SAXS稀多分散球形体系的逐步提取粒度分布计算方法

IF 2.9 4区工程技术 Q1 MULTIDISCIPLINARY SCIENCES

Advanced Theory and Simulations Pub Date : 2025-05-13 DOI:10.1002/adts.202500323

Rongchao Chen, Jianhua He

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引用次数: 0

摘要

小角X射线散射（SAXS）是研究材料纳米结构的一种强有力的表征方法，它可以提供稀多分散体系的尺寸分布。本文提出了一种基于多层散射理论和迭代优化的逐级提取尺寸分布计算方法。通过从低q区到高q区逐级拟合散射数据，计算出由大到小的尺寸分布。通过一个实际研究实例，比较了SESDC法和McSAS法的计算结果。SESDC方法计算的尺寸分布稳定，易于综合分析。

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Stepwise Extracting Size Distribution Calculation (SESDC) Method for SAXS Dilute Polydisperse Spherical Systems

Small angle X‐ray scattering (SAXS) is a powerful characterization method for studying nanostructures of materials, which can provide the size distribution for dilute polydisperse systems. In this contribution, a stepwise extracting size distribution calculation (SESDC) method based on multi‐level scattering theory and iterative optimization is proposed. It calculates the size distributions from large to small parts by fitting scattering data stepwise from the low q region to the high q region. A practical research example is used to compare the calculation results of SESDC method and McSAS method. Size distributions calculated by SESDC method are stable and easy to comprehensively analyze.

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来源期刊

Advanced Theory and Simulations Multidisciplinary-Multidisciplinary

CiteScore

5.50

自引率

3.00%

发文量

221

期刊介绍： Advanced Theory and Simulations is an interdisciplinary, international, English-language journal that publishes high-quality scientific results focusing on the development and application of theoretical methods, modeling and simulation approaches in all natural science and medicine areas, including: materials, chemistry, condensed matter physics engineering, energy life science, biology, medicine atmospheric/environmental science, climate science planetary science, astronomy, cosmology method development, numerical methods, statistics