2021
DOI: 10.1038/s41598-020-79749-2
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Nucleation pathways in barium silicate glasses

Abstract: 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 … Show more

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Cited by 15 publications
(8 citation statements)
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“…Below a certain threshold, the sizes of these dynamic regions are too small for nucleation . Ordering occurs first in these dynamic regions, followed by an increasing density (lowering of entropy). , A recent study on protein crystallization using time-resolved liquid-cell TEM demonstrated that proteins in the lattice are mobile throughout the crystal structure in the early stage of crystallization . The intermolecular bonds or contacts can break and reform rapidly, supporting the hypothesis of flexible and dynamic intermediates.…”
Section: Discussion On the Role And The Development Of The Mipmentioning
confidence: 92%
“…Below a certain threshold, the sizes of these dynamic regions are too small for nucleation . Ordering occurs first in these dynamic regions, followed by an increasing density (lowering of entropy). , A recent study on protein crystallization using time-resolved liquid-cell TEM demonstrated that proteins in the lattice are mobile throughout the crystal structure in the early stage of crystallization . The intermolecular bonds or contacts can break and reform rapidly, supporting the hypothesis of flexible and dynamic intermediates.…”
Section: Discussion On the Role And The Development Of The Mipmentioning
confidence: 92%
“…Adapted from Ref. 41 with permission from Elsevier Modern computational study of glasses also has advanced to the point in which the study of fracture toughness and crack behavior, 49 or nucleation pathways in glass-ceramic systems, 50 are possible. These advances, in combination with many new developments in terization, will continue to change the way we understand technical glasses.…”
Section: Computational Determination Of Glass Structure and Behaviormentioning
confidence: 99%
“…On this representative image, which refers to the specimen modified with 1% hydrophilic nanoparticles (fracture surface), three spectra were examined. Spectrum 1 reveals that the analyzed particle may be interpreted as ytterbium trifluoride (YbF3) particle [17], while Spectrum 2 indicates that it may be interpreted as barium silicate glass (1BaO 2SiO2) [18,19]. Both ytterbium trifluoride and barium silicate glass are most likely used as fillers in base flowable composite material.…”
Section: 2edx Analysismentioning
confidence: 99%