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| Hauptseite > Publikationsdatenbank > Correction of finite size effects in molecular dynamics applied to the friction coefficient of a Brownian particle > print |
| Hauptseite > Publikationsdatenbank > Correction of finite size effects in molecular dynamics applied to the friction coefficient of a Brownian particle > print |
| 001 | 24555 | ||
| 005 | 20180210143433.0 | ||
| 024 | 7 | _ | |2 DOI |a 10.1016/S0010-4655(02)00308-9 |
| 024 | 7 | _ | |2 WOS |a WOS:000177824600081 |
| 037 | _ | _ | |a PreJuSER-24555 |
| 041 | _ | _ | |a eng |
| 082 | _ | _ | |a 004 |
| 084 | _ | _ | |2 WoS |a Computer Science, Interdisciplinary Applications |
| 084 | _ | _ | |2 WoS |a Physics, Mathematical |
| 100 | 1 | _ | |a Sutmann, G. |b 0 |u FZJ |0 P:(DE-Juel1)132274 |
| 245 | _ | _ | |a Correction of finite size effects in molecular dynamics applied to the friction coefficient of a Brownian particle |
| 260 | _ | _ | |a Amsterdam |b North Holland Publ. Co. |c 2002 |
| 300 | _ | _ | |a 374 - 377 |
| 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 Computer Physics Communications |x 0010-4655 |0 1439 |v 147 |
| 500 | _ | _ | |a Record converted from VDB: 12.11.2012 |
| 520 | _ | _ | |a The friction coefficient of a fixed Brownian particle is calculated via an integration of the force-autocorrelation function obtained from molecular dynamics simulation. Due to finite size effects this correlation function decays exponentially to zero, which should not arise in the thermodynamic limit. An efficient way is proposed to overcome the limitation of a finite system and it is demonstrated that it is possible to reach a plateau value in the correlation function integral, which is very close to the friction coefficient determined by different methods. (C) 2002 Elsevier Science B.V. All rights reserved. |
| 536 | _ | _ | |a Methoden und Systeme der Informationstechnik |c I02 |2 G:(DE-HGF) |0 G:(DE-Juel1)FUEK253 |x 0 |
| 588 | _ | _ | |a Dataset connected to Web of Science |
| 650 | _ | 7 | |a J |2 WoSType |
| 653 | 2 | 0 | |2 Author |a molecular dynamics |
| 653 | 2 | 0 | |2 Author |a finite size effects |
| 653 | 2 | 0 | |2 Author |a friction coefficient |
| 653 | 2 | 0 | |2 Author |a stochastic thermostat |
| 653 | 2 | 0 | |2 Author |a distribution functions |
| 700 | 1 | _ | |a Steffen, B. |b 1 |u FZJ |0 P:(DE-Juel1)132269 |
| 773 | _ | _ | |a 10.1016/S0010-4655(02)00308-9 |g Vol. 147, p. 374 - 377 |p 374 - 377 |q 147<374 - 377 |0 PERI:(DE-600)1466511-6 |t Computer physics communications |v 147 |y 2002 |x 0010-4655 |
| 909 | C | O | |o oai:juser.fz-juelich.de:24555 |p VDB |
| 913 | 1 | _ | |k I02 |v Methoden und Systeme der Informationstechnik |l Informationstechnologie mit nanoelektronischen Systemen |b Information |0 G:(DE-Juel1)FUEK253 |x 0 |
| 914 | 1 | _ | |y 2002 |
| 915 | _ | _ | |0 StatID:(DE-HGF)0010 |a JCR/ISI refereed |
| 920 | 1 | _ | |k ZAM |l Zentralinstitut für Angewandte Mathematik |d 31.12.2007 |g ZAM |0 I:(DE-Juel1)VDB62 |x 0 |
| 970 | _ | _ | |a VDB:(DE-Juel1)15904 |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a ConvertedRecord |
| 980 | _ | _ | |a journal |
| 980 | _ | _ | |a I:(DE-Juel1)JSC-20090406 |
| 980 | _ | _ | |a UNRESTRICTED |
| 981 | _ | _ | |a I:(DE-Juel1)JSC-20090406 |
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