A stochastic Hamiltonian formulation applied to dissipative particle dynamics

03/23/2022
by   Linyu Peng, et al.
0

In this paper, a stochastic Hamiltonian formulation (SHF) is proposed and applied to dissipative particle dynamics (DPD) simulations. As an extension of Hamiltonian dynamics to stochastic dissipative systems, the SHF provides necessary foundations and great convenience for constructing efficient numerical integrators. As a first attempt, we develop the Störmer–Verlet type of schemes based on the SHF, which are structure-preserving for deterministic Hamiltonian systems without external forces, the dissipative forces in DPD. Long-time behaviour of the schemes is shown numerically by studying the damped Kubo oscillator. In particular, the proposed schemes include the conventional Groot-Warren's modified velocity-Verlet method and a modified version of Gibson-Chen-Chynoweth as special cases. The schemes are applied to DPD simulations and analysed numerically.

READ FULL TEXT

page 1

page 2

page 3

page 4

research
10/28/2022

Convergence of Hamiltonian Particle methods for Vlasov–Poisson equations with a nonhomogeneous magnetic field

In this paper, we study the error analysis of Hamiltonian particle metho...
research
06/08/2020

Structure-preserving discretization of port-Hamiltonian plate models

Methods for discretizing port-Hamiltonian systems are of interest both f...
research
07/05/2019

Stochastic modified equations for symplectic methods applied to rough Hamiltonian systems based on the Wong--Zakai approximation

We investigate the stochastic modified equation which plays an important...
research
02/21/2020

Geometric Particle-in-Cell Simulations of the Vlasov–Maxwell System in Curvilinear Coordinates

Numerical schemes that preserve the structure of the kinetic equations c...
research
12/10/2021

Deterministic particle flows for constraining stochastic nonlinear systems

Devising optimal interventions for constraining stochastic systems is a ...
research
12/02/2019

A general symplectic integrator for canonical Hamiltonian systems

The focus of this paper is to recommend a novel symplectic scheme for ca...
research
01/11/2022

Backward error analysis for conjugate symplectic methods

The numerical solution of an ordinary differential equation can be inter...

Please sign up or login with your details

Forgot password? Click here to reset