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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

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Quench, equilibration, and subaging in structural glasses.

Mya Warren¹, Jörg Rottler

¹Department of Physics, University of California at San Diego, La Jolla, California 92093, USA.

Physical Review Letters

|February 7, 2013

Summary

Glassy materials age over time, with relaxation times influenced by initial cooling. Molecular dynamics simulations reveal crossover effects impact aging exponents, but normal aging occurs when these effects are absent.

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Area of Science:

Materials Science
Condensed Matter Physics
Computational Chemistry

Background:

Materials in a glassy state continuously age towards equilibrium.
This aging process involves structural recovery and an increase in relaxation times.
Aging is often characterized by an exponent (μ) describing the sublinear power-law dependence on wait time (t(w)).

Purpose of the Study:

To investigate the influence of crossover effects on the apparent aging exponent (μ) in glass formers.
To quantitatively model the molecular-level aging behavior across various temperatures and wait times.
To determine if normal aging occurs under specific conditions, consistent with existing models.

Main Methods:

Utilizing molecular dynamics simulations for a Lennard-Jones glass former.
Analyzing aging behavior at different temperatures and over a range of wait times.
Employing a coarse-grained continuous time random walk (CTRW) model for quantitative description.

Main Results:

The apparent aging exponent (μ) is significantly affected by crossover effects from quenched to equilibrated states.
The CTRW model accurately reproduces the observed molecular-level aging behavior across all simulated conditions.
Normal aging (t(α)∼t(w)) is observed when crossover effects are negligible.

Conclusions:

Crossover effects are crucial for understanding the apparent aging exponent in glassy systems.
The CTRW model provides a robust framework for describing glass aging dynamics.
The study confirms the occurrence of normal aging in glasses, aligning with established theories like the trap model.