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

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

14 February 2024 | Leo Zella, Jaeyun Moon, Takeshi Egami
The study investigates the potential energy landscape of metallic glass, specifically a Cu64.5Zr35.5 alloy, using molecular dynamics simulations. The researchers found that the energy barriers between different structural states are surprisingly low, on the order of 1 meV, suggesting that even quantum fluctuations can overcome these barriers. This observation challenges the assumption that metallic glasses are completely frozen at the atomic level. The study also reveals that the system exhibits transient mechanical relaxation, with lossy atoms (those undergoing significant atomic rearrangements) becoming non-lossy in subsequent cycles, indicating a high degree of reversibility at cryogenic temperatures. However, at higher temperatures, the system shows more irreversible behavior, with lossy atoms transitioning to non-lossy states. The activation energies for these transitions are much smaller than those for typical α and β relaxations, highlighting the complex and dynamic nature of the potential energy landscape in metallic glasses. The findings suggest that the local structure of metallic glasses is not static but fluctuates, even at room temperature, and that quantum fluctuations play a significant role in driving these changes.The study investigates the potential energy landscape of metallic glass, specifically a Cu64.5Zr35.5 alloy, using molecular dynamics simulations. The researchers found that the energy barriers between different structural states are surprisingly low, on the order of 1 meV, suggesting that even quantum fluctuations can overcome these barriers. This observation challenges the assumption that metallic glasses are completely frozen at the atomic level. The study also reveals that the system exhibits transient mechanical relaxation, with lossy atoms (those undergoing significant atomic rearrangements) becoming non-lossy in subsequent cycles, indicating a high degree of reversibility at cryogenic temperatures. However, at higher temperatures, the system shows more irreversible behavior, with lossy atoms transitioning to non-lossy states. The activation energies for these transitions are much smaller than those for typical α and β relaxations, highlighting the complex and dynamic nature of the potential energy landscape in metallic glasses. The findings suggest that the local structure of metallic glasses is not static but fluctuates, even at room temperature, and that quantum fluctuations play a significant role in driving these changes.
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