活化LaNi5衍射峰各向异性应力展宽模型在LHPM程序中的实现

在活化LaNi5的粉末衍射轮廓中会出现较明显的各向异性展宽现象,这给衍射数据的Rietveld分析带来相当的难度.Rodriguez-Carvajal提出了一个唯像模型,只需精修少量的参数就能对于各向异性展宽的衍射峰获得较好的拟合.基于这个模型的原理,本文描述了活化laNi5衍射峰各向异性应力展宽模型在LHPM 6.5中的实现过程,并将所得结果与FullProf 2000的结果进行了比较.

Implementation of an anisotropic strain broadening model for activated LaNi5 into LHPM

Severe anisotropic peak broadening which leads considerable difficulties to Rietveld analysis has been observed in powder diffraction patterns of activated LaNi5. Optimal fits to data showing anisotropic strain broadening could be achieved using a few of parameters from the phenomenological model devised by Rodriguez-Carvajal. Based on the principles of the model mentioned above, an anisotropic strain broadening model for activated LaNi5 has been implemented into the open source codes of LHPM 6.5 in this paper. And the results given by modified LHPM 6.5 are compared with those by FullProf 2000.