A global-update simulation method for polymer systems
We describe a hybrid Monte Carlo algorithm, combining molecular dynamics with the Monte Carlo method, applied to the simulation of polymer systems. It is shown that observables are independent of the discretization error, and the performance, i.e., autocorrelation times of observables, is analyzed....
Gespeichert in:
| Hauptverfasser: | , |
|---|---|
| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
May 1993
|
| In: |
Macromolecular theory and simulations
Year: 1993, Jahrgang: 2, Heft: 3, Pages: 299-308 |
| ISSN: | 1521-3919 |
| DOI: | 10.1002/mats.1993.040020301 |
| Online-Zugang: | Verlag, Volltext: http://dx.doi.org/10.1002/mats.1993.040020301 Verlag, Volltext: http://onlinelibrary.wiley.com/doi/10.1002/mats.1993.040020301/abstract 
|
| Verfasserangaben: | Dieter W. Heermann, Li Yixue |
MARC
| LEADER | 00000caa a2200000 c 4500 | ||
|---|---|---|---|
| 001 | 1559574364 | ||
| 003 | DE-627 | ||
| 005 | 20220813181851.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 170608s1993 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1002/mats.1993.040020301 |2 doi | |
| 035 | |a (DE-627)1559574364 | ||
| 035 | |a (DE-576)48957436X | ||
| 035 | |a (DE-599)BSZ48957436X | ||
| 035 | |a (OCoLC)1340975629 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rda | ||
| 041 | |a eng | ||
| 084 | |a 29 |2 sdnb | ||
| 100 | 1 | |a Heermann, Dieter W. |d 1955- |e VerfasserIn |0 (DE-588)115452974 |0 (DE-627)077261038 |0 (DE-576)289891256 |4 aut | |
| 245 | 1 | 2 | |a A global-update simulation method for polymer systems |c Dieter W. Heermann, Li Yixue |
| 264 | 1 | |c May 1993 | |
| 300 | |a 10 | ||
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a Computermedien |b c |2 rdamedia | ||
| 338 | |a Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Gesehen am 08.06.2017 | ||
| 520 | |a We describe a hybrid Monte Carlo algorithm, combining molecular dynamics with the Monte Carlo method, applied to the simulation of polymer systems. It is shown that observables are independent of the discretization error, and the performance, i.e., autocorrelation times of observables, is analyzed. For a dense system representing a polyethylene melt, we present data for the pair distribution function and the mean square displacement of a chain in the bulk. We also investigate the possibility of using a scaled Hamiltonian in the algorithm. | ||
| 700 | 1 | |a Li, Yixue |e VerfasserIn |0 (DE-588)1014136032 |0 (DE-627)665533950 |0 (DE-576)348346158 |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Macromolecular theory and simulations |d Weinheim : Wiley-VCH, 1994 |g 2(1993), 3, Seite 299-308 |h Online-Ressource |w (DE-627)269534679 |w (DE-600)1475028-4 |w (DE-576)077884779 |x 1521-3919 |7 nnas |a A global-update simulation method for polymer systems |
| 773 | 1 | 8 | |g volume:2 |g year:1993 |g number:3 |g pages:299-308 |g extent:10 |a A global-update simulation method for polymer systems |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1002/mats.1993.040020301 |x Verlag |x Resolving-System |3 Volltext |
| 856 | 4 | 0 | |u http://onlinelibrary.wiley.com/doi/10.1002/mats.1993.040020301/abstract |x Verlag |3 Volltext |
| 951 | |a AR | ||
| 992 | |a 20170608 | ||
| 993 | |a Article | ||
| 994 | |a 1993 | ||
| 998 | |g 115452974 |a Heermann, Dieter W. |m 115452974:Heermann, Dieter W. |d 130000 |d 130300 |e 130000PH115452974 |e 130300PH115452974 |k 0/130000/ |k 1/130000/130300/ |p 1 |x j | ||
| 999 | |a KXP-PPN1559574364 |e 2971491528 | ||
| BIB | |a Y | ||
| SER | |a journal | ||
| JSO | |a {"note":["Gesehen am 08.06.2017"],"type":{"bibl":"article-journal","media":"Online-Ressource"},"recId":"1559574364","language":["eng"],"person":[{"role":"aut","roleDisplay":"VerfasserIn","display":"Heermann, Dieter W.","given":"Dieter W.","family":"Heermann"},{"given":"Yixue","family":"Li","role":"aut","display":"Li, Yixue","roleDisplay":"VerfasserIn"}],"title":[{"title_sort":"global-update simulation method for polymer systems","title":"A global-update simulation method for polymer systems"}],"physDesc":[{"extent":"10 S."}],"relHost":[{"recId":"269534679","language":["eng"],"note":["Gesehen am 21.03.25"],"disp":"A global-update simulation method for polymer systemsMacromolecular theory and simulations","type":{"bibl":"periodical","media":"Online-Ressource"},"titleAlt":[{"title":"Theory and simulations"}],"part":{"pages":"299-308","issue":"3","year":"1993","extent":"10","volume":"2","text":"2(1993), 3, Seite 299-308"},"pubHistory":["Volume 3, issue 1 (January 1994)-"],"title":[{"title_sort":"Macromolecular theory and simulations","title":"Macromolecular theory and simulations"}],"physDesc":[{"extent":"Online-Ressource"}],"id":{"issn":["1521-3919"],"zdb":["1475028-4"],"eki":["269534679"],"doi":["10.1002/(ISSN)1521-3919"]},"origin":[{"dateIssuedDisp":"1994-","dateIssuedKey":"1994","publisher":"Wiley-VCH","publisherPlace":"Weinheim"}]}],"name":{"displayForm":["Dieter W. Heermann, Li Yixue"]},"origin":[{"dateIssuedDisp":"May 1993","dateIssuedKey":"1993"}],"id":{"eki":["1559574364"],"doi":["10.1002/mats.1993.040020301"]}} | ||
| SRT | |a HEERMANNDIGLOBALUPDA1993 | ||