双原子分子激发态势能的自旋相关局域Hartree-Fock密度泛函理论方法

基于自旋相关局域Hartree-Fock (SLHF)势函数,本文提出了一种计算双原子分子激发态势能的密度泛函理论(DFT)方法,并将该方法应用于和的激发态势能曲线的计算。在只考虑交换能的情况下,本文的DFT计算结果与文献中精确方法和Hartree-Fock (HF)方法的结果符合的非常好,说明采用SLHF势函数作为交换势的DFT方法是一个很好的计算激发态势能的方法。本文还计算和探讨了电子的关联势函数和关联能,发现传统的近似方法在较大核间距的情况下大大低估了电子的关联能.     

Defect assessment procedure based on ductile tearing process

Strain hardening, crack growth resistance and nonuniform load distribution have significant effects on the ductile tearing process. A defect assessment procedure incorporating with the above features is proposed in the present paper, with the final appearance of “design curves” to facilitate engineering applications.     

Propagation of longitudinal ultrasonic waves in RbH2PO4 near its ferroelectric phase transition temperature

Ferroelectric phase transition in RbH₂PO₄ has been investigated using propagation of longitudinal acoustic waves along the polar axis near the transition temperature. The velocity of this mode is continuous across the transition temperature. Velocity data in the ferroelectric phase are analyzed in terms of coupled soft modeacoustic mode model of Pytte to obtain the temperature dependence of the soft mode frequency. The attenuation data in the ferroelectric phase show power law dependence. It follows scaling behaviour of the type predicted by Kawasaki from the mode-mode coupling theory and the dynamical scaling.     

基于广义逆矩阵的Bézier曲线近似合并

Bézier曲线近似合并算法在几何数据压缩方面有着重要的应用.研究了两条相邻Bézier曲线近似合并的问题,用矩阵的形式给出了相邻Bézier曲线可精确合并的条件,并在此基础上通过广义逆矩阵的方法求解合并逼近后的Bézier曲线.同时,对保端点插值条件的近似合并也给出了结果.最后用实例说明了算法的有效性,得到了很好的逼近效果.     

4种等温物态方程适用性的比较研究

 通过分析现有文献,认为4种两参数的物态方程在高压物理研究中较为流行,它们是Vinet、Baonza、Morse和Born-Meyer（BM）方程。将这4种方程用于拟合50种材料的实验压缩数据,得出了零压下压缩模量及其一阶压力导数的优化取值,并计算了4种方程的平均压力误差。结果表明,Morse方程的精度最高,对50种材料的平均拟合误差为0.557 6%;BM方程次之,平均误差为0.615 1%;Vinet和Baonza方程的误差大一些,分别为0.788 9%和0.833 3%。对8种典型材料计算了压力误差随压强变化的曲线,所得结果与平均误差的趋势一致,也是Morse方程的精度最高。在宽广压力范围的高压物态方程研究中,推荐使用Morse方程。     

Photon interaction studies using 241Am γ-rays

We have carried out some photon interaction measurements using 59.54 keV γ-rays from a ²⁴¹Am source. These include γ attenuation studies as well as photoelectric absorption studies in various samples. The attenuation studies have been made using leaf and wood samples, samples like sand, sugar etc., which contain particles of varying sizes as well as pellets and aqueous solutions of rare earth compounds. In the case of the leaf and wood samples, we have used the γ-ray attenuation technique for the determination of the water content in fresh and dried samples. The variation of the attenuation coefficient with particle size has been investigated for sand and sugar samples. The attenuation studies as well as the photoelectric studies in the case of rare earth elements have been carried out on samples containing such elements whose K-absorption edge energies lie below and close to the γ-energy used. Suitable compounds of the rare earth elements have been chosen as mixture absorbers in these investigations. A narrow beam good geometry set-up was used for the attenuation measurements. A well-shielded scattering geometry was used for the photoelectric measurements. The mixture rule was invoked to extract the values of the mass attenuation coefficients for the elements from those of the corresponding compounds. The results are consistent with theoretical values derived from the XCOM package.     

电子辐照条件下初始电位对介质材料表面电位衰减特性的影响

为了研究航天器介质材料表面不同电位初始值对表面电位衰减特性的影响。利用航天器带电地面模拟实验设备对聚酰亚胺和聚四氟乙烯介质材料充电到不同电位值,然后关闭电子枪,用电位计测量介质材料表面电位的衰减曲线,并从理论上对cross-over现象进行分析。介质材料初始电位值越大,则表面电位衰减速度越快,且在一定的时间段内电位衰减效率随初始电位值的增大而变大;在相同的真空度条件下,对于初始电位值之和相等的两组衰减曲线,初始电位值之间差值较小的一组衰减曲线更容易出现cross-over现象;出现cross-over现象的时间和电子的迁移率相关,对于相同的两个初始电位,迁移率越大的材料则出现cross-over现象的时间越短,电位衰减会更快。航天器介质材料表面充电电位越大则衰减速度越快,在一定时间的衰减效率越高。     

刃边法检测空间相机MTF的方法研究

空间相机的MTF是描述成像系统的空间频率响应特性的重要指标之一。在介绍刃边法计算空间相机MTF原理的基础上,描述了刃边法的计算过程,结合天绘一号卫星在轨传感器MTF检测,对高分辨率相机的MTF进行了计算。结果表明,刃边法检测卫星相机MTF的方法可行,能够获得较好的评价结果。     

Thermodynamic properties of 3C-SiC

In the present paper, we report on the results of various thermodynamic properties of 3C-SiC at high pressure and temperature using first principles calculations. We use the plane-wave pseudopotential density functional theory as im- plemented in Quantum ESPRESSO code for calculating various cohesive properties in ambient condition. Further, ionic motion at a finite temperature is taken into account using the quasiharmonic Debye model. The calculated thermody- namic properties, phonon dispersion curves, and phonon densities of states at different temperatures and structural phase transitions at high pressures are found to be in good agreement with experimental and other theoretical results.     

基于1–10GHz空地链路信号的雨强监测方法可行性研究

空地链路上的微波信号受降雨影响, 会产生功率衰减和去极化效应. 基于这些物理特性, 本文提出利用1–10 GHz空地链路信号的降雨干扰项获取雨强的方法, 并开展了相关理论研究. 根据空地链路信号与雨滴复杂的相互作用, 研究了空地链路信号频率为1–10 GHz时, 雨强 (rain rate, R) 对衰减 (attenuation, A) 和交叉极化分辨率 (cross-polarization discrimination, XPD)的影响, 分别建立了A-R和XPD-R关系模型. 通过数值模拟, 分别分析了利用上述两个关系模型估测雨强的可行性, 并系统研究了不同频率、极化方式和仰角条件下的适用性. 研究结果表明, 对于水平极化或圆极化, 且频率较高的空地链路信号, 利用A-R关系反演强降雨具有理论上的可行性; 对于不同频率和极化方式的信号, XPD-R关系模型都可以用于反演雨强, 并且对于1–50 mm·h^-1范围内的雨强, XPD较为敏感; 不同仰角条件下, A-R和XPD-R 模型都适用. 在4–10 GHz时, 本文的XPD-R模型和国际电信联盟ITU-R中XPD预测模型的结果非常接近. 所得出的结论对于下一步开展相关的验证实验, 拓展卫星系统的气象应用, 实时估测降雨强度, 实现全球降雨观测具有重要的参考价值. 关键词： 空地链路信号 雨强 衰减特性 交叉极化分辨率(XPD)