Affiliation:
1. University of Tennessee at Knoxville
2. Oak Ridge National Laboratory
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 CU64.5ZR35.5 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.
Publisher
Research Square Platform LLC
Reference55 articles.
1. Viscous Liquids and the Glass Transition: A Potential Energy Barrier Picture;Goldstein M;The Journal of Chemical Physics,1969
2. Supercooled liquids and the glass transition;Debenedetti PG;Nature,2001
3. Wales, D. J. Energy landscapes. (Cambridge University Press, 2003).
4. Basis glass states: New insights from the potential energy landscape;Gupta PK;Journal of Non-Crystalline Solids: X,2019
5. Cao, P., Short, M. P. & Yip, S. Potential energy landscape activations governing plastic flows in glass rheology. Proc. Natl. Acad. Sci. U.S.A. 116, 18790–18797 (2019).