Slip Spring-Based Mesoscopic Simulations of Polymer Networks: Methodology and the Corresponding Computational Code

In previous work by the authors, a new methodology was developed for Brownian dynamics/kinetic Monte Carlo (BD/kMC) simulations of polymer melts. In this study, this methodology is extended for dynamical simulations of crosslinked polymer networks in a coarse-grained representation, wherein chains a...

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Main Authors: Grigorios Megariotis, Georgios G. Vogiatzis, Aristotelis P. Sgouros, Doros N. Theodorou
Formato: Artigo
Idioma:Inglês
Publicado: MDPI AG 2018-10-01
Series:Polymers
Assuntos:
slip springs
crosslinked polymer networks
mesoscopic simulations
computational rheology
Brownian dynamics (BD)
kinetic Monte Carlo (kMC)
multiscale modeling
Acceso en liña:http://www.mdpi.com/2073-4360/10/10/1156
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