Paul Scherrer Institute, 5232 Villigen PSI, Switzerland.
Department Physik, Naturwissenschaftlich-Technische Fakultät, Universität Siegen, 57068, Siegen, Germany.
Sci Rep. 2017 Apr 4;7:45618. doi: 10.1038/srep45618.
Mixtures of different particle species are often investigated using the angular averages of the scattered X-ray intensity. The number of species is deduced by singular value decomposition methods. The full disentanglement of the data into per-species contributions requires additional knowledge about the system under investigation. We propose to exploit higher-order angular X-ray intensity correlations with a new computational protocol, which we apply to synchrotron data from two-species mixtures of two-dimensional static test nanoparticles. Without any other information besides the correlations, we demonstrate the assessment of particle species concentrations in the measured data sets, as well as the full ab initio reconstruction of both particle structures. The concept extends straightforwardly to more species and to the three-dimensional case, whereby the practical application will require the measurements to be performed at an X-ray free electron laser.
不同颗粒种类的混合物通常使用散射 X 射线强度的角度平均值进行研究。种类的数量通过奇异值分解方法推断。将数据完全分解为每种物质的贡献需要有关所研究系统的其他知识。我们建议利用更高阶角 X 射线强度相关关系，并提出一种新的计算方案，我们将其应用于来自二维静态测试纳米粒子两种混合物的同步加速器数据。除了相关关系之外，我们无需其他任何信息，即可证明在测量数据集评估颗粒种类浓度，以及从头开始完全重建两种颗粒结构。该概念可以直接扩展到更多种类和三维情况，实际应用将需要在 X 射线自由电子激光下进行测量。
