Book contents
- Frontmatter
- Contents
- Preface
- 1 Introduction
- 2 Nonequilibrium Thermodynamics and Continuum Mechanics
- 3 Statistical Mechanical Foundations
- 4 Temperature and Thermodynamic Fluxes
- 5 Homogeneous Flows for Atomic Fluids: Theory
- 6 Homogeneous Flows for Atomic Fluids: Applications
- 7 Homogeneous Heat and Mass Transport
- 8 Homogeneous Flows for Molecular Fluids
- 9 Inhomogeneous Flows for Atomic Fluids
- 10 Confined Molecular Fluids
- 11 Generalised Hydrodynamics and Slip
- Bibliography
- Index
- References
Bibliography
Published online by Cambridge University Press: 30 March 2017
Book contents
- Frontmatter
- Contents
- Preface
- 1 Introduction
- 2 Nonequilibrium Thermodynamics and Continuum Mechanics
- 3 Statistical Mechanical Foundations
- 4 Temperature and Thermodynamic Fluxes
- 5 Homogeneous Flows for Atomic Fluids: Theory
- 6 Homogeneous Flows for Atomic Fluids: Applications
- 7 Homogeneous Heat and Mass Transport
- 8 Homogeneous Flows for Molecular Fluids
- 9 Inhomogeneous Flows for Atomic Fluids
- 10 Confined Molecular Fluids
- 11 Generalised Hydrodynamics and Slip
- Bibliography
- Index
- References
Summary
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- Nonequilibrium Molecular DynamicsTheory, Algorithms and Applications, pp. 335 - 354Publisher: Cambridge University PressPrint publication year: 2017
References
[1] and . Homogeneous non-equilibrium molecular dynamics simulations of viscous flow: techniques and applications. Mol. Simul., 33: 189, 2007.Google Scholar
[2] and . Statistical Mechanics of Nonequilibrium Liquids. Cambridge University Press, Cambridge, 2nd edition, 2008.
[3]
Statistical Mechanics. Harper Collins, New York, 1976.
[4] and . Non-Equilibrium Thermodynamics. Dover, New York, 1984.
[5] and . Computer Simulation of Liquids. Clarendon Press, Oxford, 1987.
[6]
The Art of Molecular Dynamics Simulation. Cambridge University Press, Cambridge, 1995.
[7] and . Understanding Molecular Simulation: From Algorithms to Applications. Academic Press, San Diego, 2002.
[8]
Molecular Simulation of Fluids: Theory, Algorithms and Object-Orientation. Elsevier, Amsterdam, 1999.
[10]
Correlations in the motion of atoms in liquid argon. Phys. Rev., 136: A105, 1964.Google Scholar
[11]
Computer “experiments” on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules. Phys. Rev., 159: 98, 1967.Google Scholar
[12] , , and . Studies in molecular dynamics. VIII. The transport coefficients for a hard-sphere fluid. J. Chem. Phys., 53: 3813, 1970.Google Scholar
[13]
Markoff random processes and the statistical mechanics of time-dependent phenomena. II. Irreversible processes in fluids. J. Chem. Phys., 22: 398, 1954.Google Scholar
[14]
Statistical-mechanical theory of irreversible processes. 1. General theory and simple applications to magnetic and conduction problems. J. Phys. Soc. Japan, 12: 570, 1957.Google Scholar
[15] and . The computer study of transport processes under extreme conditions. J. Phys. C, 5: 1921, 1972.Google Scholar
[16] , , and . On the calculation by molecular dynamics of the shear viscosity of a simple fluid. Mol. Phys., 26: 1475, 1973.Google Scholar
[17] and
Dense-fluid shear viscosity via nonequilibrium molecular dynamics. Phys. Rev. A, 11: 658, 1975.Google Scholar
[19]
Nonequilibrium molecular dynamics: the first 25 years. Physica A, 194: 450, 1993.Google Scholar
[20] , , , , , and . Lennard-Jones triple-point bulk and shear viscosities. Green–Kubo theory, Hamiltonian mechanics, and nonequilibrium molecular dynamics. Phys. Rev. A, 22: 1690, 1980.Google Scholar
[21] and
Nonlinear-response theory for steady planar Couette flow. Phys. Rev. A, 30(3): 1528, 1984.Google Scholar
[22] and . Direct computation of dynamical response by molecular dynamics: The mobility of a charged Lennard-Jones particle. Phys. Rev. Lett., 35: 789, 1975.Google Scholar
[23] and
Transient-time-correlation functions and the rheology of fluids. Phys. Rev. A, 38: 4142, 1988.Google Scholar
[24] . Reversing the perturbation in nonequilibrium molecular dynamics: An easy way to calculate the shear viscosity of fluids. Phys. Rev. E, 59: 4894, 1999.Google Scholar
[25] , , and . On the molecular mechanism of thermal diffusion in liquids. Mol. Phys., 80: 1389, 1993.Google Scholar
[26] , , and . Extended Irreversible Thermodynamics. Springer, 4th edition, 2010.
