Data and scripts from: Configurational entropy measurements in extremely supercooled liquids that break the glass ceiling


The data files in this collection are associated with "Configurational entropy measurements in extremely supercooled liquids that break the glass ceiling", Berthier, Ludovic; Charbonneau, Patrick; Coslovich, Daniele; Ninarello, Andrea; Ozawa, Misaki; Yaida, Sho, Proc. Natl. Acad. Sci. U.S.A, 2017. They include .dat, .m, .gp, .eps, .opj, and .xmg files to allow for the replication of the figures. Figures were generated using the following programs - MatLab R2016b, Gnuplot version 5.0, OriginPro 2015J (academic), or Grace-5.1.23. Liquids relax extremely slowly on approaching the glass state. One explanation is that an entropy crisis, because of the rarefaction of available states, makes it increasingly arduous to reach equilibrium in that regime. Validating this scenario is challenging, because experiments offer limited resolution, while numerical studies lag more than eight orders of magnitude behind experimentally relevant timescales. In this work, we not only close the colossal gap between experiments and simulations but manage to create in silico configurations that have no experimental analog yet. Deploying a range of computational tools, we obtain four estimates of their configurational entropy. These measurements consistently confirm that the steep entropy decrease observed in experiments is also found in simulations, even beyond the experimental glass transition. Our numerical results thus extend the observational window into the physics of glasses and reinforce the relevance of an entropy crisis for understanding their formation. Updated title and abstract from "Data and scripts from: Breaking the glass ceiling: Configurational entropy measurements in extremely supercooled liquids" on 2017-11-03.

Data Access

Duke Authors

Cited Authors

  • Charbonneau, P; Yaida, S

Published Date

  • September 19, 2017

Digital Object Identifier (DOI)

  • 10.7924/G8ZG6Q9T