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在扫描传输电子显微镜图像中对原子列位置的贝叶斯推断

Yuki Nomura¹, Satoshi Anada¹, Shunsuke Kobayashi¹

¹Nanostructures Research Laboratory, Japan Fine Ceramics Center, 2-4-1 Mutsuno, Atsuta-ku, Nagoya, Aichi 456-8587, Japan.

Microscopy (Oxford, England)

|May 9, 2024

概括

贝叶斯推理准确地测量了电子显微镜中的原子位置,即使是低信号. 这种方法精确量化了原子位移,改进了接近表面的材料性质分析.

科学领域:

材料科学材料科学材料科学
显微镜的使用方法
统计物理统计物理

背景情况:

原子分辨率扫描传输电子显微镜 (STEM) 采用二维高斯拟合,为原子位置确定提供皮科米级精度.
在STEM中,测量准确度和精度对原子列的信号噪声比 (SNR) 非常敏感.
目前对STEM测量性能的评估仅限于批量区域,忽略了像表面这样信号退化的区域.

研究的目的:

开发和验证一种定量方法,以评估各个原子列位置测量在不同SNR的准确性和精度.
通过评估在低SNR环境中的性能来解决先前研究的局限性,例如在材料表面附近.
通过概率分析,增强对原子移位和物质性质的理解.

主要方法:

介绍贝叶斯推理作为一个统计框架来评估原子列位置的准确性和精度.
贝叶斯方法应用于模拟和实验STEM图像.
使用矢量图和来自贝叶斯推理的内核密度估计图谱来进行概率解释.

主要成果:

证明了贝叶斯推理在各种SNR条件下准确评估原子列位置的有效性.
成功确定了统计学上显著的原子位移,特别是在信号退化接近表面的区域.
通过先进的数据可视化技术,为了解原子移位提供了一个概率框架.

结论:

贝叶斯推理提供了一种强大的方法来定量评估STEM中的原子位置准确性和精度,特别是在具有挑战性的低SNR场景中.
这种方法提高了原子尺度测量的可靠性,使更准确的材料属性表征成为可能.
来自贝叶斯推理的概率见解对于在材料科学中推进高分辨率成像应用至关重要.

关键词:

在BATIO3O3的基础上马尔科夫连锁蒙特卡罗的蒙特卡罗是一个连锁城市.在SrTiO3O3中使用.原子的移位是原子的移位.扭曲的扭曲是一种扭曲.表面的表面表面的表面表面的表面

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