Dissipative particle dynamics: A useful thermostat for equilibrium and nonequilibrium molecular dynamics simulations
Year: 2003
Type: article
Abstract: We discuss dissipative particle dynamics as a thermostat to molecular dynamics, and highlight some of its virtues: (i) universal applicability irrespective of the interatomic potential; (ii) correct and unscreened reproduction of hydrodynamic correlations; (iii) stabilization of the numerical integration of the equations of motion; and (iv) the avoidance of a profile bias in boundary-driven nonequilibrium simulations of shear flow. Numerical results on a repulsive Lennard-Jones fluid illustrate our arguments.
Authors: Thomas Soddemann, Burkhard Dünweg, Kurt Kremer
Institution: Max Planck Institute for Polymer Research
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2170030737