Mössbauer spectral curve fitting combining fundamentally different techniques

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• 作者：Ferry Susanto^a ; ^b ; ^c ; ; Paulo de Souza Jr.^a ; ^c
• 关键词：Mö ; ssbauer spectroscopy ; Curve-fitting ; Global optimisation ; Local optimisation ; Chi-square test
• 刊名：Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
• 出版年：2016
• 出版时间：15 October 2016
• 年：2016
• 卷：385
• 期：Complete
• 页码：40-45
• 全文大小：782 K

文摘

We propose the use of fundamentally distinctive techniques to solve the problem of curve fitting a Mössbauer spectrum. The techniques we investigated are: evolutionary algorithm, basin hopping, and hill climbing. These techniques were applied in isolation and combined to fit different shapes of Mössbauer spectra. The results indicate that complex Mössbauer spectra can be automatically curve fitted using minimum user input, and combination of these techniques achieved the best performance (lowest statistical error). The software and sample of Mössbauer spectra have been made available through a link at the reference.