Nonequilibrium statistical thermodynamics of a small quantum system coupled to quantum reservoirs

Abstract

A statistical mechanical formulation where nonequilibrium averages of selected quantum observables are given exactly as averages over local density operators is used to describe the dynamics and thermodynamics of a small quantum system coupled to reservoirs. The local density operators are functionals of constraint variables that play the role of thermodynamic forces that satisfy a set of equations of motion. A focus of the work is on the evolution of the average internal energy of the quantum subsystem that may be subject to external autonomous driving that does work on the system, and on entropy production in the system. The nonequilibrium statistical thermodynamics the quantum subsystem coupled to reservoirs, as well as that for the isolated subsystem and reservoirs, are discussed. When the subsystem is coupled to large quantum reservoirs, the effects of the quantum subsystem on the reservoirs can be captured through boundary conditions on the reservoir equations, and these boundary conditions are derived. The formulation is illustrated by considering the heat transfer through a system comprising a quantum system coupled to two heat reservoirs with different temperatures.