activity
20162025
most citedKremer-Grest models for commodity polymer melts: Linking theory, experiment and simulation at the Kuhn scale

216 citations · 322 across the 8 of their papers we have counts for

collaborators

8 papers

cond-mat.soft2025

Active Learning for Predicting Polymer/Plasticizer Phase Behaviour

Lois Smith, Jessica Steele, Hossein Ali Karimi-Varzaneh +1

Plasticisers (PLs) are small additives commonly incorporated into polymer composites to enhance processability and improve mechanical properties. Their effectiveness depends heavil…

physics.app-ph2024★ 5 cited

Cavity Formation in Silica-Filled Rubber Compounds Observed During Deformation by Ultra Small-Angle X-Ray Scattering

Ilya Yakovlev, Michael Sztucki, Frank Fleck +4

When silica-filled rubber compounds are deformed, structural modifications in the material's bulk lead to irreversible damage, the most significant of which is cavitation appearing…

cond-mat.soft2024

A Framework for a High Throughput Screening Method to Assess Polymer/Plasticizer Miscibility

Lois Smith, H. Ali Karimi-Varzaneh, Sebastian Finger +3

Polymer composite materials require softening to reduce their glass transition temperature and improve processability. To this end, plasticizers, which are small organic molecules,…

cond-mat.soft2022★ 5 cited

Piezo-Electric Shear Rheometry: Further developments in experimental implementation and data extraction

Mathias Mikkelsen, Kira L. Eliasen, Niclas Lindemann +8

The Piezo-electric Shear Gauge (PSG) [Christensen & Olsen, Rev. Sci. Instrum. 66, 5019, 1995] is a rheometric technique developed to measure the complex shear modulus of viscous li…

cond-mat.soft2020★ 46 cited

Computational study of the cross-link and the entanglement contributions to the elastic properties of model PDMS networks

Igor A. Gula, Hossein Ali Karimi-Varzaneh, Carsten Svaneborg

We built randomly cross-linked model PDMS networks and used Molecular Dynamics Methods to obtain stress-strain curves. Mooney-Rivlin (MR) analysis was used to estimate the shear mo…

cond-mat.soft2018★ 216 cited

Kremer-Grest models for commodity polymer melts: Linking theory, experiment and simulation at the Kuhn scale

Ralf Everaers, Hossein Ali Karimi-Varzaneh, Nils Hojdis +2

The Kremer-Grest (KG) polymer model is a standard model for studying generic polymer properties in Molecular Dynamics simulations. It owes its popularity to its simplicity and comp…

cond-mat.soft2016★ 40 cited

Multiscale approach to equilibrating model polymer melts

Carsten Svaneborg, Hossein Ali Karimi-Varzaneh, Nils Hojdis +2

We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt…

cond-mat.soft2016★ 10 cited

Kremer-Grest models for universal properties of specific common polymer species

Carsten Svaneborg, Hossein Ali Karimi-Varzaneh, Nils Hojdis +2

The Kremer-Grest (KG) bead-spring model is a near standard in Molecular Dynamic simulations of generic polymer properties. It owes its popularity to its computational efficiency, r…