From predicting to learning dissipation from pair correlations of active liquids

in Journal of Chemical Physics (2022)

Active systems, which are driven out of equilibrium by local non-conservative forces, can adopt unique behaviors and configurations. An important challenge in the design of novel materials, which utilize ... [more ▼]

Active systems, which are driven out of equilibrium by local non-conservative forces, can adopt unique behaviors and configurations. An important challenge in the design of novel materials, which utilize such properties, is to precisely connect the static structure of active systems to the dissipation of energy induced by the local driving. Here, we use tools from liquid-state theories and machine learning to take on this challenge. We first analytically demonstrate for an isotropic active matter system that dissipation and pair correlations are closely related when driving forces behave like an active temperature. We then extend a nonequilibrium mean-field framework for predicting these pair correlations, which unlike most existing approaches is applicable even for strongly interacting particles and far from equilibrium, to predicting dissipation in these systems. Based on this theory, we reveal a robust analytic relation between dissipation and structure, which holds even as the system approaches a nonequilibrium phase transition. Finally, we construct a neural network that maps static configurations of particles to their dissipation rate without any prior knowledge of the underlying dynamics. Our results open novel perspectives on the interplay between dissipation and organization out of equilibrium. [less ▲]