abstract

• In the present work, the Non-Equilibrium Self-Consistent Generalized Langevin Equation (NESCGLE) theory is used to predict the final state of glass-forming liquids subjected to different cooling processes. We show that the NESCGLE theory correctly describes two essential features of the glass transition. Such features are the structural recovery and the dependence of the final state with the cooling rate. We demonstrate that below a particular temperature Tc, the system is unable to equilibrate, independently of the cooling rate. We show that the equilibrium state is only reached for the quasistatic process. Additionally, we show how, from the NESCGLE theory, it is possible to deduce a relaxation model of structural recovery, for which we obtain molecular expressions of the parameters. © 2019 Author(s).

authors

• Lira-Escobedo J.
• Mendoza-Méndez P.
• Ramírez González Pedro Ezequiel
• Varela-Varela D.

publication date

• 2019-01-01

funding provided via

• Consejo Nacional de Ciencia y Tecnología, CONACYT: 1631, 257636, CB-2015-01  Grant

published in

• Journal of Chemical Physics  Journal

keywords

• Cooling; Differential equations; Glass; Liquids; Equilibrium state; Essential features; First principles; Generalized Langevin equation; Glass-forming liquid; Quasistatic process; Relaxation models; Stationary state; Glass transition

Digital Object Identifier (DOI)

• 10.1063/1.5131350

PubMed ID

• 31864266

start page

end page

volume

• 151

issue

• 23