Multimodal reconstruction of TbCo thin-film structure with Bayesian analysis of polarized neutron reflectivity

IF 5.2 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY
P. S. Savchenkov, K. V. Nikolaev, V. I. Bodnarchuk, A. N. Pirogov, A. V. Belushkin, S. N. Yakunin
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引用次数: 0

Abstract

Bayesian analysis has been applied to polarized neutron reflectivity data. Reflectivity data from a magnetic TbCo thin-film structure were studied using a combination of a Monte Carlo Markov-chain algorithm, likelihood estimation and error modeling. By utilizing Bayesian analysis, it was possible to investigate the uniqueness of the solution beyond reconstructing the magnetic and structure parameters. The expedience of this approach has been demonstrated, as several probable reconstructions were found (the multimodality case) concerning the isotopic composition of the surface cover layer. Such multimodal reconstruction emphasizes the importance of rigorous data analysis instead of the direct data fitting approach, especially in the case of poor statistically conditioned data typical for neutron reflectivity experiments. This article presents details of the analysis and a discussion of multimodality.

Abstract Image

基于偏振中子反射率贝叶斯分析的TbCo薄膜结构多模态重构
贝叶斯分析已应用于极化中子反射率数据。采用蒙特卡罗马尔可夫链算法、似然估计和误差建模相结合的方法研究了磁性TbCo薄膜结构的反射率数据。利用贝叶斯分析,除了重建磁性和结构参数之外,还可以研究解的唯一性。这种方法的便捷性已被证明,因为发现了几种关于地表覆盖层同位素组成的可能重建(多模态情况)。这种多模态重建强调了严格的数据分析的重要性,而不是直接的数据拟合方法,特别是在中子反射率实验中典型的统计条件差的数据的情况下。本文详细介绍了多模态的分析和讨论。
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来源期刊
Journal of Applied Crystallography
Journal of Applied Crystallography CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY
CiteScore
7.80
自引率
3.30%
发文量
178
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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