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Energy landscape-driven non-equilibrium evolution of inherent structure in disordered material
Yue Fan1, Takuya Iwashita2, Takeshi Egami3,4,5,6
1Department of Mechanical Engineering, University of Michigan, Ann Arbor, Michigan 48109, USA.
Nature Communications
|May 20, 2017
Summary
This study simplifies metallic glass dynamics using potential energy landscape (PEL) excitations. It reveals decoupled activation and relaxation steps explain aging, rejuvenation, and thermal hysteresis.
Area of Science:
- Condensed matter physics
- Materials science
- Computational physics
Background:
- Complex states in glasses are described by the potential energy landscape (PEL).
- The high dimensionality of PEL makes describing system dynamics challenging.
- Understanding macroscopic states like aging and rejuvenation in metallic glasses is crucial.
Purpose of the Study:
- To develop a simplified model for predicting macroscopic state evolution in metallic glasses.
- To demonstrate that simple equations describing potential energy landscape excitations can predict glass behavior.
- To elucidate the role of activation and relaxation dynamics in PEL.
Main Methods:
- Modeling the potential energy landscape (PEL) dynamics in metallic glasses.
- Developing simple equations for PEL excitations.
- Analyzing the interplay between decoupled activation and relaxation steps.
- Validating predictions with molecular dynamics simulations.
Main Results:
- A simplified model predicts aging and rejuvenation in metallic glasses using PEL excitations.
- Decoupled activation and relaxation steps are identified as key to PEL dynamics.
- The model explains equilibrium in supercooled liquids and thermal hysteresis.
- Anomalous peaks in truncated thermal scanning are predicted and validated.
Conclusions:
- The interplay between activation and relaxation in the PEL governs metallic glass behavior.
- A simplified approach using PEL excitations provides a powerful tool for understanding glass aging and rejuvenation.
- The model offers new insights into the thermodynamics and kinetics of glassy systems.
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