[27] . Beyond Equilibrium Thermodynamics. John Wiley & Sons, Hoboken, New Jersey, 2005.
[28] , , and . Dynamics of Polymeric Liquids, Volume 1 Fluid Mechanics. John Wiley & Sons, New York, 2nd edition, 1987.
[29]
and
Dynamics of Polymeric Liquids, Volume 2 Kinetic Theory. John Wiley & Sons, New York, 2nd edition, 1987.
[30]
Engineering Rheology. Oxford University Press, 2nd edition, 2000.
[31] and
Fluid Mechanics of Viscoelasticity. Elsevier, Amsterdam, 1997.
[32] and
The Non-Linear Field Theories of Mechanics. Springer-Verlag, 3rd edition, 2004.
[33]
Crystal Physics. W. A. Benjamin Inc., 1974.
[34] and
The Physics of Liquid Crystals. Oxford University Press, 2nd edition, 1993.
[35] and
Irreversible thermodynamics of a fluid system with spin. J. Chem. Phys., 46: 3163, 1967.Google Scholar
[36] and
Transport properties of homonuclear diatomics II. Dense fluids. Mol. Phys., 36: 161, 1978.Google Scholar
[37]
Introduction to Nonequilibrium Statistical Mechanics. Prentice Hall, New Jersey, 1989.
[38]
Nonequilibrium Statistical Mechanics: Ensemble Method. Kluwer Academic, 1998.
[39]
Nonequilibrium Statistical Mechanics. Oxford University Press, 2001.
[40]
and
Statistical Mechanics of Nonequilibrium Processes. Akademie Verlag, 1996.
[41]
Chaos, Scattering and Statistical Mechanics. Cambridge University Press, 1998.
[42]
Classical Mechanics. Addison-Wesley, Reading, MA, 1980.
[43]
The Principles of Statistical Mechanics. Dover reprinting of the 1938 edition published by Oxford University Press, 1979.
[44] and Time-dependent response theory and nonequilibrium freeenergy relations. Phys. Rev. E, 78: 021119, 2008.
[45] and
Nonlinear effects in shear viscosity of critical mixtures. Prog. Theor. Phys., 38: 1031, 1967.Google Scholar
[46] and
Application of mode-coupling theory to nonlinear stress tensor in fluids. Prog. Theor. Phys., 53: 111, 1975.Google Scholar
[47] and
Theory of nonlinear transport processes: Nonlinear shear viscosity and normal stress effects. Phys. Rev. A, 8: 2048, 1973.Google Scholar
[48]
Transport processes in solids and linear-response theory. Phys. Rev. A, 10: 2461, 1974.Google Scholar
[52] and
Application of transient correlation-functions to shear-flow far from equilibrium. Phys. Rev. A, 35: 792, 1987.Google Scholar
[53]
Application of transient time correlation functions to nonequilibrium molecular dynamics simulations of elongational flow. Phys. Rev. E, 56: 6723–6728, 1997.Google Scholar
[54] and
Nonlinear response for time-dependent external fields. Phys. Rev. Lett., 78: 1199, 1997.Google Scholar
[56] and
Approach to the non-equilibrium time-periodic state in a “steady” shear flow model. Mol. Phys., 95: 219, 1998.Google Scholar
[57] and
Nonlinear response theory for time-dependent external fields: Shear flow and color conductivity. Int. J. Thermophys., 19: 1049, 1998.Google Scholar
[58] and
Time dependent nonlinear response theory. Trends in Statistical Physics, 2: 85, 1998.Google Scholar
[59] and
The Kawasaki distribution function for nonautonomous systems. Phys. Rev. E, 58: 2624, 1998.Google Scholar
[60]
Nonlinear response theory for time-periodic elongational flows. Phys. Rev. E, 58: 4587, 1998.Google Scholar
[61] and
Theory of Simple Liquids. Academic Press, New York, 1986.
[62]
The Liquid State: Applications of Molecular Simulations. Wiley, Chichester, 1997.
