Morawiec A
Laboratoire d'Etude des Textures et Application aux Matériaux, Université Paul Verlaine-Metz, Ile du Saulcy, F-57045 Metz, France.
Ultramicroscopy. 2007 Apr-May;107(4-5):390-5. doi: 10.1016/j.ultramic.2006.10.003. Epub 2006 Nov 7.
A new algorithm for calculation of lattice parameters from convergent beam electron diffraction (CBED) patterns has been developed. Like most of the previous approaches to the problem, it is an optimization procedure matching geometric elements of high order Laue zone (HOLZ) lines in experimental patterns to corresponding elements of kinematically simulated patterns. The procedure uses an original objective function based directly on the underlying algebraic equation of the HOLZ lines. Although the new approach requires crystal orientation parameters to be fitted alongside the strain components, it is easier to implement than methods used previously. It is also straightforward to apply to strain determination from multiple patterns. Numerical tests on dynamically simulated patterns show that in the case of one or two patterns, the new procedure gives results that are more reliable than the established method based on HOLZ line intersections. As an example application, the a and c parameters of a TiAl alloy are determined.
已开发出一种用于从会聚束电子衍射（CBED）图案计算晶格参数的新算法。与之前解决该问题的大多数方法一样，它是一种优化程序，将实验图案中高阶劳厄区（HOLZ）线的几何元素与运动学模拟图案的相应元素进行匹配。该程序使用直接基于HOLZ线的基础代数方程的原始目标函数。尽管新方法需要同时拟合晶体取向参数和应变分量，但它比以前使用的方法更容易实现。将其应用于从多个图案确定应变也很简单。对动态模拟图案的数值测试表明，在一两个图案的情况下，新程序给出的结果比基于HOLZ线交点的既定方法更可靠。作为一个示例应用，确定了TiAl合金的a和c参数。
