Nonequilibrium Processes in Non-Hamiltonian Statistical Ensembles

TL;DR

This paper develops a nonequilibrium statistical operator method for non-Hamiltonian particle ensembles, highlighting the effects of phase space compressibility on dynamic quantities and transport equations, with applications in molecular dynamics and quantum-classical dynamics.

Contribution

It introduces a novel statistical operator framework for non-Hamiltonian systems, incorporating phase space compressibility into transport equations.

Findings

Phase space compressibility significantly affects dynamic quantities.

Generalized transport equations explicitly include phase-space compressibility.

Method applicable to molecular dynamics and quantum-classical approximations.

Abstract

A nonequilibrium statistical operator method is developed for ensembles of particles obeying non-Hamiltonian equations of motion in classical phase space. The main consequences of non-zero compressibility of phase space are examined in terms of time-dependent dynamic quantities. The generalized transport equations involve the phase-space compressibility in a non-trivial way. Our results are useful in molecular dynamics simulation studies as well as nonequilibrium or quasiclassical approximations of quantum-classical dynamics.