【摘要】 围绕快速、精确的晶体结构测定实验,开展了能量色散X射线衍射型晶体结构测定实验系统的仿真研究。基于X射线衍射原理,构建了实验系统的仿真模型,以系统角度展宽及探测器能量分辨率作为响应函数,仿真得到了晶体的衍射能谱,分析了X射线光源辐射谱、系统结构、探测器能量分辨率对衍射能谱分布的影响。根据仿真结果,优化设计了系统的光学结构,仿真能谱与实际测量结果基本一致,实验系统的能量分辨率可达32,能够用于晶体结构的精确测定。更多还原

【Abstract】 Simulation of the experimental system for rapid and accurate measurement of crystal structure based on energy dispersive X-ray diffraction was carried out. Based on X-ray diffraction theory, a simulation model of the system was constructed. The diffractive energy-spectrums of the crystals were obtained by using angle broadening of the system and energy resolution of the detector as the response function. The effects of radiation spectrum, system structure and energy resolution of the detector on the spectrum distribution were analyzed. According to the results, the structure of the system was optimized. The simulated energy spectrums were consistent with the measured results, and the energy resolution can achieve 32, which can be used for the accurate determination of the crystal structure.更多还原