Predicting How Nanoconfinement Changes the Relaxation Time of a Supercooled Liquid

Trond Ingebrigtsen, Jeff Errington, Tom Truskett, J. C. Dyre

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Resumé

The properties of nanoconfined fluids can be strikingly different from those of bulk liquids. A basic unanswered question is whether the equilibrium and dynamic consequences of confinement are related to each other in a simple way. We study this question by simulation of a liquid comprising asymmetric dumbbell-shaped molecules, which can be deeply supercooled without crystallizing. We find that the dimensionless structural relaxation times—spanning six decades as a function of temperature, density, and degree of confinement—collapse when plotted versus excess entropy. The data also collapse when plotted versus excess isochoric heat capacity, a behavior consistent with the existence of isomorphs in the bulk and confined states.
OriginalsprogEngelsk
Artikelnummer235901
TidsskriftPhysical Review Letters
Vol/bind111
Antal sider6
ISSN0031-9007
DOI
StatusUdgivet - 2013

Citer dette

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Predicting How Nanoconfinement Changes the Relaxation Time of a Supercooled Liquid. / Ingebrigtsen, Trond; Errington, Jeff; Truskett, Tom ; Dyre, J. C.

I: Physical Review Letters, Bind 111, 235901, 2013.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

TY - JOUR

T1 - Predicting How Nanoconfinement Changes the Relaxation Time of a Supercooled Liquid

AU - Ingebrigtsen, Trond

AU - Errington, Jeff

AU - Truskett, Tom

AU - Dyre, J. C.

PY - 2013

Y1 - 2013

N2 - The properties of nanoconfined fluids can be strikingly different from those of bulk liquids. A basic unanswered question is whether the equilibrium and dynamic consequences of confinement are related to each other in a simple way. We study this question by simulation of a liquid comprising asymmetric dumbbell-shaped molecules, which can be deeply supercooled without crystallizing. We find that the dimensionless structural relaxation times—spanning six decades as a function of temperature, density, and degree of confinement—collapse when plotted versus excess entropy. The data also collapse when plotted versus excess isochoric heat capacity, a behavior consistent with the existence of isomorphs in the bulk and confined states.

AB - The properties of nanoconfined fluids can be strikingly different from those of bulk liquids. A basic unanswered question is whether the equilibrium and dynamic consequences of confinement are related to each other in a simple way. We study this question by simulation of a liquid comprising asymmetric dumbbell-shaped molecules, which can be deeply supercooled without crystallizing. We find that the dimensionless structural relaxation times—spanning six decades as a function of temperature, density, and degree of confinement—collapse when plotted versus excess entropy. The data also collapse when plotted versus excess isochoric heat capacity, a behavior consistent with the existence of isomorphs in the bulk and confined states.

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DO - 10.1103/PhysRevLett.111.235901

M3 - Journal article

VL - 111

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

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