Publications by Daivis, P

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Books (1)
Todd, B and Daivis, P 2017, Nonequilibrium Molecular Dynamics, Cambridge University Press, New York, USA. 100  
Journal Articles (66)
Smith, E, Daivis, P and Todd, B 2019, 'Measuring heat flux beyond Fourier's law', Journal of Chemical Physics, vol. 150, no. 6, pp. 1-16. 5   0
Hannam, S, Daivis, P and Bryant, G 2019, 'Compositional relaxation on the approach to the glass transition in a model trehalose solution', Physical Review E, vol. 99, no. 3, pp. 1-12. 13   1 1
Daivis, P and Todd, B 2018, 'Challenges in nanofluidics-beyond Navier-Stokes at the molecular scale', Processes, vol. 6, no. 9, pp. 1-14. 12 9 5 1
Menzel, A, Daivis, P and Todd, B 2017, 'Deviations from classical hydrodynamic theory in highly confined planar poiseuille flow of a polymer solution', Computational Methods in Science and Technology, vol. 23, no. 3, pp. 219-231. 105  
Kannam, S, Daivis, P and Todd, B 2017, 'Modeling slip and flow enhancement of water in carbon nanotubes', MRS Bulletin, vol. 42, no. 4, pp. 283-288. 76   13 Cited 3 times in Scopus3 1
Hannam, S, Daivis, P and Bryant, G 2017, 'Dramatic slowing of compositional relaxations in the approach to the glass transition for a bimodal colloidal suspension', Physical Review E, vol. 96, no. 2, 022609, pp. 022609-1-022609-12. 42 28 2 0 0
Ostler, D, Kannam, S, Daivis, P, Frascoli, F and Todd, B 2017, 'Electropumping of water in functionalized carbon nanotubes using rotating electric fields', Journal of Physical Chemistry C, vol. 121, no. 50, pp. 28158-28165. 9   6 0
Hannam, S, Daivis, P and Bryant, G 2016, 'Molecular dynamics simulation study of the static and dynamic properties of a model colloidal suspension with explicit solvent', Molecular Simulation, vol. 42, no. 6-7, pp. 511-521. 64 28 3 Cited 3 times in Scopus3 0
De Luca, S, Kannam, S, Todd, B, Frascoli, F, Hansen, J and Daivis, P 2016, 'Effects of confinement on the dielectric response of water extends up to mesoscale dimensions', Langmuir, vol. 32, no. 19, pp. 4765-4773. 120   9 Cited 1 times in Scopus1 0
Hannam, S, Daivis, P and Bryant, G 2016, 'Dynamics of a model colloidal suspension from dilute to freezing', Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, vol. 94, no. 1, 012619, pp. 012619-1-012619-15. 110 31 3 Cited 1 times in Scopus1 1
Lemarchand, C, Bailey, N, Todd, B, Daivis, P and Hansen, J 2015, 'Non-Newtonian behavior and molecular structure of Cooee bitumen under shear flow: A non-equilibrium molecular dynamics study', Journal of Chemical Physics, vol. 142, no. 24, 244501, pp. 1-17. 30   8 Cited 5 times in Scopus5 1
Dalton, B, Glavatskiy, K, Daivis, P and Todd, B 2015, 'Nonlocal response functions for predicting shear flow of strongly inhomogeneous fluids. II. Sinusoidally driven shear and multisinusoidal inhomogeneity', Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, vol. 92, no. 1, 012108, pp. 1-15. 20   7 Cited 4 times in Scopus4 0
Glavatskiy, K, Dalton, B, Daivis, P and Todd, B 2015, 'Nonlocal response functions for predicting shear flow of strongly inhomogeneous fluids. I. Sinusoidally driven shear and sinusoidally driven inhomogeneity', Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, vol. 91, no. 6, 062132, pp. 1-18. 32   7 Cited 5 times in Scopus5 1
