A New Method for the Raman Spectra Calculation of Vitreous or Molten Silicate

A new method is deduced to calculated the Raman spectra of vitreous or molten silicate.This method includes five steps:(i) molecular dynamics simulation to generate thousands of vitreous or molten configurations in equilibrium;(ii)decomposing the configurations into five kinds of defined tetrahedral units;(iii) normal vibrational analysis with Wilson‘s GF matrix method for the eigenfrequencies and eigenvectors of each tetrahedral unit;(iV) Raman intensity calculations for each vibrational mode by utilizing the electro-optical parameter method and bond polarizability model;(v)accumulating the data of frequencies and corresponding intensities to form the prtial Raman spectral line of each defined tetrahedral unit and finally the envelope.     

Theoretical Study of the Opacity for Mixture Materials at High Temperatures

Using a detailed configuration accounting model with term structures treated by the umresolved transition array model,we have extensively investigated the opacitiesof mixture materials.For plasmas at the temperature of 250 eV and density of 1 g/cm^3,our calculated Rosseland mean opacities are in good agreement with other theoretical results.A high increase in the Rosseland mean opacity to 2944cm^2/g is achieved for a multi-element mixture compared to the value of 1729cm^2/g for pure gold.Various mixtures at other plasma conditions are also studied.     

Monitoring the Aggregation of Dansyl Chloride in Acetone through Fluorescence Measurements

The aggregation of dansyl chloride (DNS-Cl) in acetone has been studied in detail by steady-state fluorescence techniques.It has been demonstrated that DNS-Cl is stable in acetone during purification and aggregation study processes.The aggregates are not solvolyzed in acetone,and do not take part n any chemical reactions either.It has been found that DNS-Cl tends to aggregate even when its concentration is much lower than its solubility in acetone.The aggregation is reversible,and both the aggregation and the deaggregation are very slow processes.Introduction of SDS has a positive effect upon the formation and stabilization of the aggregates.     

同步辐射X射线和中子粉末衍射及Rietveld精化（1）

把Rietveld精化方法用于处理同步辐射X射线和中子粉末衍射数据，使得粉末试样的结构研究有很大发展。本文在简要介绍两种粉末衍射术和Rietveld方法之后，用实例描述它们在结构精化、解未知结构、沸石、有关微孔材料及磁结构材料测定中的应用。     

提高大气吸收光谱测量分辩率的新方法

在仪器函数和吸收线型已知的情况下，提出了一种非线性拟合退卷积法，用于提高气体吸收测量的光谱分辨率。数值模拟和实际应用都表明：该方法用于室内气体吸收光谱的测量，在保持吸收线型不变的情况下，可以显著地提高测量的光谱分辩率，降低测量噪声。将该方法用于怀特池中模拟大气吸收光谱测量，减小了激光线宽对测量结果的影响，获得了比较理相的结果。     

基于TMS320C5410EVM板的IIR数字滤波器的设计

本文研究DSP中的IIR数字滤波器的原理和用MATLAB在TMS320C5410EVM中设计IIR数字滤波器的过程和设计方法以及程序的调试方法。