First-principles prediction of multiple stationary states in glass-forming liquids.

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 T, 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.