Communication: Simple liquids’ high-density viscosity

Costigliola, Lorenzo; Pedersen, Ulf R.; Heyes, D. M.; Schrøder, Thomas B.; Dyre, Jeppe C.

doi:10.1063/1.5022058

Cited by 30 publications

(25 citation statements)

References 73 publications

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“…For R-simple liquids, the temperature is given by T = h ( ρ ) f ( S e x ) in which h ( ρ ) is a function of density 79 . The freezing line is an approximate isomorph 44 , 80 , and since an isomorph is characterized by h ( ρ )/ T = const., one has h ( ρ ) ∝ T f ( ρ ) with the reference isomorph being the freezing line 81 , 82 . The quasiuniversality found here explains the quasiuniversality found for metallic alloys since T / T A ≈ T / T l ≈ T / T f ( ρ ) = f ( S ex ).…”

Section: Resultsmentioning

confidence: 99%

Excess-entropy scaling in supercooled binary mixtures

2020

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Transport coefficients, such as viscosity or diffusion coefficient, show significant dependence on density or temperature near the glass transition. Although several theories have been proposed for explaining this dynamical slowdown, the origin remains to date elusive. We apply here an excess-entropy scaling strategy using molecular dynamics computer simulations and find a quasiuniversal, almost composition-independent, relation for binary mixtures, extending eight orders of magnitude in viscosity or diffusion coefficient. Metallic alloys are also well captured by this relation. The excess-entropy scaling predicts a quasiuniversal breakdown of the Stokes-Einstein relation between viscosity and diffusion coefficient in the supercooled regime. Additionally, we find evidence that quasiuniversality extends beyond binary mixtures, and that the origin is difficult to explain using existing arguments for singlecomponent quasiuniversality.

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Section: Resultsmentioning

confidence: 99%

Excess-entropy scaling in supercooled binary mixtures

2020

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“…Costigliola et al [47] and others [46,48,49] suggest that water (and other associating fluids) should not have a monovariate viscosity scaling in terms of residual entropy in the liquid phase due to the presence of hydrogen-bonding networks. Fig.…”

Section: Discussionmentioning

confidence: 99%

Probing the link between residual entropy and viscosity of molecular fluids and model potentials

Bell

2019

Proc. Natl. Acad. Sci. U.S.A.

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This work investigates the link between residual entropy and viscosity based on wide-ranging, highly accurate experimental and simulation data. This link was originally postulated by Rosenfeld in 1977, and it is shown that this scaling results in an approximately monovariate relationship between residual entropy and reduced viscosity for a wide range of molecular fluids (argon, methane, CO 2 , SF 6 , refrigerant R-134a (1,1,1,2-tetrafluoroethane), refrigerant R-125 (pentafluoroethane), methanol, and water), and a range of model poten-arXiv:1809.05682v1 [physics.chem-ph]

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“…For soft repulsive Yukawa systems considered here the value of the constant (C 4.8) is smaller than that for Lennard-Jones liquid (C 5.2) and argon (C 5.8), recently reported. 42 Liquid metals also demonstrate somewhat higher C, as illustrated in Tab. I, where the reduced shear viscosity coefficients of some liquid metals at the melting temperature have been evaluated using experimental data summarized by March and Tosi.…”

Section: Alternative Formulamentioning

confidence: 96%

Practical formula for the shear viscosity of Yukawa fluids

Khrapak

2018

AIP Advances

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A simple practical formula for the shear viscosity coefficient of Yukawa fluids is presented. This formula allows estimation of the shear viscosity in a very extended range of temperatures, from the melting point to 100 times the melting temperature. It demonstrates reasonable agreement with the available results from molecular dynamics simulations. Some aspects of the temperature dependence of the shear viscosity and diffusion coefficients on approaching the fluid-solid phase transition are discussed.

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Communication: Simple liquids’ high-density viscosity

Abstract: Perspective: Ab initio force field methods derived from quantum mechanics

Cited by 30 publications

References 73 publications

Excess-entropy scaling in supercooled binary mixtures

Excess-entropy scaling in supercooled binary mixtures

Probing the link between residual entropy and viscosity of molecular fluids and model potentials

Practical formula for the shear viscosity of Yukawa fluids

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