自动化4D-STEM采集分析,实现纳米颗粒原子级结构统计研究
An Interactive, Automated 4D-STEM data acquisition and analysis routine for Scanning Electron Nanobeam Diffraction and Ptychography experiments

- 通过机器决策自动采集数百组4D-STEM数据
- 揭示铂纳米颗粒的取向、形貌与相分布,发现弱{110}织构
- 适合材料表征、电子显微镜自动化研究者
现代透射电子显微镜是理解纳米及原子尺度结构与化学组成的不可或缺工具。当前物理科学中仍主要依赖人工操作,需高技能人员,限制通量,难以进行大规模数据统计分析。近年软硬件进展使显微镜几乎所有功能可通过编程接口交互,实现更好实验设计与数据采集自动化,减少人为偏差并降低操作门槛。本研究提出一种自动化数据采集流程,结合机器驱动决策,对尺寸选择性沉积的铂纳米颗粒采集数百组4D-STEM纳米束衍射与叠层成像数据。同时构建半自动化数据分析工作流,从海量数据中提取关键信息:衍射数据经方位方差分析,结合自动晶体取向映射与粒子形貌描述符,揭示整个样品中取向、形状与相分布特征,包括弱{110}织构;叠层成像数据通过自动化筛选识别轴向颗粒,实现单晶粒原子分辨相位成像与晶格应变图谱。结果表明,自动化将仪器通量转化为具有统计意义的原子级微结构信息。
原文摘要 · Abstract (English)
Modern transmission electron microscopes are versatile instruments which have become indispensable tools for understanding structure and chemical composition at the nano- and atomic scale. In the physical sciences these instruments are still largely manually controlled, requiring significant operator expertise, limiting throughput, and precluding statistical analysis of large datasets. Recent technical advances in both hardware and in control software now allow for the interaction with almost every functionality of the microscope through a programming interface. This enables better experimental design and data collection automation while also reducing operator collection bias and required expertise. In this study, we present an automated data collection routine with machine-driven decision-making to enable the collection of hundreds of 4D-STEM nanobeam diffraction and ptychography data from a large distribution of size-selectively deposited Pt nanoparticles. We present a semi-automated data analysis workflow to extract pertinent information from the large volumes of collected data. For the nanobeam diffraction data, reducing each dataset to its azimuthal variance profile and combining automated crystal orientation mapping with per-particle morphology descriptors reveals the orientation, shape and phase distributions across the ensemble, including a weak {110} texture. For the ptychographic data, an automated screening pipeline identifies on-zone-axis particles and enables atomic-resolution phase imaging and lattice-strain mapping of individual grains. Together these demonstrate how automation turns instrument throughput into statistically meaningful, atomic-scale microstructural information.
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