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| Hauptseite > Publikationsdatenbank > Ring polymer simulations with global radius of curvature > print |
| Hauptseite > Publikationsdatenbank > Ring polymer simulations with global radius of curvature > print |
| 001 | 59369 | ||
| 005 | 20230217124349.0 | ||
| 024 | 7 | _ | |a 10.1103/PhysRevE.75.051803 |2 DOI |
| 024 | 7 | _ | |a WOS:000246890100085 |2 WOS |
| 024 | 7 | _ | |a 2128/9234 |2 Handle |
| 037 | _ | _ | |a PreJuSER-59369 |
| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 530 |
| 084 | _ | _ | |2 WoS |a Physics, Fluids & Plasmas |
| 084 | _ | _ | |2 WoS |a Physics, Mathematical |
| 100 | 1 | _ | |a Neuhaus, T. |b 0 |u FZJ |0 P:(DE-Juel1)132210 |
| 245 | _ | _ | |a Ring polymer simulations with global radius of curvature |
| 260 | _ | _ | |a College Park, Md. |b APS |c 2007 |
| 264 | _ | 1 | |3 online |2 Crossref |b American Physical Society (APS) |c 2007-05-23 |
| 264 | _ | 1 | |3 print |2 Crossref |b American Physical Society (APS) |c 2007-05-01 |
| 300 | _ | _ | |a 051803 |
| 336 | 7 | _ | |a Journal Article |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a Output Types/Journal article |2 DataCite |
| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 336 | 7 | _ | |a ARTICLE |2 BibTeX |
| 336 | 7 | _ | |a JOURNAL_ARTICLE |2 ORCID |
| 336 | 7 | _ | |a article |2 DRIVER |
| 440 | _ | 0 | |a Physical Review E |x 1539-3755 |0 4924 |v 75 |
| 500 | _ | _ | |a Record converted from VDB: 12.11.2012 |
| 520 | _ | _ | |a 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. |
| 536 | _ | _ | |a Scientific Computing |c P41 |2 G:(DE-HGF) |0 G:(DE-Juel1)FUEK411 |x 0 |
| 542 | _ | _ | |i 2007-05-23 |2 Crossref |u http://link.aps.org/licenses/aps-default-license |
| 588 | _ | _ | |a Dataset connected to Web of Science |
| 650 | _ | 7 | |a J |2 WoSType |
| 700 | 1 | _ | |a Zimmermann, O. |b 1 |u FZJ |0 P:(DE-Juel1)132307 |
| 700 | 1 | _ | |a Hansmann, U. H. E. |b 2 |u FZJ |0 P:(DE-Juel1)VDB46160 |
| 773 | 1 | 8 | |a 10.1103/physreve.75.051803 |b American Physical Society (APS) |d 2007-05-23 |n 5 |p 051803 |3 journal-article |2 Crossref |t Physical Review E |v 75 |y 2007 |x 1539-3755 |
| 773 | _ | _ | |a 10.1103/PhysRevE.75.051803 |g Vol. 75, p. 051803 |p 051803 |n 5 |q 75<051803 |0 PERI:(DE-600)2844562-4 |t Physical review / E |v 75 |y 2007 |x 1539-3755 |
| 856 | 7 | _ | |u http://dx.doi.org/10.1103/PhysRevE.75.051803 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/59369/files/PhysRevE.75.051803.pdf |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/59369/files/PhysRevE.75.051803.gif?subformat=icon |x icon |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/59369/files/PhysRevE.75.051803.jpg?subformat=icon-180 |x icon-180 |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/59369/files/PhysRevE.75.051803.jpg?subformat=icon-700 |x icon-700 |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/59369/files/PhysRevE.75.051803.pdf?subformat=pdfa |x pdfa |y OpenAccess |
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| 913 | 1 | _ | |k P41 |v Scientific Computing |l Supercomputing |b Schlüsseltechnologien |0 G:(DE-Juel1)FUEK411 |x 0 |
| 914 | 1 | _ | |y 2007 |
| 915 | _ | _ | |a JCR/ISI refereed |0 StatID:(DE-HGF)0010 |
| 915 | _ | _ | |a OpenAccess |0 StatID:(DE-HGF)0510 |2 StatID |
| 915 | _ | _ | |a American Physical Society Transfer of Copyright Agreement |0 LIC:(DE-HGF)APS-112012 |2 HGFVOC |
| 920 | 1 | _ | |k NIC |l John von Neumann - Institut für Computing |g NIC |0 I:(DE-Juel1)NIC-20090406 |x 0 |
| 970 | _ | _ | |a VDB:(DE-Juel1)93399 |
| 980 | _ | _ | |a VDB |
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| 980 | _ | _ | |a journal |
| 980 | _ | _ | |a I:(DE-Juel1)NIC-20090406 |
| 980 | _ | _ | |a UNRESTRICTED |
| 980 | 1 | _ | |a FullTexts |
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