Ripples in the bottom of the potential energy landscape of metallic glass

Leo Zella, Jaeyun Moon and Takeshi Egami ()
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Leo Zella: The University of Tennessee
Jaeyun Moon: Materials Science and Technology Division, Oak Ridge National Laboratory
Takeshi Egami: The University of Tennessee

Nature Communications, 2024, vol. 15, issue 1, 1-7

Abstract: Abstract In the absence of periodicity, the structure of glass is ill-defined, and a large number of structural states are found at similar energy levels. However, little is known about how these states are connected to each other in the potential energy landscape. We simulate mechanical relaxation by molecular dynamics for a prototypical $${{{\rm{C}}}}{{{{\rm{u}}}}}_{64.5}{{{\rm{Z}}}}{{{{\rm{r}}}}}_{35.5}$$ C u 64.5 Z r 35.5 metallic glass and follow the mechanical energy loss of each atom to track the change in the state. We find that the energy barriers separating these states are remarkably low, only of the order of 1 meV, implying that even quantum fluctuations can overcome these potential energy barriers. Our observation of numerous small ripples in the bottom of the potential energy landscape puts many assumptions regarding the thermodynamic states of metallic glasses into question and suggests that metallic glasses are not totally frozen at the local atomic level.

Date: 2024
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DOI: 10.1038/s41467-024-45640-1

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