Insights into distorted lamellar phases with small-angle scattering and machine learning.

IF 6.1 3区 材料科学 Q1 Biochemistry, Genetics and Molecular Biology
Journal of Applied Crystallography Pub Date : 2025-02-11 eCollection Date: 2025-04-01 DOI:10.1107/S1600576725000317
Chi-Huan Tung, Lijie Ding, Guan-Rong Huang, Lionel Porcar, Yuya Shinohara, Bobby G Sumpter, Changwoo Do, Wei-Ren Chen
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引用次数: 0

Abstract

Lamellar phases are essential in various soft matter systems, with topological defects significantly influencing their mechanical properties. In this report, we present a machine-learning approach for quantitatively analyzing the structure and dynamics of distorted lamellar phases using scattering techniques. By leveraging the mathematical framework of Kolmogorov-Arnold networks, we demonstrate that the conformations of these distorted phases - expressed as superpositions of complex waves - can be reconstructed from small-angle scattering intensities. Through the contour analysis of wave field phase singularities, we obtain the statistics of the spatial distribution of topological defects. Furthermore, we establish that the temporal evolution of these defects can be derived from the time-dependent traveling wave field, informed by the dispersion relation of spectral components. This method opens new avenues for investigating the dynamics of distorted lamellar phases using various dynamic scattering techniques such as neutron spin echo and X-ray photon correlation spectroscopy. These findings enhance our microscopic understanding of how defects influence the physical properties of lamellar materials, with implications for both equilibrium and non-equilibrium states in general lamellar systems.

用小角散射和机器学习研究扭曲层状相。
在各种软物质体系中,片层相是必不可少的,其拓扑缺陷对其力学性能有重要影响。在本报告中,我们提出了一种机器学习方法,用于利用散射技术定量分析扭曲层状相的结构和动力学。通过利用Kolmogorov-Arnold网络的数学框架,我们证明了这些畸变相的构象-表示为复杂波的叠加-可以从小角度散射强度重建。通过波场相位奇点的等值线分析,得到了拓扑缺陷的空间分布统计。此外,我们还建立了这些缺陷的时间演化可以从随时间变化的行波场中推导出来,由光谱分量的色散关系来表示。该方法为利用中子自旋回波和x射线光子相关光谱等各种动态散射技术研究扭曲层状相的动力学开辟了新的途径。这些发现增强了我们对缺陷如何影响层状材料物理性质的微观理解,对一般层状系统的平衡和非平衡状态都有影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
10.00
自引率
3.30%
发文量
178
审稿时长
4.7 months
期刊介绍: Many research topics in condensed matter research, materials science and the life sciences make use of crystallographic methods to study crystalline and non-crystalline matter with neutrons, X-rays and electrons. Articles published in the Journal of Applied Crystallography focus on these methods and their use in identifying structural and diffusion-controlled phase transformations, structure-property relationships, structural changes of defects, interfaces and surfaces, etc. Developments of instrumentation and crystallographic apparatus, theory and interpretation, numerical analysis and other related subjects are also covered. The journal is the primary place where crystallographic computer program information is published.
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