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Insight into the structure-elastic property relationship of calcium silicate glasses: a multi-length scale approach
Mohamed Naji1, Othman El Kssiri, Sandra Ory
1LPAIS Laboratory, University of Sidi Mohamed Ben Abdellah, B. P. 1796 Fès-Atlas, 30003, Morocco. mohamed.naji3@usmba.ac.ma.
Physical Chemistry Chemical Physics : PCCP
|August 12, 2021
Summary
This study reveals how calcium silicate glass structure strengthens with increased calcium content. Molecular dynamics and spectroscopy show enhanced atomic bonding, improving elastic properties for industrial applications.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid State Chemistry
Background:
- Understanding composition-structure-property relationships is crucial for designing advanced materials.
- Calcium silicate glasses are vital industrial materials with tunable properties.
- Investigating atomic-level structural changes provides insights into macroscopic behavior.
Purpose of the Study:
- To elucidate the relationship between atomic structure and elastic properties in calcium silicate glasses.
- To determine how calcium content influences the glass network and its mechanical behavior.
- To provide a foundational understanding for multi-component industrial glass development.
Main Methods:
- Utilizing molecular dynamics simulations to model atomic arrangements.
- Employing Raman spectroscopy to probe short- and intermediate-range order.
- Applying Brillouin light scattering spectroscopy to measure elastic constants.
Main Results:
- Molecular dynamics and Raman spectroscopy revealed polymerized silicate chains adjusting Si-O-Si angles to accommodate calcium oxide polyhedra.
- Brillouin spectroscopy demonstrated a direct correlation between increasing calcium content and enhanced elastic constants.
- The study identified strengthened cohesion due to improved binding within cross-linked calcium-silicate frameworks.
Conclusions:
- Calcium's role in strengthening the glass framework and enhancing elastic properties is demonstrated.
- The findings offer a fundamental contribution to understanding composition-structure-property correlations in glasses.
- This research supports the rational design of multi-component industrial glasses with tailored mechanical performance.
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