金纳米颗粒与表面活性剂相互作用的XAFS研究

利用同步辐射X射线吸收精细结构谱学(XAFS)等技术研究了不同种类表面活性剂对反应生成的金纳米颗粒的原子和电子结构的影响.XAFS和电镜结果表明三苯基膦、十二胺和十二硫醇3种表面活性剂与金纳米颗粒的相互作用依次增强,三苯基膦分子中的P原子与金纳米颗粒表面的Au原子产生弱的物理吸附,生成的金纳米颗粒的尺寸为7.2 nm;而十二胺和十二硫醇则分别以头基N原子和头基S原子与金纳米颗粒表面的Au原子形成强的Au—N和Au—S共价键,有效地阻止金纳米颗粒的长大和聚集,其颗粒尺寸为3.1 nm.同时,金纳米颗粒中第一近邻Au—Au键长由三苯基膦的2.82减小到十二硫醇的2.79,相应的配位数则由11.3减少为10.1,这是由于十二硫醇与纳米颗粒具有强的相互作用导致.XAFS的近边谱表明在十二硫醇覆盖的情况下可以观察到明显的表面Au原子的电子转移现象.     

X射线荧光测量在蒙马拉航磁异常查证中的应用

航磁异常查证的方法较多,为了野外快速获取异常信息,在方法的选择上就有所考究.X射线荧光测量具有 原位取样、简单便携、低成本等特点,已经广泛应用于地质勘探领域.将X射线荧光测量应用于航磁异常查证,查 明航磁异常主要与As、Cu、Fe、Ni、Pb、Zn等多元素异常有关,为下一步找矿工作指明了方向,也为航磁异常查 证提供了一种快速简便的方法,提高了航磁异常查证效率,具有良好的经济效益.     

高能炸药的X射线及γ射线探测安全性研究

为解决X射线、γ射线探测技术在高能炸药属性、状态特征测量中的应用安全性疑虑,提高检测速度,采用了常用工程应用数学指标,分别从单个高能炸药分子与光子的作用几率和高能炸药对光子能量的吸收角度,得到了采用X射线、γ射线探测高能炸药属性、状态特征时的辐照强度阈值. 研究结果表明,目前工业常用的辐射探测方法可以安全地应用于高能炸药,且在确保量级不大于104 W/m2时,可安全地进一步提高高能炸药的辐照强度.      

Comparison of the accuracy of powder and single-crystal X-ray diffraction techniques in determining organic crystal structure

This study demonstrates the accuracy of pow- der X-ray diffraction （PXRD） in determining the crystal structures of four organic molecules by comparing the structural information obtained from both single-crystal X-ray diffraction （SXRD） and PXRD techniques. Results showed that the PXRD technique had approximately the same precision as the SXRD technique. The majority of the relative deviations from PXRD-derived lattice parameters were within 4-0.2 % of the correct values （average of the SXRD data）, whereas the relative deviations in bond lengths and angles are within 4-1,0 %, All of the relative deviations were subjected to normal statistical distributions （# = 0） and coincided with the SXRD data. As an auxiliary implement of SXRD, PXRD is clearly an effective and powerful technique in establishing an accurate character- ization of organic molecules.     

Compression behavior of Sm）2Ti2O7-pyrochlore up to 50 GPa：single-crystal X-ray diffraction and density functional theory calculations

Single-crystal X-ray diffraction at pressures up to 50 GPa has been employed to study the compression behavior of Sm2Ti2O7-pyrochlore. In contrast to earlier reports, we observed no pressure-induced amorphization or pressure-induced anion disorder up to 50 GPa. The experimental study has been complemented by density functional theory-based calculations. A combination of the theoretical and experimental data yields a bulk modulus of 185 GPa, significantly higher than a value which had been reported earlier. In comparison to earlier work, the current study provides more reliable data due to the use of neon as a pressure medium, which provides a more hydrostatic pressure than the aluminum, which had been employed as a pressure medium in the earlier studies. An analysis of the compressibility of Al2B2O7 pyrochlores shows an approximately linear dependence of the bulk modulus on the unit cell volume.     

