晶体的X射线衍射谱仿真与实验研究

Simulation and Experimental Research on X-ray Diffracted Spectrum for Crystal

为了获取晶体初始X射线衍射谱,开展了晶体物质X射线衍射谱的仿真与实验研究。基于X射线衍射原理构建了晶体的X射线衍射谱仿真理论模型,仿真了Cu、Si和NaCl晶体的衍射强度分布,计算得到了晶体在5°和10°衍射角度时的衍射能谱。搭建了X射线衍射实验平台,实测了NaCl单晶的衍射能谱,校验了仿真模型,实测谱对应的能量和强度与仿真结果一致。解决了晶体的初始衍射谱受到仪器测量误差影响的问题,为晶体初始衍射谱的获取提供了一种有效的方法。

Aiming at the problem of obtaining the initial X-ray diffracted spectrum of crystal,simulation andexperimental research of the X-ray diffracted spectrum of crystal material wascarried out.Based on the principle of X-ray diffraction,atheoretical model of X-ray diffracted spectrum of actual crystal was constructed.The spectrum intensity distributions of Cu、Si and NaCl crystals weresimulated by the model,and the energy spectra of the crystals at the diffraction angles of 5°and 10°were calculated.Anexperiment platform for X-ray diffraction was built.The energy spectrum of single crystal NaCl was measured,and the simulation model was verified.The energy and intensity of the measured spectrum were consistent with the simulation results.The study solvedthe problem that the initial diffracted spectrum of the crystal was affected by the error of instrument,which provides an effective method for obtaining the initial diffracted spectrum for crystal.It is of great significance for the research of X-ray diffraction in scientific research and teaching.