





Books (1)

Todd, B and Daivis, P 2017, Nonequilibrium Molecular Dynamics, Cambridge University Press, New York, USA.

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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. 116.

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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. 112.

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Daivis, P and Todd, B 2018, 'Challenges in nanofluidicsbeyond NavierStokes at the molecular scale', Processes, vol. 6, no. 9, pp. 114.

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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. 219231.

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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. 283288.

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Cited 3 times in Scopus3

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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. 022609102260912.

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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. 2815828165.

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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. 67, pp. 511521.

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Cited 3 times in Scopus3

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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. 47654773.

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Cited 1 times in Scopus1

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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. 012619101261915.

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Cited 1 times in Scopus1

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Hansen, J, Dyre, J, Daivis, P, Todd, B and Bruus, H 2015, 'Continuum nanofluidics', Langmuir, vol. 31, no. 49, pp. 1327513289.

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Cited 8 times in Scopus8

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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. 118.

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7

Cited 5 times in Scopus5

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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. 115.

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Cited 4 times in Scopus4

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Lemarchand, C, Bailey, N, Todd, B, Daivis, P and Hansen, J 2015, 'NonNewtonian behavior and molecular structure of Cooee bitumen under shear flow: A nonequilibrium molecular dynamics study', Journal of Chemical Physics, vol. 142, no. 24, 244501, pp. 117.

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Cited 5 times in Scopus5

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Daivis, P, Hajizadeh, E and Todd, B 2015, 'A molecular dynamics investigation of the planar elongational rheology of chemically identical dendrimerlinear polymer blends', Journal of Chemical Physics, vol. 142, no. 17, 174911, pp. 113.

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Cited 2 times in Scopus2

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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. 281305.

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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. 115.

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Cited 9 times in Scopus9

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Hajizadeh, E, Todd, B and Daivis, P 2014, 'Shear rheology and structural properties of chemically identical dendrimerlinear polymer blends through molecular dynamics simulations', Journal of Chemical Physics, vol. 141, no. 19, 194905, pp. 115.

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Cited 4 times in Scopus4

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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. 30953109.

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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 argonkrypton mixture', The Journal of Chemical Physics, vol. 139, no. 14, 144504, pp. 110.

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Hansen, J, Daivis, P, Dyre, J, Todd, B and Bruus, H 2013, 'Generalized extended NavierStokes theory: Correlations in molecular fluids with intrinsic angular momentum', Journal of Chemical Physics, vol. 138, no. 3, pp. 19.

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Cited 5 times in Scopus5

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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. 111.

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Cited 6 times in Scopus6

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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. 19.

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Cited 82 times in Scopus82

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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. 112.

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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. 110.

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Cited 21 times in Scopus21

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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. 115.

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Cited 4 times in Scopus4

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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. 3748.

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Cited 3 times in Scopus3

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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. 17.

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Cited 9 times in Scopus9

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Kannam, S, Todd, B, Hansen, J and Daivis, P 2012, 'Slip length of water on graphene: Limitations of nonequilibrium molecular dynamics simulations', Journal of Chemical Physics, vol. 136, no. 2.

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Cited 55 times in Scopus55

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Kannam, S, Todd, B, Hansen, J and Daivis, P 2012, 'Interfacial slip friction at a fluidsolid cylindrical boundary', The Journal of Chemical Physics, vol. 136, no. 24, pp. 16.

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Cited 27 times in Scopus27

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Hansen, J, Dyre, J, Daivis, P, Todd, B and Bruus, H 2011, 'Nanoflow hydrodynamics', Physical Review E, vol. 84, no. 3, pp. 16.

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Cited 20 times in Scopus20

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Hansen, J, Todd, B and Daivis, P 2011, 'Prediction of fluid velocity slip at solid surfaces', Physical Review E, vol. 84, no. 1, pp. 18.

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Cited 41 times in Scopus41

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Kannam, S, Todd, B, Hansen, J and Daivis, P 2011, 'Slip flow in graphene nanochannels', Journal of Chemical Physics, vol. 135, no. 14, pp. 19.

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Cited 43 times in Scopus43

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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. 321330.

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Cited 7 times in Scopus7

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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. 112.

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Cited 9 times in Scopus9

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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. 613.

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Cited 2 times in Scopus2

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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. 116.

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Cited 17 times in Scopus17

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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. 14490611449067.

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Cited 19 times in Scopus19

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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. 110.

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Cited 17 times in Scopus17

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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. 110.