[63] and
Comparison of constant pressure and constant volume nonequilibrium simulations of sheared model decane. J. Chem. Phys., 100: 541, 1994.Google Scholar
[64]
and
Probability of 2nd law violations in shearing steady-states. Phys. Rev. Lett., 71: 2401, 1993.Google Scholar
[66]
and
Role of repulsive forces in determining the equilibrium structure of simple liquids. J. Chem. Phys., 54: 5237, 1971.Google Scholar
[67] and
Equilibrium microstates which generate second law violating steady states. Phys. Rev. E, 50: 1645, 1994.Google Scholar
[68] and
Dynamical ensembles in nonequilibrium statistical mechanics. Phys. Rev. Lett., 74: 2694, 1995.Google Scholar
[69]
and
Experimental demonstration of violations of the second law of thermodynamics for small systems and short time scales. Phys. Rev. Lett., 89: 050601, 2002.Google Scholar
[72]
and
The nonequilibrium thermodynamics of small systems. Physics Today, 58: 43, 2005.Google Scholar
[73]
and
Fundamentals of Classical Statistical Thermodynamics: Dissipation, Relaxation and Fluctuation Theorems. Wiley, 2016.
[74]
and
Application of the Gallavotti-Cohen fluctuation relation to thermostated steady states near equilibrium. Phys. Rev. E, 71: 056120, 2005.Google Scholar
[75]
and
On the fluctuation theorem for the dissipation function and its connection with response theory. J. Chem. Phys., 128: 014504, 2008.Google Scholar
[76]
Nonequilibrium equality for free energy differences. Phys. Rev. Lett., 78: 2690, 1997.Google Scholar
[77]
Equilibrium free-energy differences from nonequilibrium measurements: A master-equation approach. Phys. Rev. E, 56: 5018, 1997.Google Scholar
[78]
Entropy production fluctuation theorem and the nonequilibrium work relation for free energy differences. Phys. Rev. E, 60: 2721, 1999.Google Scholar
[79]
Nonequilibrium measurements of free energy differences for microscopically reversible Markovian systems. J. Stat. Phys., 90: 1481, 1998.Google Scholar
[80] and
Temperature in non-equilibrium states: a review of open problems and current proposals. Rep. Prog. Phys., 66: 1937, 2003.Google Scholar
[81]
and
Microscopic expressions for the thermodynamic temperature. Phys. Rev. E, 62: 4757, 2000.Google Scholar
[82] and
Temperature in the classical microcanonical ensemble. J. Chem. Phys., 114: 4333, 2001.Google Scholar
[84]
Temperature of nonequilibrium steady-state systems. Phys. Rev. E, 62: 5989, 2000.Google Scholar
[85] and
The statistical mechanical theory of transport processes. 4. The equations of hydrodynamics. J. Chem. Phys., 18: 817, 1950.Google Scholar
[87] and
Microscopic study of steady convective flow in periodic systems. Phys. Rev. E, 56: 476, 1997.Google Scholar
[88]
and
Heat flux vector in highly inhomogeneous nonequilibrium fluids. Phys. Rev. E, 51: 4362, 1995.Google Scholar
[89]
and
A technique for the calculation of mass, energy and momentum densities at planes in molecular dynamics simulations. J. Chem. Phys., 104: 9651, 1996.Google Scholar
[90] and
Method for determining the shear stress in cylindrical systems. Phys. Rev. E, 67: 041206, 2003.Google Scholar
[91]
and
The method of planes pressure tensor for a spherical subvolume. J. Chem. Phys., 140: 054506, 2014.Google Scholar
[92]
and
The equivalence between volume averaging and method of planes definitions of the pressure tensor. J. Chem. Phys., 135: 024512, 2011.Google Scholar
[93]
Formulas for determining local properties in molecular-dynamics simulations: Shock waves. J. Chem. Phys., 76: 622, 1982.Google Scholar
[94]
and
Stress calculation in atomistic simulations of perfect and imperfect solids. J. Appl. Phys., 89: 99, 2001.Google Scholar
[95]
and
A method-of-planes approach for the calculation of position-dependent self-diffusion coefficients in confined fluids. Unpublished.
