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Concurrent coupling between a particle simulation and a continuum description

  • M. MüllerEmail author
Article

Abstract

We introduce a numerical scheme that concurrently couples a particle simulation of a multi-component polymer melt to a continuum description. We use a soft, coarse-grained model in the particle simulation and a time-dependent Ginzburg-Landau approach for the continuum description. The coupling between the particle coordinates and the order-parameter field, m, allows us to estimate the parameters the free-energy functional, \({\cal F}_{\rm GL}[m]\), of the Ginzburg-Landau approach and it makes the particle model follow the time-evolution of the order-parameter field. The algorithm exploits the time-scale separation between the fast kinetics of the order-parameter field and the slow temporal variations of the parameters of the free-energy functional. A detailed analysis is presented for the spinodal decomposition of a binary polymer blend based on the Random-Phase Approximation and Monte-Carlo simulations.

Keywords

European Physical Journal Special Topic Particle Model Particle Simulation Continuum Description Binary Polymer 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© EDP Sciences and Springer 2009

Authors and Affiliations

  1. 1.Institut für Theoretische Physik, Georg-August-UniversitätGöttingenGermany

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