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000005135 084__ $$2WoS$$aPhysics, Multidisciplinary
000005135 1001_ $$0P:(DE-Juel1)VDB64916$$aJunghans, C.$$b0$$uFZJ
000005135 245__ $$aStatistical Mechanics of Aggregation and Crystallization for Semiflexible Polymers
000005135 260__ $$aLes Ulis$$bEDP Sciences$$c2009
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000005135 440_0 $$01996$$aEurophysics Letters$$v87$$x0295-5075
000005135 500__ $$aThis work is partially supported by the DFG (German Science Foundation) under Grant No. JA 483/24-1/2/3, the Leipzig Graduate School of Excellence "BuildMoNa", and by the Max Planck Society. Support by a NIC supercomputer time grant (No. hlz11) of the Forschungszentrum Julich is acknowledged.
000005135 520__ $$aBy 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
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000005135 7001_ $$0P:(DE-Juel1)VDB86028$$aBachmann, M.$$b1$$uFZJ
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000005135 8567_ $$uhttp://dx.doi.org/10.1209/0295-5075/87/40002
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