[96]
and
Departure from Navier-Stokes hydrodynamics in confined liquids. Phys. Rev. E, 55: 4288, 1997.Google Scholar
[97] and
Shear viscosity of model mixtures by nonequilibrium molecular dynamics. I. Argon-krypton mixtures. J. Chem. Phys., 99: 3919, 1993.Google Scholar
[98] and
Effect of three-body forces on the shear viscosity of liquid argon. J. Chem. Phys., 101: 6206, 1994.Google Scholar
[99]
and
Analytic dependence of the pressure and energy of an atomic fluid under shear. Phys. Rev. E, 63: 021204, 2001.Google Scholar
[100] and
Pressure tensor and heat flux vector for confined nonequilibrium fluids under the influence of three-body forces. Phys. Rev. E, 69: 031111, 2004.Google Scholar
[101]
and
Liquid argon: Monte Carlo and molecular dynamics calculations. Mol. Phys., 21: 657, 1971.Google Scholar
[102] and
Interaction of the van der Waals’ type between three atoms. J. Chem. Phys., 11: 299, 1943.Google Scholar
[103]
and
Contribution of inter- and intramolecular energy transfers to heat conduction in liquids. J. Chem. Phys., 128: 044504, 2008.Google Scholar
[104]
Stress and elastic constants in anisotropic solids: Molecular dynamics techniques. J. Appl. Phys., 64: 1152, 1988.Google Scholar
[105]
and
Control-volume representation of molecular dynamics. Phys. Rev. E, 85: 056705, 2012.Google Scholar
[106]
The calculation of optical and electrostatic grid potential. Ann. Phys. (Leipzig), 64: 253, 1921.Google Scholar
[107]
Summation of Coulomb fields in computer-simulated disordered systems. Physica A, 176: 485, 1991.Google Scholar
[108]
Coulomb forces and potentials in systems with an orthorhombic unit cell. Molec. Simul., 20: 357, 1998.Google Scholar
[109]
Reconstruction of NaCl surfaces from a dipolar solution to the Madelung problem. Phys. Rev. Lett., 68: 3315, 1992.Google Scholar
[110]
and
Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r−1 summation. J. Chem. Phys., 110: 8254, 1999.Google Scholar
[112] and
Monte-Carlo studies of dielectric properties of water-like models. Mol. Phys., 26: 789, 1973.Google Scholar
[113]
Electrostatic potentials and fields in infinite point charge lattices. J. Chem. Phys., 74: 1924, 1981.Google Scholar
[114]
and
Non-equilibrium molecular dynamics simulation of the shear viscosity of liquid methanol: Adaption of the Ewald sum to Lees-Edwards boundary conditions. Mol. Phys., 92: 55, 1997.Google Scholar
[115]
and
Molecular dynamics simulation of the orthobaric densities and surface tension of water. J. Chem. Phys., 102: 4574, 1995.Google Scholar
[116]
Pressure tensor of partial-charge and point-dipole lattices with bulk and surface geometries. Phys. Rev. B, 49: 755, 1994.Google Scholar
[117] and
Constant pressure molecular dynamics for molecular systems. Molec. Phys., 50: 1055, 1983.Google Scholar
[118]
, and
Thermal conductivity of molten alkali halides from equilibrium molecular dynamics simulations. J. Chem. Phys., 120: 8676, 2004.Google Scholar
[120]
Electrostatic potential in surface region of an ionic-crystal. Surf. Sci., 49: 433, 1975.Google Scholar
[122]
and
Molecular-dynamics computer-simulation of surface properties of crystalline potassium-chloride. Faraday Trans. II, 73: 1485, 1977.Google Scholar
[123] and
A comparison of Coulombic interaction methods in nonequilibrium studies of heat transfer in water. J. Chem. Phys., 135: 234111, 2011.Google Scholar
[124] and
Is the Ewald summation still necessary? pairwise alternatives to the accepted standard for long-range electrostatics. J. Chem. Phys., 124: 234104, 2006.Google Scholar
[126]
and
Simulation of two- and three-dimensional dense-fluid shear flows via nonequilibrium molecular dynamics: Comparison of time-andspace-averaged stresses from homogeneous Doll's and Sllod shear algorithms with those from boundary-driven shear. Phys. Rev. E, 78: 046701, 2008.Google Scholar
[127]
Equations of motion for non-equilibrium molecular dynamics simulations of viscous flow in molecular fluids. Mol. Phys., 53: 459, 1984.Google Scholar
[128] and
A simple, direct derivation and proof of the validity of the SLLOD equations of motion for generalised homogeneous flows. J. Chem. Phys., 124: 194103, 2006.Google Scholar
[129] and
