Bødker, Mikkel Sandfeld

Christensen, Rasmus

Mauro, John C.

Smedskjær, Morten Mattrup

Sørensen, Luna Gade

Youngman, Randall E.

Østergaard, Martin Bonderup

English

    Aalborg UniversitetStatistical Mechanics View on Cation Interactions in Alkali Aluminoborate GlassesBødker, Mikkel Sandfeld; Christensen, Rasmus; Sørensen, Luna Gade; Østergaard, MartinBonderup; Mauro, John C.; Youngman, Randall E.; Smedskjær, Morten MattrupPublication date:2020Link to publication from Aalborg UniversityCitation for published version (APA):Bødker, M. S., Christensen, R., Sørensen, L. G., Østergaard, M. B., Mauro, J. C., Youngman, R. E., &Smedskjær, M. M. (2020). Statistical Mechanics View on Cation Interactions in Alkali Aluminoborate Glasses.Abstract from Young Researcher’s Glass Conference, .General rightsCopyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright ownersand it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights.            ? Users may download and print one copy of any publication from the public portal for the purpose of private study or research.            ? You may not further distribute the material or use it for any profit-making activity or commercial gain            ? You may freely distribute the URL identifying the publication in the public portal ?Take down policyIf you believe that this document breaches copyright please contact us at vbn@aub.aau.dk providing details, and we will remove access tothe work immediately and investigate your claim.Downloaded from vbn.aau.dk on: December 26, 2020Statistical Mechanics View on Cation Interactions in Alkali Aluminoborate Glasses  Mikkel S. Bødker1, Rasmus Christensen1, Luna G. Sørensen1, Martin B. Østergaard1, John C. Mauro2, Randall E. Youngman3, Morten M. Smedskjaer1    1. Department of Chemistry and Bioscience, Aalborg University, Denmark 2. Department of Materials Science and Engineering, Pennsylvania State University, USA 3. Science and Technology Division, Corning Incorporated, USA    Predicting the compositional evolution of the structure and properties of oxide glasses is important for designing new materials for advanced applications. In aluminoborate glasses, the structural role of aluminum highly depends on the modifier concentration. When the modifier oxide concentration exceeds that of alumina, aluminum is primarily found in a 4-fold coordinated network-forming site. At lower relative modifier concentration, aluminum becomes 5- or 6-fold coordinated. The bonding preference of these high-coordinated aluminum ions have not yet been fully understood. In this study, we develop a statistical mechanics model to describe the composition-structure relation in the ternary Na2O-Al2O3-B2O3 glass system. We find that the structure of Cs2O-Al2O3-B2O3 and Li2O-Al2O3-B2O3 glasses can be accurately described using the Al-B interaction parameters determined for the Na2O-Al2O3-B2O3 glasses. Our findings thus give new insights into the bonding preferences for both high-coordinated aluminum species and alkali cations.   Reference: Bødker M. S., Christensen R., Sørensen L. G., Østergaard M. B., Youngman R. E., Mauro J. C., Smedskjaer M. M. Predicting Cation Interactions in Alkali Aluminoborate Glasses using Statistical Mechanics. Journal of Non-Crystalline Solids 544, 120099 (2020).   

Statistical Mechanics View on Cation Interactions in Alkali Aluminoborate Glasses

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Statistical Mechanics View on Cation Interactions in Alkali Aluminoborate Glasses

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