105 citations · 362 across the 5 of their papers we have counts for
5 papers
Equation of State Based Slip Spring Model for Entangled Polymer Dynamics
Georgios G. Vogiatzis, Grigorios Megariotis, Doros N. Theodorou
A mesoscopic, mixed particle- and field-based Brownian dynamics methodology for the simulation of entangled polymer melts has been developed. Polymeric beads consist of several Kuh…
Self-Consistent-Field Study of Adsorption and Desorption Kinetics of Polyethylene Melts on Graphite and Comparison with Atomistic Simulations
Doros N. Theodorou, Georgios G. Vogiatzis, Georgios Kritikos
A method is formulated, based on combining self-consistent field theory with dynamically corrected transition state theory, for estimating the rates of adsorption and desorption of…
Local Segmental Dynamics and Stresses in Polystyrene - C Mixtures
Georgios G. Vogiatzis, Doros N. Theodorou
The polymer dynamics of homogeneous C-polystyrene mixtures in the molten state are studied via molecular simulations using two interconnected levels of representation for po…
Structure of polymer layers grafted to nanoparticles in silica-polystyrene nanocomposites
Georgios G. Vogiatzis, Doros N. Theodorou
The structural features of polystyrene brushes grafted on spherical silica nanoparticles immersed in polystyrene are investigated by means of a Monte Carlo methodology based on pol…
Monte Carlo simulations of a coarse grained model for an athermal all-polystyrene nanocomposite system
Georgios G. Vogiatzis, Evangelos Voyiatzis, Doros N. Theodorou
The structure of a polystyrene matrix filled with tightly cross-linked polystyrene nanoparticles, forming an athermal nanocomposite system, is investigated by means of a Monte Carl…