Hansen, J, Dyre, J, Daivis, P, Todd, B and Bruus, H 2015, 'Continuum nanofluidics', Langmuir, vol. 31, no. 49, pp. 13275-13289. 83   16 Cited 8 times in Scopus8 1
Daivis, P, Hajizadeh, E and Todd, B 2015, 'A molecular dynamics investigation of the planar elongational rheology of chemically identical dendrimer-linear polymer blends', Journal of Chemical Physics, vol. 142, no. 17, 174911, pp. 1-13. 137   4 Cited 2 times in Scopus2 0
De Luca, S, Todd, B, Hansen, J and Daivis, P 2014, 'A new and effective method for thermostatting confined fluids', The Journal of Chemical Physics, vol. 140, no. 5, 054502, pp. 1-15. 188   14 Cited 9 times in Scopus9 0
Hajizadeh, E, Todd, B and Daivis, P 2014, 'Nonequilibrium molecular dynamics simulation of dendrimers and hyperbranched polymer melts undergoing planar elongational flow', Journal of Rheology, vol. 58, no. 2, pp. 281-305. 95 187 10 0
Hajizadeh, E, Todd, B and Daivis, P 2014, 'Shear rheology and structural properties of chemically identical dendrimer-linear polymer blends through molecular dynamics simulations', Journal of Chemical Physics, vol. 141, no. 19, 194905, pp. 1-15. 68   6 Cited 4 times in Scopus4 0
De Luca, S, Todd, B, Hansen, J and Daivis, P 2014, 'Molecular dynamics study of nanoconfined water flow driven by rotating electric fields under realistic experimental conditions', Langmuir: the A C S journal of surfaces and colloids, vol. 30, no. 11, pp. 3095-3109. 71   16 Cited 12 times in Scopus12 22
Miller, N, Daivis, P, Snook, I and Todd, B 2013, 'Computation of thermodynamic and transport properties to predict thermophoretic effects in an argon-krypton mixture', The Journal of Chemical Physics, vol. 139, no. 14, 144504, pp. 1-10. 149 146 1
Hartkamp, R, Daivis, P and Todd, B 2013, 'Density dependence of the stress relaxation function of a simple fluid', Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol. 87, no. 3, 032155, pp. 1-11. 104   17 Cited 6 times in Scopus6 1
Kannam, S, Todd, B, Hansen, J and Daivis, P 2013, 'How fast does water flow in carbon nanotubes?', The Journal of Chemical Physics, vol. 138, no. 9, 094701, pp. 1-9. 48   127 Cited 82 times in Scopus82 0
Dalton, B, Daivis, P, Hansen, J and Todd, B 2013, 'Effects of nanoscale density inhomogeneities on shearing fluids', Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol. 88, no. 5, 052143, pp. 1-15. 78   7 Cited 4 times in Scopus4 0
Dalton, B, Glavatskiy, K, Daivis, P, Todd, B and Snook, I 2013, 'Linear and nonlinear density response functions for a simple atomic fluid', The Journal of Chemical Physics, vol. 139, no. 4, 044510, pp. 1-12. 44   7 0 0
De Luca, S, Todd, B, Hansen, J and Daivis, P 2013, 'Electropumping of water with rotating electric fields', The Journal of Chemical Physics, vol. 138, no. 15, 154712, pp. 1-10. 88   20 Cited 21 times in Scopus21 0
Hansen, J, Daivis, P, Dyre, J, Todd, B and Bruus, H 2013, 'Generalized extended Navier-Stokes theory: Correlations in molecular fluids with intrinsic angular momentum', Journal of Chemical Physics, vol. 138, no. 3, pp. 1-9. 76   7 Cited 5 times in Scopus5 0
Daivis, P and Jou, D 2012, 'Thermodynamic considerations on thermostats and Maxwell relations in steady sheared fluids', Continuum Mechanics and Thermodynamics, vol. 24, no. 1, pp. 37-48. 91   6 Cited 3 times in Scopus3 0
