聚合物广角X射线衍射图谱分峰的改进  

The Improvement of Peak Resolution of Polymer Wide-Angle X-ray Diffraction Curve

作　　者：胡锡龙[1] 吴承训[1] 

机构地区：[1]东华大学材料科学与工程学院纤维材料改性国家重点实验室,上海201620

出　　处：《实验室研究与探索》2008年第2期39-41,88,共4页Research and Exploration In Laboratory

摘　　要：首先采用高精度的Lagrange多项式插值对聚合物无定形样品广角X衍射(WAXD)谱图的峰形进行拟合,得到的该聚合物无定形峰的函数,然后将该函数与Gauss-Cauchy函数结合,对该聚合物的WXAD图谱进行非线性最小二乘法分峰拟合,得到了较理想的结果,并讨论了分峰过程中初值的稳定性。High-accuracy Lagrange polynomial was employed to fit the wide-angle X-ray diffraction （WAXD） curve of amorphous polymer sample, from which the function of amorphous peak of the polymer was obtained. Then the function was combined with Gauss-Cauchy function for peak resolution of the WAXD profile of the polymer by nonlinear least square method. The stability of the initial value of the peak resolution program was also studied.

关 键 词：计算机分峰法 广角X射线衍射谱图 多项式拟合 

分 类 号：TP31[自动化与计算机技术—计算机软件与理论]