Literature DB >> 27802612

Computer simulations of melts of randomly branching polymers.

Angelo Rosa1, Ralf Everaers2.   

Abstract

Randomly branching polymers with annealed connectivity are model systems for ring polymers and chromosomes. In this context, the branched structure represents transient folding induced by topological constraints. Here we present computer simulations of melts of annealed randomly branching polymers of 3 ≤ N ≤ 1800 segments in d = 2 and d = 3 dimensions. In all cases, we perform a detailed analysis of the observed tree connectivities and spatial conformations. Our results are in excellent agreement with an asymptotic scaling of the average tree size of R ∼ N1/d, suggesting that the trees behave as compact, territorial fractals. The observed swelling relative to the size of ideal trees, R ∼ N1/4, demonstrates that excluded volume interactions are only partially screened in melts of annealed trees. Overall, our results are in good qualitative agreement with the predictions of Flory theory. In particular, we find that the trees swell by the combination of modified branching and path stretching. However, the former effect is subdominant and difficult to detect in d = 3 dimensions.

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Year:  2016        PMID: 27802612     DOI: 10.1063/1.4965827

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  3 in total

1.  Flory theory of randomly branched polymers.

Authors:  Ralf Everaers; Alexander Y Grosberg; Michael Rubinstein; Angelo Rosa
Journal:  Soft Matter       Date:  2017-02-08       Impact factor: 3.679

2.  Influence of network defects on the conformational structure of nanogel particles: From "closed compact" to "open fractal" nanogel particles.

Authors:  Alexandros Chremos; Ferenc Horkay; Jack F Douglas
Journal:  J Chem Phys       Date:  2022-03-07       Impact factor: 3.488

3.  The Physical Behavior of Interphase Chromosomes: Polymer Theory and Coarse-Grain Computer Simulations.

Authors:  Angelo Rosa
Journal:  Methods Mol Biol       Date:  2022
  3 in total

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