Journal Article

FZJ-2013-00082

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Effects of the interaction range on strucrural phases of flexible polymers

Gross, J. (Corresponding author) ; Neuhaus, T.FZJ* ; Vogel, T. ; Bachmann, M.

2013
American Institute of Physics Melville, NY

This record in other databases:  

Please use a persistent id in citations: http://hdl.handle.net/2128/19024  doi:10.1063/1.4790615

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.

---

Contributing Institute(s):

1. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 411 - Computational Science and Mathematical Methods (POF2-411) (POF2-411)

Appears in the scientific report 2013

---

Database coverage:
; ; Allianz-Lizenz / DFG ; Current Contents - Social and Behavioral Sciences ; JCR ; NCBI Molecular Biology Database ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

---