Extensional motions of spatially periodic lattices. Int. J. Multiphase Flow, 18: 1045, 1992.Google Scholar
[130] and
Nonequilibrium molecular dynamics simulations of planar elongational flow with spatially and temporally periodic boundary conditions. Phys. Rev. Lett., 81: 1118, 1998.Google Scholar
[131] and
A new algorithm for unrestricted duration molecular dynamics simulations of planar elongational flow. Computer Physics Communications, 117: 191, 1999.Google Scholar
[132] and
The stability of nonequilibrium molecular dynamics simulations of elongational flows. J. Chem. Phys., 112: 40, 2000.Google Scholar
[133] and
Steady state simulation of planar elongation flow by nonequilibrium molecular dynamics. J. Chem. Phys., 110: 42, 1999.Google Scholar
[134]
and
A new algorithm for extended nonequilibrium molecular dynamics simulations of mixed flow. J. Chem. Phys., 133: 154116, 2010.Google Scholar
[137]
and
A proper approach for nonequilibrium molecular dynamics simulations of planar elongational flow. J. Chem. Phys., 122: 114103, 2005.Google Scholar
[138]
and
An examination of the validity of nonequilibrium molecular-dynamics simulation algorithms for arbitrary steady-state flows. J. Chem. Phys., 123: 114106, 2005.Google Scholar
[139]
and
A validation of the p-SLLOD equations of motion for homogeneous steady-state flows. J. Chem. Phys., 124: 194104, 2006.Google Scholar
[140] and
A reversible problem in non-equilibrium thermodynamics: Hamiltonian evolution equations for non-equilibrium molecular dynamics simulations. J. Non-Newtonian Fluid Mech., 96: 163, 2001.Google Scholar
[141]
and
Shear viscosity of a simple fluid over a wide range of strain rates. Mol. Phys., 100: 2735, 2002.Google Scholar
[142] and
On the Arnold cat map and periodic boundary conditions for planar elongational flow. Mol. Phys., 101: 3445, 2003.Google Scholar
[143]
Cats, maps and nanoflows: Some recent developments in nonequilibrium nanofluidics. Mol. Simul., 31: 411, 2005.Google Scholar
[144]
and
Chaotic properties of planar elongational flows and planar shear flows: Lyapunov exponents, conjugate-pairing rule and phase space contraction. Phys. Rev. E, 73: 046206, 2006.Google Scholar
[145]
and
An efficient parallel algorithm for non-equilibrium molecular dynamics simulations of very large systems in planar Couette flow. Mol. Phys., 88: 1665, 1996.Google Scholar
[146] and
A parallel algorithm for nonequilibrium molecular dynamics simulation of shear flow on distributed memory machines. Mol. Simul., 13: 375, 1994.Google Scholar
[147] and
Elongational viscosities from nonequilibrium molecular dynamics simulations of oscillatory elongational flow. J. Chem. Phys., 107: 1617, 1997.Google Scholar
[148] and
Nonequilibrium molecular dynamics study of shear and shear-free flows in simple fluids. J. Chem. Phys., 103: 10217, 1995.Google Scholar
[149]
Chaos and Time Series Analysis. Oxford University Press, Oxford, 2003.
[150] and
Introduction to the Modern Theory of Dynamical Systems. Cambridge University Press, Cambridge, 1995.
[151]
and
Boundary condition independence of molecular dynamics simulations of planar elongational flow. Phys. Rev. E, 75: 066702, 2007.Google Scholar
[152]
and
Chaotic properties of isokinetic-isobaric atomic systems under planar shear and elongational flows. Phys. Rev. E, 77: 056217, 2008.Google Scholar
[153]
and
Nonequilibrium molecular dynamics via Gauss's principle of least constraint. Phys. Rev. A, 28: 1016, 1983.Google Scholar
[154]
A unified formulation of the constant temperature molecular-dynamics methods. J. Chem. Phys., 81: 511, 1984.Google Scholar
[155]
A molecular-dynamics method for simulations in the canonical ensemble. Mol. Phys., 52: 255, 1984.Google Scholar
[156]
Canonical dynamics: Equilibrium phase-space distributions. Phys. Rev. A, 31: 1695, 1985.Google Scholar
[157]
and
Configurational temperature: Verification of Monte Carlo simulations. J. Chem. Phys., 109: 6519, 1998.Google Scholar
[158] and
Configurational temperature for systems with constraints. Phys. Rev. E, 62: 4764, 2000.Google Scholar
[159] and
Configurational temperature thermostat for fluids undergoing shear flow: application to liquid chlorine. Mol. Phys., 99: 1825, 2001.Google Scholar
[160]
and
