What is it about?
The next decade offers significant opportunities for being able to predict the structure and related properties of glasses and amorphous materials by computer simulation. This perspective discusses the existing challenges and opportunities, based around the themes of glass forming procedures, the development of interatomic potentials, and machine learning applications.
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Why is it important?
We recommend a hierarchical validation framework for assessing the structural fidelity, property prediction, and behavioral realism of simulation techniques. Transformative advances are promised by the fusion of classical techniques with approaches based on machine learning.
Perspectives
Glasses remain among the most challenging materials to understand at a fundamental level. The absence of long-range order, the nonequilibrium nature of the glassy state, and the sensitivity of structure to thermal history conspire to make glasses resistant to the traditional theoretical frameworks that have proven so successful for crystalline materials. The perspective offers a fascinating insight into the issues involved and how they can be addressed.
Professor Philip S Salmon
University of Bath
Read the Original
This page is a summary of: Atomistic Simulation of Glasses and Amorphous Materials: Challenges and Opportunities for the Next Decade, Journal of the American Ceramic Society, August 2026, Wiley,
DOI: 10.1111/jace.71055.
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