References
- Xu , Z. , Pablo , J.J.d. and Kim , S. 1995 . Transport properties of polymer melts from nonequilibrium molecular dynamics . J. Chem. Phys. , 102 : 5836 – 5844 .
- Khare , R. , Pablo , J.J.d. and Yethiraj , A. 1997 . Rheological, thermodynamic, and structural studies of linear and branched alkanes under shear . J. Chem. Phys. , 107 : 6956 – 6964 .
- Lee , S.H. 1999 . The rheology of 6-propyl duodecane and 5-dibutyl nonane by non-equilibrium molecular dynamics simulations . Mol. Simul. , 22 : 271 – 284 .
- Kioupis , L.I. and Maginn , E.J. 1999 . Molecular simulation of poly-α-olefin synthetic lubricants: Impact of molecular architecture on performance properties . J. Phys. Chem. B , 103 : 10781 – 10790 .
- Jabbarzadeh , A. , Atkinson , J.D. and Tanner , R.I. 2003 . Effect of molecular shape on rheological properties in molecular dynamics simulation of star, H, comb, and linear polymer melts . Macromolecules , 36 : 5020 – 5031 .
- Tseng , H.-C. , Wu , J.-S. and Chang , R.-Y. 2008 . Shear thinning and shear dilatancy of liquid n-hexadecane via equilibrium and nonequilibrium molecular dynamics simulations: Temperature, pressure, and density effects . J. Chem. Phys. , 129 : 014502
- Tseng , H.-C. , Wu , J.-S. and Chang , R.-Y. 2009 . Material functions of liquid n-hexadecane under steady shear via nonequilibrium molecular dynamics simulations: Temperature, pressure, and density effects . J. Chem. Phys. , 130 : 084904
- Tseng , H.-C. , Wu , J.-S. and Chang , R.-Y. 2009 . Master curves and radial distribution functions for shear dilatancy of liquid n-hexadecane via nonequilibrium molecular dynamics simulations . J. Chem. Phys. , 130 : 164515
- Tseng , H.-C. , Wu , J.-S. and Chang , R.-Y. 2011 . Molecular structural property and potential energy dependence on nonequilibrium thermodynamic state point of liquid n-hexadecane under shear . J. Chem. Phys. , 134 : 044511
- Ryckaert , J.-P. and Bellemans , A. 1975 . Molecular dynamics of liquid n-butane near its boiling point . Chem. Phys. Lett. , 30 : 123 – 125 .
- Daivis , P.J. and Evans , D.J. 1994 . Comparison of constant pressure and constant volume nonequilibrium simulations of sheared model decane . J. Chem. Phys. , 100 : 541 – 547 .
- Mundy , C.J. , Siepmann , J.I. and Klein , M.L. 1995 . Decane under shear: A molecular dynamics study using reversible NVT-SLLOD and NPT-SLLOD algorithms . J. Chem. Phys. , 103 : 10192 – 10200 .
- Delhommelle , J. and Evans , D.J. 2001 . Comparison of thermostatting mechanisms in NVT and NPT simulations of decane under shear . J. Chem. Phys. , 115 : 43 – 49 .
- Edberg , R. , Morriss , G.P. and Evans , D.J. 1987 . Rheology of n-alkanes by nonequilibrium molecular dynamics . J. Chem. Phys. , 86 : 4555 – 4570 .
- Lees , A.W. and Edwards , S.F. 1972 . The computer study of transport processes under extreme conditions . J. Phys. C: Solid State Phys. , 5 : 1921 – 1929 .
- Macgowan , D. and Heyes , D.M. 1988 . Large timesteps in molecular dynamics simulations . Mol. Simul. , 1 : 277 – 297 .
- Allen , M.P. and Tildesley , D.J. 1989 . Computer Simulation of Liquids , New York : Oxford University Press .
- Irving , J.H. and Kirkwood , J.G. 1950 . The statistical mechanical theory of transport processes. IV. The equations of hydrodynamics . J. Chem. Phys. , 18 : 817 – 829 .
- Bird , R.B. , Armstrong , R.C. and Hassager , O. 1987 . Fluid Mechanics, Dynamics of Polymeric Liquids , Vol. 1 , New York : Wiley-Interscience .
- Yang , Y. , Pakkanen , T.A. and Rowley , R.L. 2002 . NEMD simulations of viscosity and viscosity index for lubricant-size model molecules . Int. J. Thermophys. , 23 : 1441 – 1454 .
- Barnes , H.A. , Hutton , J.F. and Walters , K. 1989 . An Introduction to Rheology , New York : Elsevier .
- Berker , A. , Chynoweth , S. , Klomp , U.C. and Michopoulos , Y. 1992 . Non-equilibrium molecular dynamics (NEMD) simulations and the rheological properties of liquid n-hexadecane . J. Chem. Soc. Faraday Trans. , 88 : 1717 – 1725 .
- Ferry , J.D. 1980 . Viscoelastic Properties of Polymers , New York : Wiley .
- Daivis , P.J. and Evans , D.J. 1992 . Computer simulation study of the comparative rheology of branched and linear alkanes . J. Chem. Phys. , 97 : 616 – 627 .
- Lee , S.H. 2000 . The rheology of liquid pentane isomers by non-equilibrium molecular dynamics simulations . Mol. Simul. , 23 : 243 – 256 .
- Kim , J.M. , Keffer , D.J. , Kröger , M. and Edwards , B.J. 2008 . Rheological and entanglement characteristics of linear-chain polyethylene liquids in planar Couette and planar elongational flows . J. Non-Newton. Fluid Mech. , 152 : 168 – 183 .
- Baig , C. and Mavrantzas , V.G. 2010 . Tension thickening, molecular shape, and flow birefringence of an H-shaped polymer melt in steady shear and planar extension . J. Chem. Phys. , 132 : 014904