Kannam, S, Todd, B, Hansen, J and Daivis, P 2012, 'Slip length of water on graphene: Limitations of non-equilibrium molecular dynamics simulations', Journal of Chemical Physics, vol. 136, no. 2. 120   89 Cited 55 times in Scopus55 1
Daivis, P, Dalton, B and Morishita, T 2012, 'Effect of kinetic and configurational thermostats on calculations of the first normal stress coefficient in nonequilibrium molecular dynamics simulations', Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol. 86, no. 5, pp. 1-7. 76   11 Cited 9 times in Scopus9 1
Kannam, S, Todd, B, Hansen, J and Daivis, P 2012, 'Interfacial slip friction at a fluid-solid cylindrical boundary', The Journal of Chemical Physics, vol. 136, no. 24, pp. 1-6. 41   26 Cited 27 times in Scopus27 1
Hansen, J, Dyre, J, Daivis, P, Todd, B and Bruus, H 2011, 'Nanoflow hydrodynamics', Physical Review E, vol. 84, no. 3, pp. 1-6. 57   Cited 20 times in Scopus20 1
Hansen, J, Todd, B and Daivis, P 2011, 'Prediction of fluid velocity slip at solid surfaces', Physical Review E, vol. 84, no. 1, pp. 1-8. 77   Cited 41 times in Scopus41 0
Kannam, S, Todd, B, Hansen, J and Daivis, P 2011, 'Slip flow in graphene nanochannels', Journal of Chemical Physics, vol. 135, no. 14, pp. 1-9. 170   67 Cited 43 times in Scopus43 0
Prathiraja, P, Daivis, P and Snook, I 2010, 'A molecular simulation study of shear viscosity and thermal conductivity of liquid carbon disulphide', Journal Of Molecular Liquids, vol. 154, no. 1, pp. 6-13. 279   3 Cited 2 times in Scopus2 0
Puscasu, R, Todd, B, Daivis, P and Hansen, J 2010, 'Viscosity kernel of molecular fluids: Butane and polymer melts', Physical Review E, vol. 82, no. 1, 011801, pp. 321-330. 141   9 Cited 7 times in Scopus7 0
Puscasu, R, Todd, B, Daivis, P and Hansen, J 2010, 'An extended analysis of the viscosity kernel for monatomic and diatomic fluids', Journal Of Physics - Condensed Matter, vol. 22, no. 19, pp. 1-12. 208   7 Cited 9 times in Scopus9 0
Puscasu, R, Todd, B, Daivis, P and Hansen, J 2010, 'Nonlocal viscosity of polymer melts approaching their glassy state', Journal of Chemical Physics, vol. 133, no. 14, pp. 1-16. 98   18 Cited 17 times in Scopus17 0
Hansen, J, Bruus, H, Todd, B and Daivis, P 2010, 'Rotational and spin viscosities of water: Application to nanofluidics', Journal of Chemical Physics, vol. 133, no. 14, pp. 144906-1-144906-7. 105   20 Cited 19 times in Scopus19 0
Hansen, J, Daivis, P and Todd, B 2009, 'Molecular spin in nano-confined fluidic flows', Microfluidics and Nanofluidics, vol. 6, no. 6, pp. 785-795. 79   17 Cited 16 times in Scopus16 0
Le, T, Todd, B, Daivis, P and Uhlherr, A 2009, 'Structural properties of hyperbranched polymers in the melt under shear via nonequilibrium molecular dynamics simulation', Journal of Chemical Physics, vol. 130, no. 7, pp. 1-10. 205   21 Cited 17 times in Scopus17 0
Le, T, Todd, B, Daivis, P and Uhlherr, A 2009, 'Rheology of hyperbranched polymer melts undergoing planar Couette flow', Journal of Chemical Physics, vol. 131, no. 4, pp. 1-1. 62   17 Cited 15 times in Scopus15 0
Hansen, J, Daivis, P and Todd, B 2009, 'Viscous properties of isotropic fluids composed of linear molecules: Departure from the classical Navier-Stokes theory in nano-confined geometries', Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol. 80, no. 4, pp. 046322-1-046322-9. 194   Cited 12 times in Scopus12 1
