Nucleation pathways in barium silicate glasses

ME McKenzie and BH Deng and DC Van Hoesen and XS Xia and DE Baker and A Rezikyan and RE Youngman and KF Kelton, SCIENTIFIC REPORTS, 11, 69 (2021).

DOI: 10.1038/s41598-020-79749-2

Nucleation is generally viewed as a structural fluctuation that passes a critical size to eventually become a stable emerging new phase. However, this concept leaves out many details, such as changes in cluster composition and competing pathways to the new phase. In this work, both experimental and computer modeling studies are used to understand the cluster composition and pathways. Monte Carlo and molecular dynamics approaches are used to analyze the thermodynamic and kinetic contributions to the nucleation landscape in barium silicate glasses. Experimental techniques examine the resulting polycrystals that form. Both the modeling and experimental data indicate that a silica rich core plays a dominant role in the nucleation process.

Return to Publications page