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Structures of Iron-Lithium-Calcium-Silicate Glass and its Devitrified State

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Abstract

The structure of SiO2-Li2O-CaO-Fe2O3 glass is studied by neutron diffraction together with Reverse Monte Carlo simulation as well as by Raman and Extended X-ray Absorption Fine Structure spectroscopy. In order to check for the extent to which iron oxide can be successfully included in the glass, 15 mol% iron was tried but resulted in partial devitrification. Average local structure parameters are presented. The first neighbour distances were found to be independent of concentration within the limits of error: rSi-O = 1.60 Å; rFe-O = 1.90 Å; rLi-O = 1.95/2.0 Å and rCa-O = 2.30 Å. Tetrahedral units of Si(O) – from SiO2 - and Fe(O) – from Fe2O3 - with average coordination numbers 3.48 and 4.59 respectively, were found. Raman spectral analyses show the Q1 and Q2 connections to be more numerous (~50%) for the purely glassy (10Fe), than for 15Fe (~60%), with Q3 connections occurring twice as often (~35%) for the glass as the devitrified sample (~17%). Thus, the devitrified sample may have a more open structure capable of accommodating Fe ions in nano-sized iron-rich regions as indicated by the RMC.

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Acknowledgments

The authors gratefully acknowledge funding for this work by the UGC-DAE CSR Project CRS-M-209. Thanks are due to Materials Research Centre (MNIT, Jaipur) for collecting the Raman spectroscopic data. Grateful thanks are also due to Dr. Debasis Sen of S.S.P.D, B.A.R.C, Mumbai - India for the information from SANS. Dr. Manjunath T. Nayak is pleased to acknowledge the support of a UGC BSR Fellowship as a Senior Research Fellow.

Funding

The authors gratefully acknowledge funding for this work by the UGC-DAE CSR Project CRS-M-209. Dr. Manjunath T. Nayak is pleased to acknowledge the support of a UGC BSR Fellowship as a Senior Research Fellow.

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Author notes

  1. Manjunath T. Nayak

    Present address: Department of Physics, Carmel College of Arts, Science and Commerce for Women, Nuvem, Goa, 403713, India

Authors and Affiliations

  1. School of Physical and Applied Sciences, Goa University, Taleigao Plateau, Goa, 403206, India

    Manjunath T. Nayak & J. A. Erwin Desa

  2. Solid State Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai, 400085, India

    P.S.R. Krishna & A.B. Shinde

  3. Environmental Physics Department, Centre for Energy Research, Konkoly-Thege, St. 29-33, Budapest, 1121, Hungary

    Margit Fabian

  4. Atomic and Molecular Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai, 400085, India

    C. Nayak, D. Bhattacharyya & S. N. Jha

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  1. Manjunath T. Nayak
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Contributions

Manjunath T. Nayak: Conceptualization, Methodology, Software Investigation, Writing- Original Draft.

J.A. Erwin Desa: Supervision, Project administration, Funding acquisition, Investigation, Writing – Review and Editing.

P.S.R. Krishna: Software, Investigation, Formal analysis.

A.B. Shinde: Investigation, Formal analysis.

Margit Fábián: Software, Formal analysis, Writing – commentary or revision.

C. Nayak: Validation, Investigation, Formal analysis, Writing – commentary or revision.

D. Bhattacharyya: Investigation, Formal analysis.

S. N. Jha: investigation, Formal analysis.

Corresponding author

Correspondence to Manjunath T. Nayak.

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As corresponding author, I Manjunath Timappa Nayak, hereby confirm on behalf of all authors that, this manuscript has not been published, was not, and is not being submitted to any other journal.

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As corresponding author, I Manjunath Timappa Nayak, hereby consent on behalf of all authors to participate & publication.

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The authors declare that they have no known conflict of interest that could have appeared to influence the work reported in this paper.

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Nayak, M.T., Desa, J.A.E., Krishna, P. et al. Structures of Iron-Lithium-Calcium-Silicate Glass and its Devitrified State. Silicon 14, 10337–10345 (2022). https://doi.org/10.1007/s12633-022-01789-2

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  • DOI: https://doi.org/10.1007/s12633-022-01789-2

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