Formation of highly crystalline maghemite nanoparticles from ferrihydrite in the liquid phase

Fe5O7（OH）·4H2O ferrihydrite is a low-crystal- linity antiferromagnetic material, γ-Fe2O3 （maghemite） magnetic nanoparticles were prepared from a ferrihydrite precursor, by chemically induced transformation in FeCl2/ NaOH solution. The magnetization, morphology, crystal structure and chemical composition of the products were determined by vibrating sample magnetometry, transmission electron microscopy, X-ray diffraction （XRD）, energy-dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy （XPS）. Ferrihydrite underwent aggregation growth and transformed into α-FeO（OH） （goethite） particles, which subsequently transformed into γ-Fe2O3 nanoparticles, that became coated with NaCI. The γ-Fe2O3 particles had a flake-like morphology, when prepared from 0.01 mol/L FeCl2 and a FeCl2：NaOH molar ratio of 0.4. The γ-Fe2O3 particles were more spherical, when prepared from a FeCl2：NaOH molar ratio of 0.6. The Fe content of the flake-like particles was lower than that of the spherical particles. Their magnetizations were similar, and the coercivity of the flake-like particles was larger. The differences in morphology and magnetization were attributed to the surface effect, and the difference in coercivity to the shape effect.     

Properties and Morphology of TiN Films Deposited by Atomic Layer Deposition

In this study,TiN films were deposited on SiO2 substrates by Atomic Layer Deposition(ALD) using TiCl4and NH3 as precursors. Properties and morphology of the TiN films were characterized by different methods.Using Grazing Incidence X-Ray Diffraction(GIXRD),TiN films demonstrated polycrystalline structure with(111)preferred orientation. Film thickness was measured by Spectroscopic Ellipsometry(SE) and a stable growth rate of 0.0178 nm/cycle was reached after 500 deposition cycles,which was consistent with the essence of ALD as a surface-saturated self-limiting reaction. Film resistivity measured by a four-point probe continuously decreased with increasing deposition cycles until it reached the minimum value of 300μΩ cm at 5000 deposition cycles with a thickness of 87.04 nm. The surface roughness and morphology of the TiN films at different deposition cycles ranging from 50 to 400 were analyzed by Atomic Force Microscopy(AFM). The AFM results indicated that the initial film growth follows the Stranski-Krastanov mode.     

动态网络最短路径射线追踪算法中向后追踪方法的改进

动态网络最短路径射线追踪算法中的向后追踪方法能够解决线性走时插值算法(LTI)向后追踪过程不稳定的问题,但是其计算效率较低.综合利用节点次级源的位置信息以及波的传播规律,提出了改进方法,排除了动态网络最短路径射线追踪算法向后追踪过程中存在的大量冗余计算.数值算例表明,改进的向后追踪方法具有较高的计算效率,是动态网络最短路径射线追踪算法中向后追踪方法的几倍至几十倍;若将改进后的向后追踪方法应用于动态网络最短路径射线追踪改进算法,则该算法的计算效率将提高一倍左右.     

薄吸积盘及其发射线的研究

在轴对称、几何薄、光学厚吸积盘模型的基础上,应用新的粘滞定律（磁粘滞为主）以避免标准吸积盘内区的热不稳定及粘滞不稳定定。考虑了自引力的作用,计算出了稳定的磁粘滞自引力薄吸积盘外区的结构,综合盘外区的结构,讨论了吸积盘外区的辐射性质以及发射线的有关问题．     

60Co-γ射线在花岗岩中线性吸收系数的测定

本文测量了60Co γ射线在花岗岩中的线性吸收系数μ岩=0.148cm-1,它将为辐照室屏蔽材料的选择和屏蔽厚度的计算提供可靠的依据。