Permanent set of cross-linking networks: Comparison of theory with molecular dynamics simulations

D.R. Rottach; J.G. Curro; J. Budzien; G.S. Grest; C. Svaneborg; R. Everaers

doi:10.1021/ma060767x

Permanent set of cross-linking networks: Comparison of theory with molecular dynamics simulations

D.R. Rottach
, J.G. Curro
, J. Budzien
, G.S. Grest
, C. Svaneborg
, R. Everaers

Unknown

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

360 Downloads (Pure)

Abstract

The permanent set of cross-linking networks is studied by molecular dynamics. The uniaxial stress for a bead-spring polymer network is investigated as a function of strain and cross-link density history, where cross-links are introduced in unstrained and strained networks. The permanent set is found from the strain of the network after it returns to the state-of-ease where the stress is zero. The permanent set simulations are compared with theory using the independent network hypothesis, together with the various theoretical rubber elasticity theories: affine, phantom, constrained junction, slip-tube, and double-tube models. The slip-tube and double-tube models, which incorporate entanglement effects, are found to be in very good agreement with the simulations
Udgivelsesdato: 2006/8/8

Originalsprog	Engelsk
Tidsskrift	Macromolecules
Vol/bind	39
Udgave nummer	16
Sider (fra-til)	5521-5530
Antal sider	9
ISSN	0024-9297
DOI	https://doi.org/10.1021/ma060767x
Status	Udgivet - 1. jan. 2006
Udgivet eksternt	Ja

Bibliografisk note

Times Cited: 12ArticleEnglishCurro, J. GUniv New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USACited References Count: 47068UUAMER CHEMICAL SOC1155 16TH ST, NW, WASHINGTON, DC 20036 USAWASHINGTON

Dokumenter og links

10.1021/ma060767x

Ma060767xForlagets udgivne version, 299 KB

SDU link

Tjek adgangen til materialet i Syddansk Universitetsbiblioteks søgemaskine

Citationsformater

@article{1b640b807f8a11df846a000ea68e967b,

title = "Permanent set of cross-linking networks: Comparison of theory with molecular dynamics simulations",

abstract = "The permanent set of cross-linking networks is studied by molecular dynamics. The uniaxial stress for a bead-spring polymer network is investigated as a function of strain and cross-link density history, where cross-links are introduced in unstrained and strained networks. The permanent set is found from the strain of the network after it returns to the state-of-ease where the stress is zero. The permanent set simulations are compared with theory using the independent network hypothesis, together with the various theoretical rubber elasticity theories: affine, phantom, constrained junction, slip-tube, and double-tube models. The slip-tube and double-tube models, which incorporate entanglement effects, are found to be in very good agreement with the simulations Udgivelsesdato: 2006/8/8",

author = "D.R. Rottach and J.G. Curro and J. Budzien and G.S. Grest and C. Svaneborg and R. Everaers",

note = "Times Cited: 12ArticleEnglishCurro, J. GUniv New Mexico, Dept Chem \& Nucl Engn, Albuquerque, NM 87131 USACited References Count: 47068UUAMER CHEMICAL SOC1155 16TH ST, NW, WASHINGTON, DC 20036 USAWASHINGTON",

year = "2006",

month = jan,

day = "1",

doi = "10.1021/ma060767x",

language = "English",

volume = "39",

pages = "5521--5530",

journal = "Macromolecules",

issn = "0024-9297",

publisher = "American Chemical Society",

number = "16",

}

TY - JOUR

T1 - Permanent set of cross-linking networks: Comparison of theory with molecular dynamics simulations

AU - Rottach, D.R.

AU - Curro, J.G.

AU - Budzien, J.

AU - Grest, G.S.

AU - Svaneborg, C.

AU - Everaers, R.

N1 - Times Cited: 12ArticleEnglishCurro, J. GUniv New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USACited References Count: 47068UUAMER CHEMICAL SOC1155 16TH ST, NW, WASHINGTON, DC 20036 USAWASHINGTON

PY - 2006/1/1

Y1 - 2006/1/1

N2 - The permanent set of cross-linking networks is studied by molecular dynamics. The uniaxial stress for a bead-spring polymer network is investigated as a function of strain and cross-link density history, where cross-links are introduced in unstrained and strained networks. The permanent set is found from the strain of the network after it returns to the state-of-ease where the stress is zero. The permanent set simulations are compared with theory using the independent network hypothesis, together with the various theoretical rubber elasticity theories: affine, phantom, constrained junction, slip-tube, and double-tube models. The slip-tube and double-tube models, which incorporate entanglement effects, are found to be in very good agreement with the simulations Udgivelsesdato: 2006/8/8

AB - The permanent set of cross-linking networks is studied by molecular dynamics. The uniaxial stress for a bead-spring polymer network is investigated as a function of strain and cross-link density history, where cross-links are introduced in unstrained and strained networks. The permanent set is found from the strain of the network after it returns to the state-of-ease where the stress is zero. The permanent set simulations are compared with theory using the independent network hypothesis, together with the various theoretical rubber elasticity theories: affine, phantom, constrained junction, slip-tube, and double-tube models. The slip-tube and double-tube models, which incorporate entanglement effects, are found to be in very good agreement with the simulations Udgivelsesdato: 2006/8/8

U2 - 10.1021/ma060767x

DO - 10.1021/ma060767x

M3 - Journal article

SN - 0024-9297

VL - 39

SP - 5521

EP - 5530

JO - Macromolecules

JF - Macromolecules

IS - 16

ER -