First-Principles Study of Electronic Properties in PbS（1^-00） with Vacancy Defect

Electronic properties of both Pb and S vacancy defects in PbS（1^-00） have been studied using the first-principles density functional theory （DFT） calculations with the plane-wave pseudopotentials. It is found that the density of states （DOS） near the top of the valence band and the bottom of the conduction band is significantly modified by these defects. Our calculation indicates that in the case of S vacancy defects the Fermi energy shifts to the conduction band making it as an n-type PbS （donor）. However, in the case of Pb vacancy, because of the appreciable change of the DOS, the system acts as a p-type PbS （accepter）. In addition, the structural relaxation shows that the defect leads to outward relaxation of the nearest-neighbouring atoms and inward relaxation of the next-nearest neighbouring atoms.     

火焰曲率对H_2扩散火焰NO排放影响的数值研究

使用不同的H_2/O_2化学反应机理和NO_x化学反应机理模拟了平面对冲火焰。通过和实验数据比较确定了最优的化学反应机理。使用该化学反应机理模拟了管形对冲火焰。通过对比平面拉伸火焰和管形拉伸火焰,突出了火焰曲率对H_2扩散火焰温度和NO排放的影响。分析显示正曲率提高火焰温度,负曲率降低火焰温度,由于NO生成对温度的敏感性,正曲率火焰的NO排放明显高于平面火焰,反之,负曲率火焰的NO排放大大低于平面火焰。     

GISAXS and SAXS studies on the spatial structures of Co nanowire arrays

The spatial structures of magnetic Co nanowire array embedded in anodic aluminium membranes were investigated by grazing incidence small angle X-ray scattering (GISAXS) and conventional small angle X-ray scattering (SAXS) techniques. Compared with SEM observation, the GISAXS and SAXS measurements can get more overall structural information in a large-area scale. In this study, the two-dimensional GISAXS pattern was well reconstructed by using the IsGISAXS program. The results demonstrate that the hexagonal lattice formed by the Co nanowires is distorted (a ≈ 105 nm, b ≈ 95 nm). These Co nanowires are isolated into many structure domains with different orientations with a size of about 2 μm. The SAXS results have also confirmed that the nanopore structures in the AAM can be retained after depositing Co nanowires although the Co nanowires can not completely but only just fill up the nanopores. These results are helpful for understanding the global structure of the Co nanowire array.     

A study of the active thermal control for the high energy detector on the HXMT

A thermal control system (TCS) based on the resistance heating method is designed for the High Energy Detector (HED) on the Hard X-ray Modulation Telescope (HXMT). The ground-based experiments of the active thermal control for the HED with the TCS are performed in the ambient temperature range from -15 to 20 ℃ by utilizing the pulse width to monitor the interior temperature of a NaI(Tl) crystal. Experimental results show that the NaI(Tl) crystal's interior temperature is from 17.4 to 21.7 ℃ when the temperature of the PMT shell is controlled within (20±3) ℃ with the TCS in the interesting temperature range, and the energy resolution of the HED is maintained at 16.2% @ 122 keV, only a little worse than that of 16.0% obtained at 20 ℃. The average power consumption of the TCS for the HED with a low-emissivity shell is about 4.3 W, which is consistent with the simulation.     

退火对TiO2薄膜形貌、结构及光学特性影响

利用射频磁控溅射技术在熔融石英基片上制备TiO<,2>薄膜,采用X射线衍射、扫描电子显微镜(SEM)、拉曼光谱以及透过谱研究了退火温度和退火气氛对TiO<,2>薄膜的结构、形貌和光学特性的影响.实验结果表明:在大气环境下退火,退火温度越.高,薄膜晶化越好,晶粒明显长大,温度高于700℃退火的薄膜,金红石相已明显形成.实验还发现,退火气氛对金红石相的形成是非常重要的,拉曼光谱反应出Ar气氛退火,抑制了金红石晶相的发育,薄膜仍以锐钛矿相为主.Ar气氛退火的薄膜在可见光范围内的透过率比大气退火的要低,并且由透过率曲线推知:金红石的光学带隙约为2.8 eV,比锐钛矿的光学带隙小0.2 eV.     

