Dynamic phase transition induced by active molecules in a supercooled liquid

Phys Rev E. 2023 Aug;108(2-1):024605. doi: 10.1103/PhysRevE.108.024605.

Abstract

The purpose of this work is to use active particles to investigate the effect of facilitation on supercooled liquids. To this end we examine the behavior of a model supercooled liquid that is doped with a mixture of active particles and slowed particles. To simulate the facilitation mechanism, the activated particles are subjected to a force that follows the mobility of their most mobile neighboring molecule, while the slowed particles experience a friction force. Upon activation, we observe a fluidization of the entire medium along with a significant increase in dynamic heterogeneity. This effect is reminiscent of the fluidization observed experimentally when introducing molecular motors into soft materials. Interestingly, when the characteristic time τ_{μ}, used to define the mobility in the facilitation mechanism, matches the physical time t^{*} that characterizes the spontaneous cooperativity of the material, we observe a phase transition accompanied by structural aggregation of the active molecules. This transition is characterized by a sharp increase in fluidization and dynamic heterogeneity.