PoDFluX: a new Monte Carlo ray-tracing model for powder diffraction and fluorescence.
PoDFluX: a new Monte Carlo ray-tracing model for powder diffraction and fluorescence.
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DOI：
10.1063/1.3160018
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发表时间：
2009-07
期刊：
影响因子：
--
通讯作者：
G. Hansford
中科院分区：
文献类型：
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作者：
G. Hansford
PoDFluX是一个新的蒙特卡罗射线追踪程序，从第一原理模拟晶体材料的X射线粉末衍射和具有定义元素组成的材料的X射线荧光。这个模型主要是为了优化小型行星X射线衍射仪器而编写的，但更广泛的应用肯定是可能的。该模型的一个特别的优势是实现了几个方差减少技术的执行时间最小化。模型输出与实验衍射和荧光数据的比较显示出良好的定量一致性。
PoDFluX is a new Monte Carlo ray-tracing program that simulates from first principles x-ray powder diffraction from crystalline materials and x-ray fluorescence from materials with a defined elemental composition. This model has been written primarily for the optimization of miniaturized planetary x-ray diffraction instrumentation but wider applications are certainly possible. A particular strength of the model is the implementation of several variance-reduction techniques for the minimization of execution times. Comparisons of model output with experimental diffraction and fluorescence data show good quantitative agreement.