From Molecular Dynamics to Dissipative Particle Dynamics
Eirik G. Flekkoy, Peter V. Coveney
Abstract
A procedure is introduced for deriving a coarse-grained dissipative particle dynamics from molecular dynamics. The rules of the dissipative particle dynamics are derived from the underlying molecular interactions, and a Langevin equation is obtained that describes the forces experienced by the dissipative particles and specifies the associated canonical Gibbs distribution for the system.
Create a lesson
Related papers
Nonparametric multiscale modeling of boundary lubrication: hexadecane in highly pressurized gold asperity contacts
Hannes Holey, Michael Moseler, Peter Gumbsch et al.
Asymmetric Ions in Solution are Similar to Active Brownian Particles
Setare Mostajabi Sarhangi, Dmitry V. Matyushov
Influence of twist direction and large deformation on soft material torsional contact
Yucai Hu, Pengfei Li, Michele Ciavarella et al.
Phase transitions and microphases in elastomers. II. Anisotropy-driven morphologies
Manu Mannattil, David Andelman, Haim Diamant
Comparing non-local granular fluid continuum models for silo discharge: Toward clogging prediction
Y. Zhou, Y. Wang, M. Li et al.
Residual semi-crystalline particles released during enzymatic degradation of plastics
Michael Schindler, Ludwik Leibler