Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session CCC01: V: Soft Matter Physics
3:00 PM–5:00 PM,
Wednesday, March 22, 2023
Room: Virtual Room 1
Sponsoring
Unit:
DSOFT
Chair: Prashant Sharma, Suffolk Univ
Abstract: CCC01.00006 : Anomalies in the sheared nucleation behaviour of glass-forming supercooled liquids
4:00 PM–4:12 PM
Presenter:
Amrita Goswami
(Science Institute, University of Iceland)
Author:
Amrita Goswami
(Science Institute, University of Iceland)
We have formulated a modified Classical Nucleation Theory (called shear-CNT), which is a cost-effective methodology pairing seeded MD simulations with extended CNT equations, explicitly incorporating the shear rate as a dependent variable. Shear-CNT enables us to examine the sheared nucleation behaviour of several systems---water, Lennard-Jones and hard-spheres over a wide range of supercoolings and shear rates inaccessible to brute-force MD. Our results reveal that the non-monotonic variation of the nucleation rate with shear is universal. We also show that the temperature-dependent nucleation behaviour of water exhibits a novel anomaly, which originates from the “Stokes-Einstein (SE) violation”; a well-known decoupling of the zero-shear diffusion coefficient and viscosity in supercooled liquids and glasses. This dependence on the SE violation indicates that this anomaly is a general property of glass-forming liquids, or of 'simple' systems near the glass transition temperature.
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