两轴光电跟踪仪高仰角跟踪盲区分析

 从轴准直误差、动态滞后误差两方面分析了采用俯仰轴叠加于方位轴光机座结构方式的光电跟踪仪在高俯仰角跟踪时的误差变化及由此导致的盲区问题,从轴准直误差和动态滞后误差两方面对高仰角跟踪盲区的形成及其空间分布进行分析,并用MATLAB进行了仿真,给出跟踪盲区随方位、俯仰角变化的的分布图形。从盲区分布图形可以看出：光电跟踪仪在性能一定的情况下,跟踪盲区随着仰角增大而增大,并结合直线航路给出这两种误差导致的跟踪盲区的计算方法。跟踪直线航路实验数据显示跟踪误差随着仰角增大而增大。     

Isospin Effects in the Isospin Fractionation Process in Intermediate Energy HeavyIon Collisions

Based on the isospin dependent quantum molecular dynamics model we investigated the isospin effects of isospin fractionation (N/Z)_gas/(N/Z)_liq from the neutron-proton ratio of colliding system and impact parameter. Here (N/Z)_gasand (N/Z)_liq is the neutron-proton ratio of nucleon emission for gas phase and that of fragment emission for liquid phase, respectively. Our results show that the (N/Z)_gas/(N/Z)_liq increases with the neutron-proton ratio of colliding systems when the system mass, incident energy and impact parameters are fixed. For the neutron-rich systems, the (N/Z)_gas/(N/Z)_liq depends sensitively to the form of symmetry potential and weakly on the isospin effect of the in-medium nucleon-nucleon cross section; For the neutron-poor colliding system, however, the (N/Z)_gas/(N/Z)_liq is not sensitive to both the form of symmetry potential and the isospin effect of the in-medium nucleon-nucleon cross section. We also found that the dependence of (N/Z)_gas/(N/Z)_liq on the impact parameter is not obvious. Detailed discussion and explanation for leading to these results are presented in the paper. According to these results, we propose that (N/Z)_gas/(N/Z)_liq can be directly compared with the experimental data to get the information about symmetry potential.     

First-Principles Study of Electronic Structure of the Laves Phase ZrFe2

We perform the ab initio calculation for obtaining the density of states and magnetic properties of ZrFe2 Laves phase compound based on the method of augmented plane waves plus local orbital The results indicate that the ferromagnetic state is more stable than the paramagnetic one, but with a slightly larger volume. The 3d - 4d exchange interactions between Fe and Zr electrons lead to the antiparallel coupling for Fe 3d and Zr 4d states, which is responsible for the ferrimagnetic ordering of the compound. The resulting magnetic moment of about 1.98μB for Fe is spatially localized near the Fe site, while around Zr a small but extended negative spin states causes a moment of about -0.44 μB. Moreover, the resulting magnetic moments with the generalized gradient approximation are more consistent with experimental values than that of the local-spin density approximation.     

利用模拟方法研究RFQ加速器中正、负离子束同时加速的动力学问题

在以时间为自变量的PARMTEQ程序的基础上,添加了另一带相反电荷的束流进行动力学计算,同时考虑了正、负离子束加速的空间电荷效应和束团间的作用.并针对特定结构参数的RFQ加速器,给出了双束加速的动力学模拟过程和结果.模拟计算的目的在于研究正、负离子束在RFQ加速结构中同时加速所引起的动力学问题.结果表明,正、负离子束同时加速有助于克服径向空间电荷效应,但在流强较大时,双束加速时,将会在纵向出现明显的异性电荷之间的“捕捉”(trap)现象,从而导致纵向粒子损失数目的增加.因此,为实现双束加速,必须专门重新设计RFQ加速器,使其传输效率高于单束,才能体现出双束加速的优越性     

两个连通型球形液膜动态特性的研究

对小球形液膜内气体经由细管流向大球形液膜内过程中,球形液膜的动态特性做了理论模拟与实验研究．