Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations-Reference-Cited by-同舟云学术

Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations

Published:2021-02-16 Issue:6 Volume:54 Page:2740-2762
ISSN:0024-9297
Container-title:Macromolecules
language:en
Short-container-title:Macromolecules

Author:

Behbahani Alireza F.¹^ORCID,Schneider Ludwig²^ORCID,Rissanou Anastassia¹^ORCID,Chazirakis Anthony¹,Bačová Petra¹,Jana Pritam Kumar²,Li Wei³,Doxastakis Manolis³^ORCID,Polińska Patrycja⁴,Burkhart Craig⁵,Müller Marcus²^ORCID,Harmandaris Vagelis A.¹⁶⁷^ORCID

Affiliation:

1. Institute of Applied and Computational Mathematics, Foundation for Research and Technology-Hellas, Heraklion GR-71110, Greece

2. Institute for Theoretical Physics, Georg-August University Göttingen, Goettingen 37077, Germany

3. Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee 37996, United States

4. Goodyear S.A., Avenue Gordon Smith, Colmar-Berg L-7750, Luxembourg

5. The Goodyear Tire and Rubber Company, 142 Goodyear Blvd., Akron, Ohio 44305, United States

6. Department of Mathematics and Applied Mathematics, University of Crete, Heraklion GR-71110, Greece

7. Computation-based Science and Technology Research Center, The Cyprus Institute, Nicosia 2121, Cyprus

Funder

Horizon 2020 Framework Programme

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Inorganic Chemistry,Polymers and Plastics,Organic Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.macromol.0c02583

Reference78 articles.

1. Simulation of polymer melts. I. Coarse-graining procedure for polycarbonates

2. Hierarchical modelling of polymeric materials

3. Systematic coarse-graining of the dynamics of entangled polymer melts: the road from chemistry to rheology

4. Hierarchical Modeling of Polystyrene: From Atomistic to Coarse-Grained Simulations

5. Modeling Entangled Dynamics: Comparison between Stochastic Single-Chain and Multichain Models

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