Energy landscape-driven non-equilibrium evolution of inherent structure in disordered material

Nature Communications
Yue FanTakeshi Egami

Abstract

Complex states in glasses can be neatly expressed by the potential energy landscape (PEL). However, because PEL is highly multi-dimensional it is difficult to describe how the system moves around in PEL. Here we demonstrate that it is possible to predict the evolution of macroscopic state in a metallic glass, such as ageing and rejuvenation, through a set of simple equations describing excitations in the PEL. The key to this simplification is the realization that the step of activation from the initial state to the saddle point in PEL and the following step of relaxation to the final state are essentially decoupled. The model shows that the interplay between activation and relaxation in PEL is the key driving force that simultaneously explains both the equilibrium of supercooled liquid and the thermal hysteresis observed in experiments. It further predicts anomalous peaks in truncated thermal scanning, validated by independent molecular dynamics simulation.

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Citations

Jan 9, 2019·The European Physical Journal. E, Soft Matter·Robert S Hoy
May 20, 2018·Physical Review. E·Armand BarbotSylvain Patinet
Apr 26, 2018·Physical Review Letters·Bin XuL T Kong
Sep 6, 2020·Polymers·Constantino Torregrosa CabanillesJosé Luis Gómez Ribelles
Nov 21, 2020·Physical Review. E·Chae Woo Ryu, Takeshi Egami
Nov 3, 2020·Frontiers in Chemistry·Takeshi Egami, Chae Woo Ryu
Apr 2, 2021·Proceedings of the National Academy of Sciences of the United States of America·Loni KringleGreg A Kimmel
May 26, 2021·Journal of Physics. Condensed Matter : an Institute of Physics Journal·K Trachenko, A Zaccone
Mar 20, 2020·The Journal of Physical Chemistry Letters·Shan ZhangPengfei Guan
Nov 25, 2020·The Journal of Physical Chemistry. B·Longwen TangMathieu Bauchy

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Methods Mentioned

BETA
differential scanning calorimetry

Software Mentioned

ART
PEL

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