67 citations · 118 across the 5 of their papers we have counts for
5 papers
Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-grained, and Slip-spring Simulations
Alireza F. Behbahani, Ludwig Schneider, Anastassia Rissanou +9
A hierarchical (triple scale) simulation methodology is presented for the prediction of the dynamical and rheological properties of high molecular weight entangled polymer melts. T…
Dynamical heterogeneities in non-entangled polystyrene and poly(ethylene oxide) star melts
Petra Bačová, Eirini Gkolfi, Laurence G. D. Hawke +1
Star polymers can exhibit a heterogeneous dynamical behavior due to their internal structure. In this work we employ atomistic molecular dynamics simulations to study translational…
Effect of Chain Stiffness on the Structure of Single-Chain Polymer Nanoparticles
Angel J. Moreno, Petra Bacova, Federica Lo Verso +3
Polymeric single-chain nanoparticles (SCNPs) are soft nano-objects synthesized by purely intramolecular cross-linking of single polymer chains. By means of computer simulations, we…
The Role of the Functionality in the Branch Point Motion in Symmetric Star Polymers: A Combined Study by Simulations and Neutron Spin Echo
S. Holler, A. J. Moreno, M. Zamponi +5
We investigate the effect of the number of arms (functionality f ) on the mobility of the branch point in symmetric star polymers. For this purpose we carry out large-scale molecul…
Cluster Glasses of Semiflexible Ring Polymers
Mohammed Zakaria Slimani, Petra Bacova, Marco Bernabei +3
We present computer simulations of concentrated solutions of unknotted nonconcatenated semiflexible ring polymers. Unlike in their flexible counterparts, shrinking involves a stron…