Prediction of viscosity for molecular fluids at experimentally accessible shear rates using the transient time correlation function formalism

Guoai Pan; Clare McCabe

doi:10.1063/1.2364899

Prediction of viscosity for molecular fluids at experimentally accessible shear rates using the transient time correlation function formalism

The Journal of Chemical Physics ◽

10.1063/1.2364899 ◽

2006 ◽

Vol 125 (19) ◽

pp. 194527 ◽

Cited By ~ 23

Author(s):

Guoai Pan ◽

Clare McCabe

Keyword(s):

Correlation Function ◽

Time Correlation ◽

Time Correlation Function ◽

Transient Time ◽

Molecular Fluids ◽

Shear Rates ◽

Function Formalism

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Shear viscosity of liquid copper at experimentally accessible shear rates: Application of the transient-time correlation function formalism

The Journal of Chemical Physics ◽

10.1063/1.2829872 ◽

2008 ◽

Vol 128 (8) ◽

pp. 084506 ◽

Cited By ~ 16

Author(s):

Caroline Desgranges ◽

Jerome Delhommelle

Keyword(s):

Correlation Function ◽

Shear Viscosity ◽

Liquid Copper ◽

Time Correlation ◽

Time Correlation Function ◽

Transient Time ◽

Shear Rates ◽

Function Formalism

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Molecular simulation of transport in nanopores: Application of the transient-time correlation function formalism

Physical Review E ◽

10.1103/physreve.77.027701 ◽

2008 ◽

Vol 77 (2) ◽

Cited By ~ 19

Author(s):

Caroline Desgranges ◽

Jerome Delhommelle

Keyword(s):

Correlation Function ◽

Molecular Simulation ◽

Time Correlation ◽

Time Correlation Function ◽

Transient Time ◽

Function Formalism

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Transient time correlation function calculation of the viscosity of a molecular fluid at low shear rates: a comparison of stress tensors

Molecular Physics ◽

10.1080/00268970902922625 ◽

2009 ◽

Vol 107 (14) ◽

pp. 1423-1429 ◽

Cited By ~ 4

Author(s):

Oleg A. Mazyar ◽

Guoai Pan ◽

Clare McCabe

Keyword(s):

Correlation Function ◽

Time Correlation ◽

Time Correlation Function ◽

Transient Time ◽

Shear Rates ◽

Stress Tensors ◽

Function Calculation ◽

Low Shear

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Rheology of liquid fcc metals: Equilibrium and transient-time correlation-function nonequilibrium molecular dynamics simulations

Physical Review B ◽

10.1103/physrevb.78.184202 ◽

2008 ◽

Vol 78 (18) ◽

Cited By ~ 22

Author(s):

Caroline Desgranges ◽

Jerome Delhommelle

Keyword(s):

Molecular Dynamics ◽

Correlation Function ◽

Molecular Dynamics Simulations ◽

Time Correlation ◽

Time Correlation Function ◽

Nonequilibrium Molecular Dynamics ◽

Transient Time ◽

Fcc Metals ◽

Dynamics Simulations

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Accurate determination of normal stress differences via transient-time correlation function – non-equilibrium molecular dynamics (TTCF–NEMD) simulations

Molecular Simulation ◽

10.1080/08927020802575598 ◽

2009 ◽

Vol 35 (5) ◽

pp. 405-408 ◽

Cited By ~ 3

Author(s):

Caroline Desgranges ◽

Jerome Delhommelle

Keyword(s):

Molecular Dynamics ◽

Correlation Function ◽

Normal Stress ◽

Accurate Determination ◽

Time Correlation ◽

Time Correlation Function ◽

Transient Time ◽

Normal Stress Differences ◽

Non Equilibrium Molecular Dynamics

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Transient-time correlation function applied to mixed shear and elongational flows

The Journal of Chemical Physics ◽

10.1063/1.3684753 ◽

2012 ◽

Vol 136 (6) ◽

pp. 064105 ◽

Cited By ~ 14

Author(s):

Remco Hartkamp ◽

Stefano Bernardi ◽

B. D. Todd

Keyword(s):

Correlation Function ◽

Time Correlation ◽

Time Correlation Function ◽

Transient Time ◽

Elongational Flows

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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.5b00391 ◽

2015 ◽

Vol 11 (7) ◽

pp. 3321-3332 ◽

Cited By ~ 9

Author(s):

Valerio Vitale ◽

Jacek Dziedzic ◽

Simon M.-M. Dubois ◽

Hans Fangohr ◽

Chris-Kriton Skylaris

Keyword(s):

Fourier Transform ◽

Correlation Function ◽

Infrared Spectroscopy ◽

Time Correlation ◽

Time Correlation Function ◽

Function Formalism ◽

The Fourier Transform

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The Time-Correlation Function and the Memory-Function Formalism

Spectroscopy of Condensed Media ◽

10.1016/b978-0-12-734780-6.50008-x ◽

1985 ◽

pp. 167-228

Author(s):

C.H. WANG

Keyword(s):

Correlation Function ◽

Memory Function ◽

Time Correlation ◽

Time Correlation Function ◽

Function Formalism

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Space-Time Correlation Function Formalism for Slow Neutron Scattering

Physical Review Letters ◽

10.1103/physrevlett.4.239 ◽

1960 ◽

Vol 4 (5) ◽

pp. 239-240 ◽

Cited By ~ 233

Author(s):

P. Schofield

Keyword(s):

Correlation Function ◽

Neutron Scattering ◽

Slow Neutron ◽

Time Correlation ◽

Time Correlation Function ◽

Space Time ◽

Function Formalism

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Relation between the Vibrational Wavepacket Propagation Formalism and the Time-Correlation Function Formalism for Absorption and Raman Scattering

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.65.1703 ◽

1992 ◽

Vol 65 (6) ◽

pp. 1703-1706

Author(s):

Soo-Y. Lee

Keyword(s):

Correlation Function ◽

Raman Scattering ◽

Time Correlation ◽

Time Correlation Function ◽

Function Formalism ◽

Wavepacket Propagation

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