Configurational thermostats for molecular systems. Mol. Phys., 100: 2387, 2002.Google Scholar
[161] and
Correspondence between configurational temperature and molecular kinetic temperature thermostats. J. Chem. Phys., 117: 6016, 2002.Google Scholar
[162] and
A configurational temperature Nosé-Hoover thermostat. J. Chem. Phys., 123: 134101, 2005.Google Scholar
[163] and
Configurational temperature and pressure molecular dynamics: review of current methodology and applications to the shear flow of a simple fluid. Mol. Phys., 104: 3735, 2006.Google Scholar
[164] and
Configurational temperature control for atomic and molecular systems. J. Chem. Phys., 128: 014111, 2008.Google Scholar
[165] and
Shear viscosities away from the melting line a comparison of equilibrium and non-equilibrium molecular-dynamics. J. Chem. Phys., 78: 5147, 1983.Google Scholar
[167] and
Equivalence of thermostatted nonlinear responses. Phys. Rev. E, 48: 65, 1993.Google Scholar
[168]
and
Investigation of the homogeneous-shear nonequilibrium-molecular-dynamics method. Phys. Rev. A, 45: 3706, 1992.Google Scholar
[170]
and
Effect of kinetic and configurational thermostats on claculations of the first normal stress coefficient in nonequilibrium molecular dynamics simulations. Phys. Rev. E, 86: 056707, 2012.Google Scholar
[171]
Time dependence of phase variables in a steady shear flow algorithm. Phys. Rev. E, 71: 011202, 2005.Google Scholar
[172] and
Frequency dependent elongational viscosity by nonequilibrium molecular dynamics. Int. J. Thermophys., 19: 1063, 1998.Google Scholar
[173] and
New algorithm for constrained molecular-dynamics simulation of liquid benzene and naphthalene. Molec. Phys., 70(1): 53, 1990.Google Scholar
[174]
and
New observations regarding deterministic, time-reversible thermostats and Gauss's principle of least constraint. J. Chem. Phys., 122: 194106, 2005.Google Scholar
[176]
and
Viscosity of a simple fluid from its maximal Lyanpunov exponents. Phys. Rev. A, 42: 5990, 1990.Google Scholar
[177]
and
Conjugate pairing rule and thermal-transport coefficients. Phys. Rev. A, 45: 2233–2242, 1992.Google Scholar
[178] and
Applicability of Nosé isothermal reversible dynamics. Phys. Rev. E, 48: 1726, 1993.Google Scholar
[179]
and
Thermostatted molecular-dynamics – how to avoid the Toda demon hidden in Nosé-Hoover dynamics. Phys. Rev. E, 52: 2338, 1995.Google Scholar
[180] and
Canonical molecular-dynamics of molecules with internal degrees of freedom. Ber. Bunsenges. Phys. Chem., 93: 274, 1990.Google Scholar
[181]
and
Nosé-Hoover chains: The canonical ensemble via continuous dynamics. J. Chem. Phys., 97: 2635, 1992.Google Scholar
[182]
Nosé-Hoover chain method for nonequilibrium molecular dynamics simulation. Phys. Rev. E, 61: 4769, 2000.Google Scholar
[183]
and
Generalization of the Nosé-Hoover approach. J. Chem. Phys., 119: 1929, 2003.Google Scholar
[184]
Shear viscosity of the hard-sphere fluid via nonequilibrium moleculardynamics. Phys. Rev. Lett., 52: 1333, 1984.Google Scholar
[185] and
Shear thickening and turbulence in simple fluids. Phys. Rev. Lett., 56: 2172, 1986.Google Scholar
[186]
and
Reexamination of string phase and shear thickening in simple fluids. Phys. Rev. E, 68: 031201, 2003.Google Scholar
[187] and
Rheology of dense model fluids via nonequilibrium molecular dynamics – shear thinning and ordering transition. Rheol. Acta, 28: 91, 1989.Google Scholar
[188]
and
Conditions for the existence of a reentrant solid-phase in a sheared atomic fluid. Phys. Rev. A, 46: 6731, 1992.Google Scholar
[189]
and
On the effects of assuming flow profiles in nonequilibrium simulations. J. Chem. Phys., 119: 11005, 2003.Google Scholar
[190] and
Comparison of thermostatting mechanisms in NVT and NPT simulations of decane under shear. J. Chem. Phys., 115: 43, 2001.Google Scholar
[192] and
Configurational constant pressure molecular dynamics. J. Chem. Phys., 124: 104102, 2006.Google Scholar
[193]
and
Modified nonequilibrium molecular dynamics for fluid flows with energy conservation. J. Chem. Phys., 106: 5615, 1997.Google Scholar
[195]
and
Hoover NPT dynamics for systems varying in shape and size. Mol. Phys., 78: 533, 1993.Google Scholar
[196]
Private communication.
