Revealing the void-size distribution of silica glass using persistent homology
Published:
The void structure of silica glass is extracted using persistent homology.
Abstract
Oxide glasses have proven to be useful across a wide range of technological applications. Nevertheless, their medium-range structure has remained elusive. Previous studies focused on ring statistics as a metric of the medium-range structure, but this metric provides an incomplete picture of the glassy structure. Here, we use atomistic simulations and state-of-the-art topological analysis tools, namely persistent homology (PH), to analyze the medium-range structure of the archetypal oxide glass (Silica) at ambient temperatures and with varying pressures. PH presents an unbiased definition of loops and voids, providing an advantage over other methods for studying the structure and topology of complex materials, such as glasses, across multiple length scales. We captured subtle topological transitions in medium-range order and cavity distributions, providing new insights into glass structure. Our work provides a robust way for extracting the void distribution of oxide glasses based on PH.
Recommended citation: A. Atila, Y. Bakhouch, Z. Xie. "Revealing the void-size distribution of silica glass using persistent homology." Materialia. 44(102613).
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