Abstract
Many-body dissipative particle dynamics (MDPD) is a mesoscale method capable of reproducing liquid-vapor coexistence in a single simulation. Despite having been introduced more than a decade ago, this method remains broadly unexplored, and as a result, relatively unused for modeling of industrially important soft matter systems. In this work, we systematically investigate the structure and properties of an MDPD fluid. We show that, besides the liquid phase, the MDPD potential can also yield a gas phase and a thermodynamically stable solid phase with a bcc lattice, but lacking a proper stress-strain relation. For the liquid phase, we determine the dependence of density and surface tension on the interaction parameters, and devise a top-down parametrization protocol for real liquids.
1 More- Received 24 May 2018
DOI:https://doi.org/10.1103/PhysRevE.98.033310
©2018 American Physical Society