Non-local viscosity of polymer melts approaching their glassy state

Ruslan Puscasu, Billy Todd, Peter Daivis, Jesper Schmidt Hansen

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

The nonlocal viscosity kernels of polymer melts have been determined by means of equilibrium molecular dynamics upon cooling toward the glass transition. Previous results for the temperature dependence of the self-diffusion coefficient and the value of the glass transition temperature are confirmed. We find that it is essential to include the attractive part of the interatomic potential in order to observe a strong glass transition. The width of the reciprocal space kernel decreases dramatically near the glass transition, being described by a deltalike function near and below the glass transition, leading to a very broad kernel in physical space. Thus, spatial nonlocality turns out to play an important role in polymeric fluids at temperatures near the glass transition temperature
Original languageEnglish
JournalJournal of Chemical Physics
Volume133
Issue number14
Number of pages16
ISSN0021-9606
DOIs
Publication statusPublished - 2010

Cite this

Puscasu, Ruslan ; Todd, Billy ; Daivis, Peter ; Hansen, Jesper Schmidt. / Non-local viscosity of polymer melts approaching their glassy state. In: Journal of Chemical Physics. 2010 ; Vol. 133, No. 14.
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author = "Ruslan Puscasu and Billy Todd and Peter Daivis and Hansen, {Jesper Schmidt}",
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Non-local viscosity of polymer melts approaching their glassy state. / Puscasu, Ruslan; Todd, Billy; Daivis, Peter; Hansen, Jesper Schmidt.

In: Journal of Chemical Physics, Vol. 133, No. 14, 2010.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Non-local viscosity of polymer melts approaching their glassy state

AU - Puscasu, Ruslan

AU - Todd, Billy

AU - Daivis, Peter

AU - Hansen, Jesper Schmidt

PY - 2010

Y1 - 2010

N2 - The nonlocal viscosity kernels of polymer melts have been determined by means of equilibrium molecular dynamics upon cooling toward the glass transition. Previous results for the temperature dependence of the self-diffusion coefficient and the value of the glass transition temperature are confirmed. We find that it is essential to include the attractive part of the interatomic potential in order to observe a strong glass transition. The width of the reciprocal space kernel decreases dramatically near the glass transition, being described by a deltalike function near and below the glass transition, leading to a very broad kernel in physical space. Thus, spatial nonlocality turns out to play an important role in polymeric fluids at temperatures near the glass transition temperature

AB - The nonlocal viscosity kernels of polymer melts have been determined by means of equilibrium molecular dynamics upon cooling toward the glass transition. Previous results for the temperature dependence of the self-diffusion coefficient and the value of the glass transition temperature are confirmed. We find that it is essential to include the attractive part of the interatomic potential in order to observe a strong glass transition. The width of the reciprocal space kernel decreases dramatically near the glass transition, being described by a deltalike function near and below the glass transition, leading to a very broad kernel in physical space. Thus, spatial nonlocality turns out to play an important role in polymeric fluids at temperatures near the glass transition temperature

U2 - 10.1063/1.3499745

DO - 10.1063/1.3499745

M3 - Journal article

VL - 133

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 14

ER -