X射线衍射多相谱中某一物相点阵参数的直接求解方法

介绍了一种新的求解点阵参数的方法--不涉及结构的谱峰拟合方法.该方法适用于单一物相或多个物相衍射谱中某一物相点阵参数的直接求解,可以避免外推函数的不同选择而造成的差异,且快速准确.根据此方法编写的应用程序已在实际工作中得到应用.程序中还包括了调整样品表面离轴偏差和零度偏差以提高拟合精确度的功能. 关键词： X射线衍射 谱峰拟合 点阵参数

Direct method of determining the lattice parameters of a phase from X-ray diffraction pattern of multi-phase

A new method of determining lattice parameters by peak fitting of X-ray diffraction pattern, without involving structure parameters, is introduced. The method can be applied to a single phase and one phase in multi-phase diffraction patterns. It can avoid getting different fitting results caused by using different extrapolation functions, and can get a more accurate result in a short time. The application program of the method has been used in the practical work. For improving the fitting accuracy, the program can also adjust off-axis deviation of the sample surface and the goniometric mechanical zero.