Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 113, Issue 36, Pages 10007-10012Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1606891113
Keywords
amorphous materials; glass transition; electrides; molecular dynamics; density functional theory
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Funding
- Laboratory Directed Research and Development program at PNNL
- US Department of Energy [DE-AC05-76RLO1830]
- Accelerated Innovation Research Initiative Turning Top Science and Ideas into High-Impact Values program of the Japan Science and Technology Agency
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Properties of glasses are typically controlled by judicious selection of the glass-forming and glass-modifying constituents. Through an experimental and computational study of the crystalline, molten, and amorphous [Ca12Al14O32](2+) center dot (e(-))(2), we demonstrate that electron anions in this system behave as glass modifiers that strongly affect solidification dynamics, the glass transition temperature, and spectroscopic properties of the resultant amorphous material. The concentration of such electron anions is a consequential control parameter: It invokes materials evolution pathways and properties not available in conventional glasses, which opens a unique avenue in rational materials design.
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