Liouville-type equations for the n-particle distribution functions of an open system
From MaRDI portal
Publication:5141017
Abstract: In this work we derive a mathematical model for an open system that exchanges particles and momentum with a reservoir from their joint Hamiltonian dynamics. The complexity of this many-particle problem is addressed by introducing a countable set of n-particle phase space distribution functions just for the open subsystem, while accounting for the reservoir only in terms of statistical expectations. From the Liouville equation for the full system we derive a set of coupled Liouville-type equations for the n-particle distributions by marginalization with respect to reservoir states. The resulting equation hierarchy describes the external momentum forcing of the open system by the reservoir across its boundaries, and it covers the effects of particle exchanges, which induce probability transfers between the n- and (n+1)-particle distributions. Similarities and differences with the Bergmann-Lebowitz model of open systems (P.G.Bergmann, J.L. Lebowitz, Phys.Rev., 99:578--587 (1955)) are discussed in the context of the implementation of these guiding principles in a computational scheme for molecular simulations.
Recommendations
- Liouville's equations for random systems
- Derivation of Liouville-like equations for the n-state probability density of an open system with thermalized particle reservoirs and its link to molecular simulation
- A derivation of the Liouville equation for hard particle dynamics with non-conservative interactions
- scientific article; zbMATH DE number 1569276
- Langevin equation for the density of a system of interacting Langevin processes
- Some aspects of the Liouville equation in mathematical physics and statistical mechanics
- On one form of equations chains for equilibrium many--particle distribution functions
- On the derivation of an N-particle analogue of the Fokker-Planck equation
- Liouville systems of mean field equations
- On the basis of statistical mechanics. The Liouville equation for systems with an infinite countable number of degrees of freedom
Cites work
- Grand canonical adaptive resolution simulation for molecules with electrons: a theoretical framework based on physical consistency
- scientific article; zbMATH DE number 3103308 (Why is no real title available?)
- Irreversible Gibbsian ensembles
- Molecular systems with open boundaries: theory and simulation
- New Approach to Nonequilibrium Processes
- Numerical approximation of hyperbolic systems of conservation laws
- Statistical mechanics: theory and molecular simulation.
Cited in
(7)- A probabilistic framework for particle-based reaction-diffusion dynamics using classical Fock space representations
- A derivation of the Liouville equation for hard particle dynamics with non-conservative interactions
- Coupling particle-based reaction-diffusion simulations with reservoirs mediated by reaction-diffusion PDEs
- Derivation of Liouville-like equations for the n-state probability density of an open system with thermalized particle reservoirs and its link to molecular simulation
- Chemical diffusion master equation: Formulations of reaction–diffusion processes on the molecular level
- An effective Hamiltonian for the simulation of open quantum molecular systems
- Dynamics of systems with varying number of particles: from Liouville equations to general master equations for open systems
This page was built for publication: Liouville-type equations for the n-particle distribution functions of an open system
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q5141017)
