Tung Chi-Huan, Hsiao Yu-Jung, Chen Hsin-Lung, Huang Guan-Rong, Porcar Lionel, Chang Ming-Ching, Carrillo Jan-Michael, Wang Yangyang, Sumpter Bobby G, Shinohara Yuya, Taylor Jon, Do Changwoo, Chen Wei-Ren
Department of Chemical Engineering, National Tsing Hua University, Hsinchu, 30013, Taiwan.
Department of Materials and Optoelectronic Science, National Sun Yat-sen University, Kaohsiung, 80424, Taiwan.
J Colloid Interface Sci. 2024 Apr;659:739-750. doi: 10.1016/j.jcis.2024.01.003. Epub 2024 Jan 5.
The formation of distorted lamellar phases, distinguished by their arrangement of crumpled, stacked layers, is frequently accompanied by the disruption of long-range order, leading to the formation of interconnected network structures commonly observed in the sponge phase. Nevertheless, traditional scattering functions grounded in deterministic modeling fall short of fully representing these intricate structural characteristics. Our hypothesis posits that a deep learning method, in conjunction with the generalized leveled wave approach used for describing structural features of distorted lamellar phases, can quantitatively unveil the inherent spatial correlations within these phases.
This report outlines a novel strategy that integrates convolutional neural networks and variational autoencoders, supported by stochastically generated density fluctuations, into a regression analysis framework for extracting structural features of distorted lamellar phases from small angle neutron scattering data. To evaluate the efficacy of our proposed approach, we conducted computational accuracy assessments and applied it to the analysis of experimentally measured small angle neutron scattering spectra of AOT surfactant solutions, a frequently studied lamellar system.
The findings unambiguously demonstrate that deep learning provides a dependable and quantitative approach for investigating the morphology of wide variations of distorted lamellar phases. It is adaptable for deciphering structures from the lamellar to sponge phase including intermediate structures exhibiting fused topological features. This research highlights the effectiveness of deep learning methods in tackling complex issues in the field of soft matter structural analysis and beyond.
扭曲层状相的形成,其特征在于其皱缩、堆叠层的排列,经常伴随着长程有序的破坏,导致在海绵相中常见的相互连接的网络结构的形成。然而,基于确定性建模的传统散射函数不足以完全表征这些复杂的结构特征。我们的假设认为,一种深度学习方法,结合用于描述扭曲层状相结构特征的广义分层波方法,可以定量揭示这些相中固有的空间相关性。
本报告概述了一种新颖的策略,该策略将卷积神经网络和变分自编码器与随机生成的密度波动相结合,纳入一个回归分析框架,用于从小角中子散射数据中提取扭曲层状相的结构特征。为了评估我们提出的方法的有效性,我们进行了计算精度评估,并将其应用于对AOT表面活性剂溶液(一个经常研究的层状体系)的实验测量小角中子散射光谱的分析。
研究结果明确表明,深度学习为研究各种扭曲层状相的形态提供了一种可靠且定量的方法。它适用于从层状相到海绵相的结构解析,包括具有融合拓扑特征的中间结构。这项研究突出了深度学习方法在解决软物质结构分析及其他领域复杂问题方面的有效性。