Open boundary molecular dynamics of sheared star-polymer melts

Author:

Sablić Jurij123,Praprotnik Matej12345,Delgado-Buscalioni Rafael678910

Affiliation:

1. Laboratory for Molecular Modeling

2. National Institute of Chemistry

3. SI-1001 Ljubljana, Slovenia

4. Department of Physics, Faculty of Mathematics and Physics, University of Ljubljana

5. SI-1000 Ljubljana, Slovenia

6. Departamento Física Teórica de la Materia Condensada

7. Universidad Autónoma de Madrid

8. Campus de Cantoblanco

9. E-28049 Madrid, Spain

10. Condensed Matter Physics Center

Abstract

Shearing polymer melts at constant normal pressure produces different rheology than shearing at a constant volume, as revealed by AdResS-enabled open boundary MD simulations of star polymer melts.

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Chemistry

Reference111 articles.

1. R. Larson and H.Brenner , Constitutive Equations for Polymer Melts and Solutions: Butterworths Series in Chemical Engineering , Elsevier Science , 2013

2. Tension thickening, molecular shape, and flow birefringence of an H-shaped polymer melt in steady shear and planar extension

3. Flow Effects on Melt Structure and Entanglement Network of Linear Polymers: Results from a Nonequilibrium Molecular Dynamics Simulation Study of a Polyethylene Melt in Steady Shear

4. M. Kröger , Models for Polymeric and Anisotropic Liquids , Springer , Berlin Heidelberg , 2005

5. Computer simulation of the rheology of concentrated star polymer suspensions

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