Le, T, Todd, B, Daivis, P and Uhlherr, A 2009, 'The effect of interbranch spacing on structural and rheological properties of hyperbranched polymer melts', The Journal of Chemical Physics, vol. 131, no. 164901, pp. 1-12. 66   Cited 8 times in Scopus8 0
Zhou, Z and Daivis, P 2009, 'Molecular dynamics study of polymer conformation as a function of concentration and solvent quality', Journal of Chemical Physics, vol. 130, no. 22, pp. 1-10. 81 701 11 Cited 4 times in Scopus4 0
Hansen, J, Todd, B and Daivis, P 2008, 'Dynamical properties of a confined diatomic fluid undergoing zero mean oscillatory flow: Effect of molecular rotation', Physical Review E, vol. 77, no. 6, pp. 66707-1-066707-10. 162   7 Cited 8 times in Scopus8 0
Todd, B, Hansen, J and Daivis, P 2008, 'Nonlocal shear stress for homogeneous fluids', Physical Review Letters, vol. 100, no. 19, pp. 1-4. 61   51 Cited 49 times in Scopus49 0
Cadusch, P, Todd, B, Zhang, J and Daivis, P 2008, 'A non-local hydrodynamic model for the shear viscosity of confined fluids: analysis of a homogeneous kernel', Journal of Physics A: Mathematical and Theoretical, vol. 41, pp. 1-23. 212   18 Cited 19 times in Scopus19 0
Daivis, P 2008, 'Thermodynamic relationships for shearing linear viscoelastic fluids', Journal of Non-Newtonian Fluid Mechanics, vol. 152, no. 13, pp. 120-128. 181   10 Cited 10 times in Scopus10 0
Snook, I, Daivis, P and Kairn, T 2008, 'The flow of colloids and polymers in channels simulated using non-equilibrium molecular dynamics', Journal of Physics: Condensed Matter, vol. 20, pp. 1-8. 210   3 Cited 2 times in Scopus2 0
Daivis, P, Matin, M and Todd, B 2007, 'Nonlinear shear and elongational rheology of model polymer melts at low strain rates', Journal Of Non-Newtonian Fluid Mechanics, vol. 147, pp. 35-44. 86   25 Cited 22 times in Scopus22 0
Hansen, J, Daivis, P and Todd, B 2007, 'Local linear viscoelasticity of confined fluids', Journal of Chemical Physics, vol. 126, pp. 1-7. 88   12 Cited 13 times in Scopus13 0
Hansen, J, Daivis, P, Travis, K and Todd, B 2007, 'Parameterization of the nonlocal viscosity kernel for an atomic fluid', Physical Review E, vol. 76, no. 4, pp. 041121.1-041121.8. 121   33 Cited 30 times in Scopus30 0
Todd, B and Daivis, P 2007, 'Homogenous non-equilibrium molecular dynamics simulations of viscous flow: techniques and applications', Molecular Simulation, vol. 33, pp. 189-229. 134   Cited 72 times in Scopus72 0
Zhang, J, Hansen, J, Todd, B and Daivis, P 2007, 'Structural and dynamical properties for confined polymers undergoing planar Poiseuille flow', Journal Of Chemical Physics, vol. 126, pp. 1-14. 181   16 Cited 17 times in Scopus17 0
Daivis, P and Todd, B 2006, 'A simple, direct derivation and proof of the validity of the SLLOD equations of motion for generalized homogeneous flows', Journal Of Chemical Physics, vol. 124, no. 19, pp. 194103-1-194103-9. 249   Cited 34 times in Scopus34 0
Mcphie, M, Daivis, P and Snook, I 2006, 'Viscosity of a binary mixture: Approach to the hydrodynamic limit', Physical Review E, vol. 74, no. 3, pp. 031201-1-031201-13. 189   Cited 19 times in Scopus19 0
Kairn, T, Daivis, P, Ivanov, I and Bhattacharya, S 2005, 'Molecular-dynamics simulation of model polymer nanocomposite rheology and comparison with experiment', Journal of Chemical Physics, vol. 123, no. 19, pp. 194905-1-194905-7. 121   41 Cited 38 times in Scopus38 0
