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@ARTICLE{Neuhaus:59369,
      author       = {Neuhaus, T. and Zimmermann, O. and Hansmann, U. H. E.},
      title        = {{R}ing polymer simulations with global radius of curvature},
      journal      = {Physical review / E},
      volume       = {75},
      number       = {5},
      issn         = {1539-3755},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-59369},
      pages        = {051803},
      year         = {2007},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {We simulate three-dimensional flexible off-lattice ring
                      polymers of length L up to L=4000 for various values of the
                      global radius of curvature R-grc=0.25, 0.48, and 1.0 and
                      R-grc=2.0. We utilize two different ensembles: one with a
                      delta-function constraint on the radius, and the other with
                      a theta-function. For both cases the global radius of
                      curvature provides a valid regularization of polymers with
                      thickness D=2R(grc). The Flory-type critical exponent
                      nu(SAW) of self-avoiding rings at D=2 is found to be
                      nu(SAW)=0.5869(5) from the radii of gyration chain length
                      scaling, while other D values produce consistent results.
                      For our current implementation, the numerical effort of
                      chain thickness calculations is bounded by a number O (L ln
                      L) per single update. We also study low-temperature
                      configurations of spatially dense Lennard-Jones homopolymers
                      on a ring and identify some conformational building blocks.},
      keywords     = {J (WoSType)},
      cin          = {NIC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)NIC-20090406},
      pnm          = {Scientific Computing},
      pid          = {G:(DE-Juel1)FUEK411},
      shelfmark    = {Physics, Fluids $\&$ Plasmas / Physics, Mathematical},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000246890100085},
      doi          = {10.1103/PhysRevE.75.051803},
      url          = {https://juser.fz-juelich.de/record/59369},
}