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Nucleation pathways in barium silicate glasses.

Matthew E McKenzie1, Binghui Deng2, D C Van Hoesen3

  • 1Science and Technology Division, Corning Research and Development Corporation, Corning, NY, 14831, USA. mckenzieme@corning.com.

Scientific Reports
|January 9, 2021
PubMed
Summary
This summary is machine-generated.

Nucleation in barium silicate glasses is driven by a silica-rich core, revealing key cluster compositions and pathways. This study combines computational modeling and experimental analysis for a comprehensive understanding.

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Area of Science:

  • Materials Science
  • Chemical Engineering
  • Condensed Matter Physics

Background:

  • Traditional nucleation theory focuses on critical size, overlooking cluster composition and competing pathways.
  • Understanding nucleation is crucial for controlling material properties and phase transformations.

Purpose of the Study:

  • To investigate the detailed cluster composition and nucleation pathways in barium silicate glasses.
  • To elucidate the thermodynamic and kinetic factors governing nucleation in these glasses.

Main Methods:

  • Utilized Monte Carlo and molecular dynamics simulations to analyze the nucleation landscape.
  • Employed experimental techniques to examine the resulting polycrystals formed during nucleation.

Main Results:

  • Both computational modeling and experimental data identified a silica-rich core as central to the nucleation process.
  • The study revealed significant changes in cluster composition during nucleation.

Conclusions:

  • The nucleation process in barium silicate glasses is dominated by a silica-rich core.
  • A comprehensive approach combining modeling and experiments is essential for understanding complex nucleation phenomena.