Combined Molecular Algorithms for the Generation, Equilibration and Topological Analysis of Entangled Polymers: Methodology and Performance

Combined Molecular Algorithms for the Generation, Equilibration and Topological Analysis of Entangled Polymers: Methodology and Performance

We review the methodology, algorithmic implementation and performance characteristics of a hierarchical modeling scheme for the generation, equilibration and topological analysis of polymer systems at various levels of molecular description: from atomistic polyethylene samples to random packings of...

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Bibliographic Details
Main Authors: Nikos Ch. Karayiannis, Martin Kröger
Format: Article
Language:English
Published: MDPI AG 2009-11-01
Series:International Journal of Molecular Sciences
Subjects:
polymer
simulation
Monte Carlo
primitive path
knot
entanglement
random packing
hard-sphere
melt
system size effect
polydispersity
Online Access:http://www.mdpi.com/1422-0067/10/11/5054/

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http://www.mdpi.com/1422-0067/10/11/5054/

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