We investigate the effect of low temperature (cryogenic) thermal cycling on dynamics of a generic model glass via molecular dynamics simulations. By calculating mean squared displacements after a varying number of cycles, a pronounced enhancement of dynamics is observed. This rejuvenation effect is visible already after the first cycle and accumulates upon further cycling in an intermittent way. Our data reveal an overall deformation (buckling of the slab-shaped system) modulated by a heterogeneous deformation field due to deep cryogenic thermal cycling. It is shown via strain maps that deformation localizes in the form of shear-bands, which gradually fill the entire sample in a random and intermittent manner, very much similar to the accumulation effect observed in dynamics. While spatial organization of local strain may be connected to the specific geometry, we argue that the heterogeneity of the structure is the main cause behind rejuvenation effects observed in the present study.
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21 June 2022
Research Article|
June 16 2022
Enhanced dynamics in deep thermal cycling of a model glass
Special Collection:
Slow Dynamics
Marian Bruns
;
(Conceptualization, Data curation, Formal analysis, Methodology, Software, Validation, Visualization, Writing–original draft, Writing–review and editing)
Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-Universität Bochum
, Universitätsstraße 150, 44801 Bochum, Germany
b)Author to whom correspondence should be addressed: [email protected]. Tel.: +49 234 32 29194. Fax: +49 234 32 14989
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Fathollah Varnik
Fathollah Varnik
b)
(Formal analysis, Funding acquisition, Project administration, Writing–review and editing)
Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-Universität Bochum
, Universitätsstraße 150, 44801 Bochum, Germany
b)Author to whom correspondence should be addressed: [email protected]. Tel.: +49 234 32 29194. Fax: +49 234 32 14989
Search for other works by this author on:
b)Author to whom correspondence should be addressed: [email protected]. Tel.: +49 234 32 29194. Fax: +49 234 32 14989
Note: This paper is part of the JCP Special Topic on Slow Dynamics.
J. Chem. Phys. 156, 234501 (2022)
Article history
Received:
March 31 2022
Accepted:
May 31 2022
Citation
Marian Bruns, Fathollah Varnik; Enhanced dynamics in deep thermal cycling of a model glass. J. Chem. Phys. 21 June 2022; 156 (23): 234501. https://doi.org/10.1063/5.0094024
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