This title appears in the Scientific Report :
2013
Please use the identifier:
http://dx.doi.org/10.1063/1.4790615 in citations.
Please use the identifier: http://hdl.handle.net/2128/19024 in citations.
Effects of the interaction range on strucrural phases of flexible polymers
Effects of the interaction range on strucrural phases of flexible polymers
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...
Saved in:
Personal Name(s): | Gross, J. (Corresponding author) |
---|---|
Neuhaus, Thomas / Vogel, T. / Bachmann, M. | |
Contributing Institute: |
Jülich Supercomputing Center; JSC |
Published in: | The @journal of chemical physics: bridges a gap between journals of physics and journals of chemistry, 138 (2013) 7, S. 074905 |
Imprint: |
Melville, NY
American Institute of Physics
2013
|
DOI: |
10.1063/1.4790615 |
Document Type: |
Journal Article |
Research Program: |
Computational Science and Mathematical Methods |
Link: |
OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/19024 in citations.
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. |