Literature DB >> 23445033

Effects of the interaction range on structural phases of flexible polymers.

J Gross1, T Neuhaus, T Vogel, M Bachmann.   

Abstract

We systematically investigate how the range of interaction between non-bonded monomers influences the formation of structural phases of elastic, flexible polymers. Massively parallel replica-exchange simulations of a generic, coarse-grained model, performed partly on graphics processing units and in multiple-gaussian modified ensembles, pave the way for the construction of the structural phase diagram, parametrized by interaction range and temperature. Conformational transitions between gas-like, liquid, and diverse solid (pseudo) phases are identified by microcanonical statistical inflection-point analysis. We find evidence for finite-size effects that cause the crossover of "collapse" and "freezing" transitions for very short interaction ranges.

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Year:  2013        PMID: 23445033     DOI: 10.1063/1.4790615

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


  3 in total

1.  Thermodynamic and conformational insights into the phase transition of a single flexible homopolymer chain using replica exchange Monte Carlo method.

Authors:  Lei Wang; Ningning Li; Shiyan Xiao; Haojun Liang
Journal:  J Mol Model       Date:  2014-06-25       Impact factor: 1.810

2.  Examining the phase transition behavior of amphiphilic lipids in solution using statistical temperature molecular dynamics and replica-exchange Wang-Landau methods.

Authors:  Lili Gai; Thomas Vogel; Katie A Maerzke; Christopher R Iacovella; David P Landau; Peter T Cummings; Clare McCabe
Journal:  J Chem Phys       Date:  2013-08-07       Impact factor: 3.488

3.  Crystal, Fivefold and Glass Formation in Clusters of Polymers Interacting with the Square Well Potential.

Authors:  Miguel Herranz; Manuel Santiago; Katerina Foteinopoulou; Nikos Ch Karayiannis; Manuel Laso
Journal:  Polymers (Basel)       Date:  2020-05-13       Impact factor: 4.329

  3 in total

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