Hierarchical modeling of polystyrene: From atomistic to coarse-grained simulations

By V. Harmandaris, N. Adhikari, N. V. D. Vegt, Kurt Kremer. 2006

331 citations recorded by the source corpus.

Subfields: Fluid Flow and Transfer Processes, Materials Chemistry, Polymers and Plastics

View Paper: https://www.semanticscholar.org/paper/ea6b64c3c49aa797018688ee68dbbd3998500e2d

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Fluid Flow and Transfer Processes

1. Wing Kam Liu
2. Ying Li
3. Brendan C. Abberton
4. Martin Kröger
5. Nils W. Hojdis
6. H. A. Karimi‐Varzaneh
7. Carsten Svaneborg
8. Ralf Everaers

In Materials Chemistry

1. Ying Li
2. Brendan C. Abberton
3. Wing Kam Liu
4. Martin Kröger
5. Nils W. Hojdis
6. H. A. Karimi‐Varzaneh
7. Carsten Svaneborg
8. Ralf Everaers

In Polymers and Plastics

1. Wing Kam Liu
2. Ying Li
3. Brendan C. Abberton
4. Nils W. Hojdis
5. H. A. Karimi‐Varzaneh
6. Martin Kröger
7. Carsten Svaneborg
8. Ralf Everaers

Citations in the corpus

• Challenges in Multiscale Modeling of Polymer Dynamics (2013, methodology): “The derived model can represent the PS sequence with varying tacticities and has been validated for the structural and dynamic properties of atactic PS [188,201].”
• Kremer–Grest Models for Commodity Polymer Melts: Linking Theory, Experiment, and Simulation at the Kuhn Scale (2018, background): “om the time dependent shear relaxation modulus one can obtain the shear compliance and the melt viscosity. The asymptotically expected result6 for long entangled chains is given by η = π2 15 Geτmax . (20) 3 Matching at the Kuhn scale In Sec. 2 we have identified three relevant length scales: the pack”