Application of transient-time correlation functions to nonequilibrium molecular-dynamics simulations of elongational flow

Physical Review E ◽

10.1103/physreve.56.6723 ◽

1997 ◽

Vol 56 (6) ◽

pp. 6723-6728 ◽

Author(s):

B. D. Todd

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Correlation Functions ◽

Elongational Flow ◽

Time Correlation ◽

Nonequilibrium Molecular Dynamics ◽

Time Correlation Functions ◽

Transient Time ◽

Dynamics Simulations

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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) ◽

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 ◽

Dynamics Simulations

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nMoldyn - Interfacing spectroscopic experiments, molecular dynamics simulations and models for time correlation functions

École thématique de la Société Française de la Neutronique ◽

10.1051/sfn/201112010 ◽

2011 ◽

Vol 12 ◽

pp. 201-232 ◽

Author(s):

V. Calandrini ◽

E. Pellegrini ◽

P. Calligari ◽

K. Hinsen ◽

G.R. Kneller

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Correlation Functions ◽

Time Correlation ◽

Time Correlation Functions ◽

Dynamics Simulations

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A new algorithm for unrestricted duration nonequilibrium molecular dynamics simulations of planar elongational flow

Computer Physics Communications ◽

10.1016/s0010-4655(98)00178-7 ◽

1999 ◽

Vol 117 (3) ◽

pp. 191-199 ◽

Author(s):

B.D. Todd ◽

Peter J. Daivis

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Elongational Flow ◽

Nonequilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Planar Elongational Flow

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Elongational viscosities from nonequilibrium molecular dynamics simulations of oscillatory elongational flow

The Journal of Chemical Physics ◽

10.1063/1.474512 ◽

1997 ◽

Vol 107 (5) ◽

pp. 1617-1624 ◽

Author(s):

B. D. Todd ◽

Peter J. Daivis

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Elongational Flow ◽

Nonequilibrium Molecular Dynamics ◽

Dynamics Simulations

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A proper approach for nonequilibrium molecular dynamics simulations of planar elongational flow

The Journal of Chemical Physics ◽

10.1063/1.1819869 ◽

2005 ◽

Vol 122 (11) ◽

pp. 114103 ◽

Author(s):

C. Baig ◽

B. J. Edwards ◽

D. J. Keffer ◽

H. D. Cochran

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Elongational Flow ◽

Nonequilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Planar Elongational Flow

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Rheological and structural studies of linear polyethylene melts under planar elongational flow using nonequilibrium molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.2174006 ◽

2006 ◽

Vol 124 (8) ◽

pp. 084902 ◽

Author(s):

C. Baig ◽

B. J. Edwards ◽

D. J. Keffer ◽

H. D. Cochran ◽

V. A. Harmandaris

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Elongational Flow ◽

Nonequilibrium Molecular Dynamics ◽

Structural Studies ◽

Linear Polyethylene ◽

Polyethylene Melts ◽

Dynamics Simulations ◽

Planar Elongational Flow

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Nonequilibrium Molecular Dynamics Simulations of Planar Elongational Flow with Spatially and Temporally Periodic Boundary Conditions

Physical Review Letters ◽

10.1103/physrevlett.81.1118 ◽

1998 ◽

Vol 81 (5) ◽

pp. 1118-1121 ◽

Author(s):

B. Todd ◽

Peter Daivis

Keyword(s):

Molecular Dynamics ◽

Boundary Conditions ◽

Molecular Dynamics Simulations ◽

Periodic Boundary ◽

Elongational Flow ◽

Periodic Boundary Conditions ◽

Nonequilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Planar Elongational Flow

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Rheological and structural studies of liquid decane, hexadecane, and tetracosane under planar elongational flow using nonequilibrium molecular-dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.1897373 ◽

2005 ◽

Vol 122 (18) ◽

pp. 184906 ◽

Author(s):

C. Baig ◽

B. J. Edwards ◽

D. J. Keffer ◽

H. D. Cochran

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Elongational Flow ◽

Nonequilibrium Molecular Dynamics ◽

Structural Studies ◽

Dynamics Simulations ◽

Planar Elongational Flow

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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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Investigation of Thermal Resistance and Heat Conduction at α-quartz -liquid Alkane Interfaces Using Nonequilibrium Molecular Dynamics Simulations

Proceedings of the 15th International Heat Transfer Conference ◽

10.1615/ihtc15.nmm.009459 ◽

2014 ◽

Author(s):

Hari Krishna Chilukoti ◽

Gota Kikugawa ◽

Masahiko Shibahara ◽

Taku Ohara

Keyword(s):

Molecular Dynamics ◽

Heat Conduction ◽

Thermal Resistance ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Dynamics Simulations

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