Kairn, T, Daivis, P, Matin, M and Snook, I 2004, 'Concentration dependence of viscometric properties of model short chain polymer solutions', Polymer, vol. 45, pp. 2453-2464. 179   18 Cited 16 times in Scopus16 0
Bennett, A, Daivis, P, Shanks, R and Knott, R 2004, 'Concentration dependence of static and hydrodynamic screening lengths for three different polymers in a variety of solvents', Polymer, vol. 45, pp. 8531-8540. 153   Cited 4 times in Scopus4 0
Kairn, T, Daivis, P, Matin, M and Snook, I 2004, 'Effects of concentration on steady state viscometric properties of short chain polymer solutions over the entire concentration range', International Journal of Thermophysics, vol. 25, pp. 1075-1084. 142   Cited 6 times in Scopus6 0
Daivis, P and Matin, M 2003, 'Steady-state thermodynamics of shearing linear viscoelastic fluids', Journal of Chemical Physics, vol. 118, no. 24, pp. 11111-11119. 91   Cited 14 times in Scopus14 0
Matin, M, Daivis, P and Todd, B 2003, 'Cell neighbor list method for planar elongational flow: rheology of a diatomic fluid', Computer Physics Communications, vol. 151, no. 1, pp. 35-46. 124   Cited 9 times in Scopus9 0
Daivis, P, Matin, M and Todd, B 2003, 'Nonlinear shear and elongational rheology of model polymer melts by non-equilibrium molecular dynamics', Journal of Non-Newtonian Fluid Mechanics, vol. 111, no. 1, pp. 1-18. 87   Cited 55 times in Scopus55 0
Zhou, Z, Todd, B and Daivis, P 2003, 'Parallelisation of nonequilibrium molecular dynamics code for polymer melts using OpenMP', Lecture Notes in Computer Science, vol. 2659, pp. 275-285. 134   0 0
Snook, I, O'Malley, B, McPhie, M and Daivis, P 2003, 'The approach to the Brownian limit in particulate dispersions', Journal of Molecular Liquids, vol. 103-104, pp. 405-421. 75   Cited 13 times in Scopus13 0
McPhie, M, Daivis, P, Snook, I, Ennis, J and Evans, D 2001, 'Generalized Langevin equation for nonequilibrium systems', Physica A, vol. 299, no. 3-4, pp. 412-426. 147   Cited 14 times in Scopus14 0
Conference Papers (4)
Charles, A and Daivis, P 2011, 'A three dimensional smooth particle hydrodynamics model of the nanoscale condensation of water', in Chan, F., Marinova, D. and Anderssen, R.S (ed.) MODSIM 2011 The 19th International Congress on Modelling and Simulation, Perth, Australia, 12-16 December 2011, pp. 516-522. 190   Cited 2 times in Scopus2
Charles, A and Daivis, P 2009, 'Smooth particle methods for liquid-vapour coexistence', in Anderssen, R.S., R.D. Braddock and L.T.H. Newham (ed.) Proceedings of the 18th World IMACS / MODSIM Congress, Cairns, Australia, 13 - 17 July 2009, pp. 303-309. 298  
Le, T, Todd, B, Daivis, P and Uhlherr, A 2008, 'Rheology and structural properties of hyperbranched polymers: A non-equilibrium molecular dynamics study', in Prof. Albert Co, Prof. L. Gary Leal, Prof. Ralph J. Colby, Prof. A. Jeffrey Giacomin (ed.) The XVth International Congress on Rheology, Monterey, United States, 3-8 August 2008, pp. 433-435. 5  
Daivis, P, Snook, I, Matin, M, Kairn, T and McPhie, M 2004, 'Computer simulation studies of the rheology of soft condensed matter', in Proceedings of the 28th Annual Condensed Matter and Materials Meeting, Wagga Wagga, Australia, 3-6 February 2004. 100  
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