کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1480572 | 1510416 | 2015 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Analysis of soda-lime glasses using non-negative matrix factor deconvolution of Raman spectra
ترجمه فارسی عنوان
تجزیه و تحلیل عینک گدازه لیمو با استفاده از اختلاط فاکتور ماتریس غیر منفی طیف رامان
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سرامیک و کامپوزیت
چکیده انگلیسی
Novel statistical analysis and machine learning algorithms are proposed for the deconvolution and interpretation of Raman spectra of silicate glasses in the Na2O-CaO-SiO2 system. Raman spectra are acquired along diffusion profiles of three pairs of glasses centered around an average composition of 69.9 wt.% SiO2, 12.7 wt.% CaO, and 16.8 wt.% Na2O. The shape changes of the Raman spectra across the compositional domain are analyzed using a combination of principal component analysis (PCA) and sparse non-negative matrix factorization (NMF). This procedure yields components accounting for the observed changes, as well as their mixing proportions, without any direct prior assumption as to their actual shape, number or position. These methods are applied separately to the Q band (wavenumbers in the range 850-1400 cmâ 1), the main band (200-850 cmâ 1), and to the whole spectra (200-1400 cmâ 1). Compositional profiles obtained by Electron Probe Micro-Analysis (EPMA) are then used to relate spectral components to structural entities. Spectral components extracted from a Q band analysis and a complete spectral analysis show significant similarities both in terms of shape of the components and their mixing proportions. This result implies a link between Qn species and the shift of the medium-range network features in the main band of the Raman spectra. To illustrate the possibilities of the method, a linear regression model is used to relate the proportions of spectral components derived from the Raman spectra to chemical composition. This model can be used to determine the composition of different glasses inside the investigated compositional domain with reasonable accuracy.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Non-Crystalline Solids - Volume 428, 15 November 2015, Pages 121-131
Journal: Journal of Non-Crystalline Solids - Volume 428, 15 November 2015, Pages 121-131
نویسندگان
William Woelffel, Corinne Claireaux, Michael J. Toplis, Ekaterina Burov, Ãtienne Barthel, Abhay Shukla, Johan Biscaras, Marie-Hélène Chopinet, Emmanuelle Gouillart,