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@ARTICLE{Junghans:5135,
author = {Junghans, C. and Bachmann, M. and Janke, W.},
title = {{S}tatistical {M}echanics of {A}ggregation and
{C}rystallization for {S}emiflexible {P}olymers},
journal = {epl},
volume = {87},
issn = {0295-5075},
address = {Les Ulis},
publisher = {EDP Sciences},
reportid = {PreJuSER-5135},
pages = {40002},
year = {2009},
note = {This work is partially supported by the DFG (German Science
Foundation) under Grant No. JA 483/24-1/2/3, the Leipzig
Graduate School of Excellence "BuildMoNa", and by the Max
Planck Society. Support by a NIC supercomputer time grant
(No. hlz11) of the Forschungszentrum Julich is
acknowledged.},
abstract = {By means of multicanonical computer simulations, we
investigate thermodynamic properties of the aggregation of
interacting semiflexible polymers. We analyze a mesoscopic
bead-stick model, where nonbonded monomers interact via
Lennard-Jones forces. Aggregation turns out to be a process,
in which the constituents experience strong structural
fluctuations, similar to peptides in coupled folding-binding
cluster formation processes. In contrast to a recently
studied related proteinlike hydrophobic-polar heteropolymer
model, aggregation and crystallization are separate
processes for a homopolymer with the same small bending
rigidity. Rather stiff semiflexible polymers form a
liquid-crystal-like phase, as expected. In analogy to the
heteropolymer study, we find that the first-order-like
aggregation transition of the complexes is accompanied by
strong system-size-dependent hierarchical surface effects.
In consequence, the polymer aggregation is a
phase-separation process with entropy reduction. Copyright
(C) EPLA, 2009},
keywords = {J (WoSType)},
cin = {IAS-2 / IFF-2},
ddc = {530},
cid = {I:(DE-Juel1)IAS-2-20090406 / I:(DE-Juel1)VDB782},
pnm = {Kondensierte Materie},
pid = {G:(DE-Juel1)FUEK414},
shelfmark = {Physics, Multidisciplinary},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000270146400002},
doi = {10.1209/0295-5075/87/40002},
url = {https://juser.fz-juelich.de/record/5135},
}