Simulations of supercooled liquid molecular dynamics may lead to higher-quality glass production at lower cost

Similarly, supercooled liquids are not quite solid, in the sense that their fundamental particles do not stick to a lattice pattern with long-range order, but they are also not ordinary liquids, because the particles also lack the energy to move freely. More research is required to reveal the physics of these complex systems.

“Using numerical analysis within a computer model of glass-forming liquids, we showed how fundamental particle rearrangements can influence the structural order and dynamic behavior,” the lead author of the study, Seiichiro Ishino says.

The team demonstrated that a process they call “T1,” which maintains the order formed within the liquid, is the key to understanding cooperative dynamics.

One example is the energy required to rearrange individual particles in a disordered material. “Arrhenius behavior” means that a process needs to rely on random thermal fluctuations, and the rate exponentially decreases as the energy barrier gets larger. However, situations that require cooperative rearrangement of particles may be even more rare, especially at low temperatures. These are sometimes called super-Arrhenius relationships.

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Simulations of supercooled liquid molecular dynamics may lead to higher-quality glass production at lower cost (2025, January 8)
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“Our research offers us a new microscopic perspective on the long-sought origin of dynamic cooperativity in glass-forming substances. We anticipate that these findings will contribute to better control of material dynamics, leading to more efficient material design and enhanced glass manufacturing processes,” senior author Hajime Tanaka says. This may include stronger and more durable glass for smartphones and other applications.

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