[197]
and
Nonlinear shear and elongational rheology of model polymer melts by non-equilibrium molecular dynamics. J. Non-Newtonian Fluid Mech., 111: 1, 2003.Google Scholar
[198] and
Molecular dynamics simulation of planar elongational flow at constant pressure and constant temperature. J. Chem. Phys., 126: 044506, 2007.Google Scholar
[199]
and
Stretching of a single tethered polymer in a uniform flow. Science, 268: 83, 1995.Google Scholar
[200]
Periodic boundary conditions for long-time nonequilibrium molecular dynamics simulations of incompressible flows. J. Chem. Phys., 141: 184103, 2014.Google Scholar
[201]
Periodic boundary conditions for the simulation of uniaxial extensional flow of arbitrary duration. Molec. Simul., 42: 347, 2016.Google Scholar
[202] , and
Linear viscoelastic behavior of unentangled polymer melts via non-equilibrium molecular dynamics. Macromol. Theory Simul., 13: 748, 2004.Google Scholar
[203]
and
An Introduction to Rheology. Elsevier, Amsterdam, 1989.
[204]
and
Brownian dynamics simulations of planar mixed flows of polymer solutions at finite concentrations. Chem. Eng. Sci., 121: 245, 2015.Google Scholar
[205] and
Spatially periodic suspensions of convex particles in linear shear flows. 1. Description and kinematics. Int. J. Multiphase Flow, 11: 361, 1985.Google Scholar
[206]
and
Spatially periodic suspensions of convex particles in linear shear flows. Int. J. Multiphase Flow, 11: 387, 1985.Google Scholar
[207]
and
Energy and pressure of fluids under shear at different state points. Phys. Rev. E, 64: 021201, 2001.Google Scholar
[208]
and
Erratum: Energy and pressure of fluids under shear at different state points. Phys. Rev. E, 65: 069901(E), 2002.Google Scholar
[209]
and
Scaling behaviour for the pressure and energy of shearing fluids. Phys. Rev. E, 67: 061201, 2003.Google Scholar
[210]
Power-law exponents for the shear viscosity of non-Newtonian simple fluids. Phys. Rev. E, 72: 041204, 2005.Google Scholar
[211] and
Universal scaling law for energy and pressure in a shearing fluid. Phys. Rev. E, 79: 052201, 2009.Google Scholar
[212]
and
Strain rate dependent properties of a simple fluid. Mol. Phys., 95: 195, 1998.Google Scholar
[213]
and
Shear-rate dependence of the viscosity of the Lennard-Jones liquid at the triple point. Phys. Rev. A, 44: 6936, 1991.Google Scholar
[214]
Thermodynamic relationships for shearing linear viscoelastic fluids. J. Non-Newtonian Fluid Mech., 152: 120, 2008.Google Scholar
[216]
Theory and Problems of Vector Analysis and an Introduction to Tensor Analysis. McGraw-Hill, Singapore, 1974.
[217]
and
Nonlinear shear and elongational rheology of model polymer melts at low strain rates. J. Non-Newtonian Fluid Mech., 147: 35, 2007.Google Scholar
[218]
and
Equilibrium and nonequilibrium molecular dynamics methods for detemining solid-liquid phase coexistence at equilibrium. J. Chem. Phys., 119(21): 11017, 2003.Google Scholar
[219]
and
Various aspects of non-equilibrium molecular dynamics simulation of polymer rheology. Swinburne University Internal Report, 2003.Google Scholar
[220]
The Molecular Theory of Fluids. North-Holland Interscience, New York, 1952.
[221]
The Liquid State. Hutchinson University Library, London, 1966.
[222] and
Equilibrium and non-equilibrium radial distribution functions in mixtures. Mol. Phys., 39: 1039, 1980.Google Scholar
[223]
Shear-flow-induced distortion of the pair-correlation function. Phys. Rev. A, 22: 2844, 1980.Google Scholar
[224]
Similarities and differences in the non-linear flow behavior of simple and molecular liquids. Physica A, 118: 79, 1983.Google Scholar
[225]
and
Distribution functions of a simple fluid under shear: Low shear rates. Phys. Rev. E, 60: 1716, 1999.Google Scholar
[226] and
Theory of the nonequilibrium structure of dense simple fluids – effects of shearing. Phys. Rev. A, 45: 3670, 1992.Google Scholar
[227] and
Theory of the nonequilibrium structure of dense simple fluids – effects of shearing. 2. High-shear-rate effects. Phys. Rev. A, 46: 6344, 1992.Google Scholar
[228]
The State Point Dependence of Classical Fluids under Shear. PhD thesis, Swinburne University of Technology, 2004.
