Comparison study of exchange-correlation functionals on prediction of ground states and structural properties

Despite significant advances in first-principles calculation methods, there is no single exchange-correlation functional which predicts the ground state of materials without an error yet. We investigated how accurately ground states of binary semiconductors are described using 16 exchange-correlation functionals (with or without van der Waals corrections). LDA, PBEsol, SCAN (with or without rVV10 correction), and PBE with D3 van der Waals correction (zero or Becke-Johnson damping) show good predicting power. The lattice constants of stable phases were slightly better described by SCAN, PBEsol, PBE+D3 (Becke-Johnson damping), and MS2. We also propose a set of functionals to double-check the stability of new materials based on the majority vote.     

(Anti-)de Sitter Black Hole Entropy and Generalized Uncertainty Principle

We generalize the method that is used to study corrections to Cardy-Verlinde formula due to generalized uncertainty principle and discuss corrections to Cardy-Verlinde formula due to generalized uncertainty principle in (anti)-de Sitter space. Because in de Sitter black hole spacetime the radiation temperature of the black hole horizon is different from the one of the cosmological horizon, this spacetime is a thermodynamical non-equilibrium spacetime.     

多气隙电阻板室的宇宙线测量结果

介绍了20多个多气隙电阻板室的宇宙线测量结果.测量所用的宇宙线平台可以同时测量同一个电阻板室的多个cell,其参考时间的时间分辨为70ps.在宇宙线的测量条件下,用国产材料制作的多气隙电阻板室的时间分辨可达到90ps.利用这套宇宙线测量系统,还对多气隙电阻板室的探测效率和cell间的相互串扰进行了研究.     

BEPCⅡ LINAC束流光学匹配及轨道校正计算研究

 北京正负电子对撞机直线注入器(BEPCⅡ LINAC)的升级改进要求建立束流光学匹配计算和轨道校正系统，为此对束流光学匹配计算和轨道校正计算的方法进行了研究，并采用VC++语言编写了相应的程序，利用最小二乘法原理进行了束流光学匹配计算，模拟了束流轨道校正，取得了较为理想的结果。     

全景图像几何畸变校正的算法研究及其软件实现

对于360°视场的全景图像,本文提出了分别对其进行切向和径向畸变校正的处理算法,并用插值处理提高处理精度。达到了将全景图像恢复为常规视场平面像的目的。它是进一步图像分析的前期工作。     

一种改进的计算探测器校正因子的相关抽样方法

对于小尺寸探测器处于大块介质的情形, 在探测器的校正因子的Monte Carlo模拟中, 存在两个难题: 一是由于探测器尺寸很小粒子难以到达探测器并发生碰撞; 二是两个随机变量比值难以达到要求精度. 本文使用经过改进的粒子碰撞自动重要抽样方法, 再结合相关抽样方法, 解决了这两个难题, 并在MCNP-4C程序平台上加以实现. 除了粒子碰撞自动重要抽样以外, 还选用了其他3种方法: 直接模拟、区域分裂、强迫碰撞+Dxtran球分别与相关抽样方法结合, 对一个简化的探测器校正因子计算模型进行了计算. 实际计算结果表明, 相关抽样方法无论与哪种方法结合, 都起到了提高相关量计算效率的作用; 而它与粒子碰撞自动重要抽样结合, 比其他方法具有明显的优越性.     

同位网格上不可压流动的反欠松弛压力修正算法

本文提出了同位网格上的不可压流动压力修正算法,其中压力修正值由压力方程所求得。设计了分离式的动量插值方法,有效地避免了松弛因子对计算结果的影响和不合理压力场的出现。提出了构造压力方程的反欠松弛方法,该方法建立了稳定和加速计算收敛的一般途径。对经典算例的计算得到了满意的结果。     

上海市电力需求的协整与误差修正分析

本文采用协整与误差修正模型技术研究了上海市电力需求的决定因素,建立了上海电力需求函数,检验了电力需求与国内生产总值、电力价格、经济结构、电力使用效率之间的长期均衡关系及短期波动关系。     

Mathematical topographical correction of XPS images using multivariate statistical methods

For rough heterogeneous samples, the contrast observed in XPS images may result from both changes in elemental or chemical composition and sample topography. Background image acquisition and subtraction are frequently utilized to minimize topographical effects so that images represent concentration variations in the sample. This procedure may significantly increase the data acquisition time. Multivariate statistical methods can assist in resolving topographical and chemical information from multispectral XPS images. Principal component analysis (PCA) is one method for identification of the highest correlation/variation between the images. Topography, which is common to all of the images, will be resolved in the first most significant component. The score of this component contains spatial information about the topography of the surface, whereas the loading is a quantitative representation of the topography contribution to each elemental/chemical image. The simple‐to‐use self‐modelling mixture analysis (Simplisma) method is a pure variable method that searches for the source of most differences in the data and therefore has the potential to distinguish between chemical and topographical phases in images. The mathematical background correction scheme is developed and validated by comparing results to the experimental background correction for samples with differing degrees of topography. Copyright © 2004 John Wiley & Sons, Ltd.