Automated analysis of high-resolution transmission electron microscopy (HRTEM) images is increasingly essential for advancing research in organic electronics, where precise characterization of nanoscale crystal structures is crucial for optimizing material properties. This paper introduces an open-source computational framework designed for real-time analysis of HRTEM data, with a focus on characterizing complex microstructures in conjugated polymers, and illustrated using Poly[N-9$'$-heptadecanyl-2,7-carbazole-alt-5,5-(4$'$,7$'$-di-2-thienyl-2$'$,1$'$,3$'$-benzothiadiazole)] (PCDTBT), a key material in organic photovoltaics. The framework employs fast, automated image processing algorithms, enabling rapid extraction of structural features like \textit{d}-spacing, orientation, and shape metrics. Gaussian process optimization rapidly identifies the user-defined parameters in the approach, reducing the need for manual parameter tuning and thus enhancing reproducibility and usability. Additionally, the framework is compatible with high-performance computing (HPC) environments, allowing for efficient, large-scale data processing at near real-time speeds. A unique feature of the framework is a Wasserstein distance-based stopping criterion, which optimizes data collection by determining when further sampling no longer adds statistically significant information. This capability optimizes the amount of time the TEM facility is used while ensuring data adequacy for in-depth analysis. Open-source and tested on a substantial PCDTBT dataset, this tool offers a powerful, robust, and accessible solution for high-throughput material characterization in organic electronics.

翻译：高分辨率透射电镜（HRTEM）图像的自动化分析对于推动有机电子学研究日益重要，其中纳米尺度晶体结构的精确表征对优化材料性能至关重要。本文介绍了一种专为HRTEM数据实时分析设计的开源计算框架，重点针对共轭聚合物中复杂微观结构的表征，并以有机光伏关键材料聚[N-9'-十七烷基-2,7-咔唑-alt-5,5-(4',7'-二-2-噻吩基-2',1',3'-苯并噻二唑)]（PCDTBT）为例进行演示。该框架采用快速自动化图像处理算法，能够高效提取结构特征，如晶面间距、取向和形状参数。高斯过程优化可快速识别方法中用户定义的参数，减少手动参数调整的需求，从而提升可重复性和易用性。此外，该框架兼容高性能计算（HPC）环境，支持以近实时速度进行高效的大规模数据处理。该框架的一个独特功能是基于Wasserstein距离的停止准则，通过判断何时进一步采样不再提供统计显著信息来优化数据收集。这一能力在确保数据充分满足深入分析需求的同时，优化了透射电镜设备的使用时长。该工具基于开源代码，并在大量PCDTBT数据集上经过验证，为有机电子学领域的高通量材料表征提供了一个强大、稳健且易于使用的解决方案。