首页|A stochastic Hamiltonian formulation applied to dissipative particle dynamics
A stochastic Hamiltonian formulation applied to dissipative particle dynamics
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NSTL
Elsevier
In this paper, a stochastic Hamiltonian formulation (SHF) is proposed and applied to dis-sipative particle dynamics (DPD) simulations. As an extension of Hamiltonian dynamics to stochastic dissipative systems, the SHF provides necessary foundations and great con-venience for constructing efficient numerical integrators. As a first attempt, we develop the Stormer-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.(c) 2022 Elsevier Inc. All rights reserved.
NSTL
Elsevier
