Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution-Reference-Cited by-同舟云学术

Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution

Published:2019 Issue:2 Volume:15 Page:289-302
ISSN:1744-683X
Container-title:Soft Matter
language:en
Short-container-title:Soft Matter

Author:

Zhang Guojie¹²³⁴⁵^ORCID,Chazirakis Anthony⁶⁷⁸⁹¹⁰,Harmandaris Vagelis A.⁶⁷⁸⁹¹⁰^ORCID,Stuehn Torsten¹¹¹²¹³,Daoulas Kostas Ch.¹¹¹²¹³^ORCID,Kremer Kurt¹¹¹²¹³^ORCID

Affiliation:

1. Institute for Systems Rheology

2. Advanced Institute of Engineering Science for Intelligent Manufacturing

3. Guangzhou University

4. 510006 Guangzhou

5. China

6. Department of Mathematics and Applied Mathematics

7. University of Crete

8. GR-71409 Heraklion

9. Greece

10. Institute of Applied and Computational Mathematics

11. Max Planck Institute for Polymer Research

12. 55128 Mainz

13. Germany

Abstract

A hierarchical backmapping simulation method, involving models with three different resolutions, is developed to equilibrate large atomistically-resolved samples of long polystyrene melts.

Funder

H2020 European Research Council

Seventh Framework Programme

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/SM/C8SM01830H

Reference88 articles.

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