Monte carlo and molecular dynamics simulations of polymers

Kurt Kremer; Gary S. Grest

doi:10.1088/0031-8949/1991/T35/013

Monte carlo and molecular dynamics simulations of polymers

Kurt Kremer
, Gary S. Grest

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

Abstract

This paper reviews some recent computer simulation work on the dynamics of polymeric systems. For two dimensional (2d) polymer melts the chains segregate. Their dynamics is very well described by the simple Rouse model. This investigation was carried out, using the bond fluctuation Monte Carlo method. Three dimensional (3d) melts were simulated via a molecular dynamics method. The chain lengths considered covered the crossover from the Rouse regime to the entangled regime, showing clear evidence for reptation. © 1991 IOP Publishing Ltd.

Original language	English
Pages (from-to)	61-65
Number of pages	5
Journal	Physica Scripta
Volume	1991
Issue number	T35
DOIs	https://doi.org/10.1088/0031-8949/1991/T35/013
State	Published - Jan 1 1991
Externally published	Yes

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title = "Monte carlo and molecular dynamics simulations of polymers",

abstract = "This paper reviews some recent computer simulation work on the dynamics of polymeric systems. For two dimensional (2d) polymer melts the chains segregate. Their dynamics is very well described by the simple Rouse model. This investigation was carried out, using the bond fluctuation Monte Carlo method. Three dimensional (3d) melts were simulated via a molecular dynamics method. The chain lengths considered covered the crossover from the Rouse regime to the entangled regime, showing clear evidence for reptation. {\textcopyright} 1991 IOP Publishing Ltd.",

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AB - This paper reviews some recent computer simulation work on the dynamics of polymeric systems. For two dimensional (2d) polymer melts the chains segregate. Their dynamics is very well described by the simple Rouse model. This investigation was carried out, using the bond fluctuation Monte Carlo method. Three dimensional (3d) melts were simulated via a molecular dynamics method. The chain lengths considered covered the crossover from the Rouse regime to the entangled regime, showing clear evidence for reptation. © 1991 IOP Publishing Ltd.

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DO - 10.1088/0031-8949/1991/T35/013

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VL - 1991

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EP - 65

JO - Physica Scripta

JF - Physica Scripta

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ER -

Monte carlo and molecular dynamics simulations of polymers

Abstract

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