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Cited 4 times in Scopus4

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Hansen, J, Daivis, P and Todd, B 2009, 'Molecular spin in nanoconfined fluidic flows', Microfluidics and Nanofluidics, vol. 6, no. 6, pp. 785795.

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Cited 16 times in Scopus16

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Hansen, J, Daivis, P and Todd, B 2009, 'Viscous properties of isotropic fluids composed of linear molecules: Departure from the classical NavierStokes theory in nanoconfined geometries', Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), vol. 80, no. 4, pp. 04632210463229.

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Cited 12 times in Scopus12

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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. 11.

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Cited 15 times in Scopus15

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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. 112.

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Cited 8 times in Scopus8

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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. 66707106670710.

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Cited 8 times in Scopus8

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Todd, B, Hansen, J and Daivis, P 2008, 'Nonlocal shear stress for homogeneous fluids', Physical Review Letters, vol. 100, no. 19, pp. 14.

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Cited 49 times in Scopus49

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Daivis, P 2008, 'Thermodynamic relationships for shearing linear viscoelastic fluids', Journal of NonNewtonian Fluid Mechanics, vol. 152, no. 13, pp. 120128.

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Cited 10 times in Scopus10

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Snook, I, Daivis, P and Kairn, T 2008, 'The flow of colloids and polymers in channels simulated using nonequilibrium molecular dynamics', Journal of Physics: Condensed Matter, vol. 20, pp. 18.

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Cited 2 times in Scopus2

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Cadusch, P, Todd, B, Zhang, J and Daivis, P 2008, 'A nonlocal hydrodynamic model for the shear viscosity of confined fluids: analysis of a homogeneous kernel', Journal of Physics A: Mathematical and Theoretical, vol. 41, pp. 123.

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Cited 19 times in Scopus19

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Hansen, J, Daivis, P and Todd, B 2007, 'Local linear viscoelasticity of confined fluids', Journal of Chemical Physics, vol. 126, pp. 17.

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Cited 13 times in Scopus13

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Daivis, P, Matin, M and Todd, B 2007, 'Nonlinear shear and elongational rheology of model polymer melts at low strain rates', Journal Of NonNewtonian Fluid Mechanics, vol. 147, pp. 3544.

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Cited 22 times in Scopus22

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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. 041121.1041121.8.

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Cited 30 times in Scopus30

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Todd, B and Daivis, P 2007, 'Homogenous nonequilibrium molecular dynamics simulations of viscous flow: techniques and applications', Molecular Simulation, vol. 33, pp. 189229.

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Cited 72 times in Scopus72

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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. 114.

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Cited 17 times in Scopus17

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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. 19410311941039.

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Cited 34 times in Scopus34

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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. 031201103120113.

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Cited 19 times in Scopus19

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Kairn, T, Daivis, P, Ivanov, I and Bhattacharya, S 2005, 'Moleculardynamics simulation of model polymer nanocomposite rheology and comparison with experiment', Journal of Chemical Physics, vol. 123, no. 19, pp. 19490511949057.

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Cited 38 times in Scopus38

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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. 10751084.

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Cited 6 times in Scopus6

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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. 85318540.

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Cited 4 times in Scopus4

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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. 24532464.

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Cited 16 times in Scopus16

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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. 3546.

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Cited 9 times in Scopus9

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Daivis, P, Matin, M and Todd, B 2003, 'Nonlinear shear and elongational rheology of model polymer melts by nonequilibrium molecular dynamics', Journal of NonNewtonian Fluid Mechanics, vol. 111, no. 1, pp. 118.

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Cited 55 times in Scopus55

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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. 275285.

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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. 103104, pp. 405421.

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Cited 13 times in Scopus13

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Daivis, P and Matin, M 2003, 'Steadystate thermodynamics of shearing linear viscoelastic fluids', Journal of Chemical Physics, vol. 118, no. 24, pp. 1111111119.

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Cited 14 times in Scopus14

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McPhie, M, Daivis, P, Snook, I, Ennis, J and Evans, D 2001, 'Generalized Langevin equation for nonequilibrium systems', Physica A, vol. 299, no. 34, pp. 412426.

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Cited 14 times in Scopus14

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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, 1216 December 2011, pp. 516522.

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Cited 2 times in Scopus2


Charles, A and Daivis, P 2009, 'Smooth particle methods for liquidvapour 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. 303309.

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Le, T, Todd, B, Daivis, P and Uhlherr, A 2008, 'Rheology and structural properties of hyperbranched polymers: A nonequilibrium 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, 38 August 2008, pp. 433435.

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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, 36 February 2004.

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