量子化学方法研究氯代苯酚类化合物对水生物毒性的构效关系

对20个氯代苯酚类化合物进行了CNDO/2量子化学计算,讨论了化合物电子结构与其对水生物翻车鱼(Bluegill)、花鳉鱼(Guppy)、和虾(Shrimp)半致死量之间的关系,分别获得了表示其构效关系的三个线性方程,它们的显著性均远高于α=0.01水平。结果表明:氯代苯酚化合物苯环上碳原子的兀电荷之和(∑Qπ_R)越大苯环上碳原子的净电荷之和(∑Q_R)越大,或LUMO轨道能(E_(LUMO))越低,均使化合物对Bluegill和Guppy水生物的毒性增大;而化合物苯环上羟基邻位的碳原子的兀电荷布居(P_3)越大,同时HOMO轨道能E_(HOMO)越高,则化合物对Shrimp毒性也越大。据此,可预测氯代苯酚类化合物对上述三种水生物的毒性。     

重力插值方法研究

为了根据离散观测数据构制连续空间重力变化图像，分析和讨论了３种数值插值方法，计算结果表明多面函数方法插值精度最高。由于逐步回归分析筛选核函数中心点的计算繁琐，文中提出根据分形理论和Ｓｈａｎｎｏｎ取样定理来确定核函数中心点。对滇西试验场进行模拟试算，插值精度可达到４～５（１０－８ｍｓ－２）。     

关于非球形粒子光散射的T-矩阵数值计算方法的研究

首先介绍了无规取向轴对称非球形粒子光散射的T－矩阵数值方法。然后，进一步研究了T－矩阵计算的收敛问题，提出了一种新的关于无规取向无吸收非线形散射物体的物理收敛方法，我们研究了椭球粒子的收敛问题，结果表明我们的数值方法和T－矩阵计算程序是有效的， 收敛精度与粒子的尺度和形状有很强的依赖性，在一定的条件下，我们的物理收敛速度优于NASA Mishchenko的数学收敛速序。     

Numerical calculations in the orbital determination of an artificial satellite for a long arc

Numerical methods are usually used for the computation of ephemerides with perturbations for the precise orbital determination of an artificial satellite. But their numerical stability will be encountered in a long arc. In this case the use the improved Encke special perturbation methods has been suggested. The results of this paper show that Encke's method does indeed have a certain effectiveness, but cannot yet completely resolve the numerical stability, and the more efficient method is to use the energy integral or its variational relation to control the growth of the along-track error in general numerical calculations so that the aim of stabilization can be achieved.     

Forced oscillations in a hydrodynamical accretion disk and QPOs

This is the second of a series of papers aimed to look for an explanation on the generation of high frequency quasi-periodic oscillations (QPOs) in accretion disks around neutron star, black hole, and white dwarf binaries. The model is inspired by the general idea of a resonance mechanism in the accretion disk oscillations as was already pointed out by Abramowicz and Klu’zniak (2001). In a first paper (P'etri, 2005a, paper I), we showed that a rotating misaligned magnetic field of a neutron star gives rise to some resonances close to the inner edge of the accretion disk. In this second paper, we suggest that this process does also exist for an asymmetry in the gravitational potential of the compact object. We prove that the same physics applies, at least in the linear stage of the response to the disturbance in the system. This kind of asymmetry is well suited for neutron stars or white dwarfs possessing an inhomogeneous interior allowing for a deviation from a perfectly spherically symmetric gravitational field. After a discussion on the magnitude of this deformation applied to neutron stars, we show by a linear analysis that the disk initially in a cylindrically symmetric stationary state is subject to {three kinds of resonances: a corotation resonance, a Lindblad resonance due to a driven force and a parametric resonance}. In a second part, we focus on the linear response of a thin accretion disk in the 2D limit. {Waves are launched at the aforementioned resonance positions and propagate in some permitted regions inside the disk, according to the dispersion relation obtained by a WKB analysis}. In a last part, these results are confirmed and extended via non linear hydrodynamical numerical simulations performed with a pseudo-spectral code solving Euler's equations in a 2D cylindrical coordinate frame. {We found that for a weak potential perturbation, the Lindblad resonance is the only effective mechanism producing a significant density fluctuation}. In a last step, we replaced the Newtonian potential by the so called logarithmically modified pseudo-Newtonian potential in order to take into account some general-relativistic effects like the innermost stable circular orbit (ISCO). The latter potential is better suited to describe the close vicinity of a neutron star or a black hole. However, from a qualitative point of view, the resonance conditions remain the same. The highest kHz QPOs are then interpreted as the orbital frequency of the disk at locations where the response to the resonances are maximal. It is also found that strong gravity is not required to excite the resonances.     

太阳活动区磁场观测的一种新方法

在太阳活动区的物理研究中,特别是在二维动力学光谱分析中,迫切需要相应活动区的磁图资料。本文介绍了在太阳光谱仪的入射狭缝后安装一种新型偏振器进行活动区二维磁场观测的新方法。这种方法不仅能获得日面上任一点的磁场强度,且可快速获得活动区的纵向场磁图。除此之外,还可利用多条谱线的同时观测,获得有关磁力线管结构等方面的资料。     

A stepwise method for determining the number of component distributions in a mixture

This paper considers the problem of estimatingm, the number of components in a finite mixture of distributions from a parametric family. A step-up procedure using the bootstrap method is proposed. Some properties of the procedure are illustrated with simulation studies. An example of the method, applied to orientation of beach clasts, is given.