansions for eigenvalues in the presence of small inhomogeneities

We provide a rigorous derivation of an asymptotic formula for perturbations in the eigenvalues caused by the presence of a finite number of inhomogeneities of small diameter with conductivity different from the background conductivity. Copyright © 2003 John Wiley & Sons, Ltd.     

高功率激光驱动器中小尺度自聚焦和噪声模型

 建立了一套线性的近似分析方法，研究高功率激光驱动器中强激光传输的小尺度自聚焦效应和相位噪声对光束传输和光束质量的影响，给出了系统噪声强度、B积分值与光束近场调制对比度之间的定量关系。研究表明,为保证输出光束质量，即近场调制对比度小于给定值，系统内的噪声强度必须符合一定的谱分布。     

有机发光器件平板显示及彩色象元实现方案

有机发光器件（OLED）具有固体平板化的优点，用OLED制做平板显示器不仅重量轻和功耗低，而且能实现低成本的彩色大屏幕显示。本文从有机发光器件的原理出发，阐述了有机发光器件平板显示器的三色象元的一些实现方案和目前的发展状况，并对它们的基本结构及技术特点进行了比较。     

On parabolic equations with a small parameter

A singularly perturbed parabolic equation with a nonlinear right-hand side of a special form is examined. A numerical analytical study of such equations is performed.     

专用超大规模集成电路在LED显示系统中的应用

自1976年蒙特利尔奥运会采用了第一块黑白视频显示屏以来，各种大屏幕特别是LED显示屏得到了迅猛发展，在现代信息社会中更是随处可见。在这些显示系统中，应用了大量的不同种类的集成电路作为驱动芯片。本文叙述了运用于LED显示系统中的超大规模集成电路的强大功能。