| Literature DB >> 23445033 |
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.Entities:
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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