[229] and
Rheology of liquid fcc metals: Equilibrium and transient-time correlation-function nonequilibrium molecular dynamics simulations. Phys. Rev. B, 78: 184202, 2008.Google Scholar
[230] and
Shear viscosity of liquid copper at experimentally accessible shear rates: Application of the transient-time correlation function formalism. J. Chem. Phys., 128: 084506, 2008.Google Scholar
[231] and
Molecular simulation of transport in nanopores: Application of the transient-time correlation function formalism. Phys. Rev. E, 77: 027701, 2008.Google Scholar
[232] and
Estimating the conductivity of a nanoconfined liquid subjected to an experimentally accessible external field. Mol. Simul., 34: 177, 2008.Google Scholar
[233] and
Prediction of viscosity for molecular fluids at experimentally accessible shear rates using the transient time correlation function formalism. J. Chem. Phys., 125: 194527, 2006.Google Scholar
[234]
and
Transient-time correlation function applied to mixed shear and elongational flows. J. Chem. Phys., 136: 064105, 2012.Google Scholar
[235]
Homogeneous NEMD algorithm for thermal conductivity application of noncanonical linear response theory. Phys. Lett. A, 91: 457, 1982.Google Scholar
[236]
Long-time tails of the Green – Kubo integrands for a binary mixture. J. Stat. Phys., 57: 675, 1989.Google Scholar
[240]
and
Equilibrium and nonequilibrium molecular dynamics simulations of the thermal conductivity of molten alkali halides. J. Chem. Phys., 126: 204511, 2007.Google Scholar
[241] and
Diffusion in Liquids. Elsevier, 1984.
[242] and
Heat and matter transport in binary-liquid mixtures. Phys. Rev. A, 34: 2133, 1986.Google Scholar
[243]
and
Recent developments in non-Newtonian molecular dynamics. Phys. Rep., 305: 1, 1998.Google Scholar
[244] and
Heat flow and mass diffusion in binary Lennard-Jones mixtures. Phys. Rev. A, 45: 2370, 1992.Google Scholar
[245] and
Heat flow and mass diffusion in binary Lennard-Jones mixtures. II. Phys. Rev. A, 46: 1960, 1992.Google Scholar
[246]
and
J. Phys. Chem., 97: 4173, 1993.
[247] and
Molecular dynamics simulations of multicomponent diffusion. 2. Nonequilibrium method. J. Phys. Chem. B, 108: 18362, 2004.Google Scholar
[248] and
A comparison of NEMD algorithms for thermal conductivity. Phys. Lett. A, 117: 414, 1986.Google Scholar
[249] and
Addendum to heat and matter transport in binary-liquid mixtures. Phys. Rev. A, 36: 948, 1987.Google Scholar
[250] and
Non-equilibrium molecular dynamics algorithm for the calculation of thermal diffusion in simple fluid mixtures. Molec. Simul., 72: 893, 1991.Google Scholar
[251]
and
Flux expression and NEMD perturbations for models of semi-flexible molecules. Molec. Phys., 99(13): 1139, 2001.Google Scholar
[252]
and
A homogeneous nonequilibrium molecular dynamics method for calculating the heat transport coefficient of mixtures and alloys. J. Chem. Phys., 133: 034122, 2010.Google Scholar
[253]
and
Soret and mass diffusion measurements and molecular dynamics simulations of n-pentane and n-decane mixtures. J. Chem. Phys., 116: 3718, 2002.Google Scholar
[254] and
The statistical mechanical theory of solutions. I. J. Chem. Phys., 19: 774, 1951.Google Scholar
[255] ,
and
Computation of thermodynamic and tranport properties to predict thermophoretic effects in an argon-krypton mixture. J. Chem. Phys., 139: 144504, 2013.Google Scholar
[256] and
Theory of Simple Liquids. Academic Press, 3rd edition, 2006.
[257]
and
Kirkwood-buff integrals for finite volumes. J. Phys. Chem. Lett., 4: 235, 2013.Google Scholar
[258]
and
Improved implementation of Kirkwood-Buff solution theory in periodic molecular simulations. Phys. Rev. E, 80: 051203, 2009.Google Scholar
[259]
and
Dynamics of a model colloidal suspension from dilute to freezing. Submitted, 2016.Google Scholar
[260] and
Green–Kubo formulas for mutual difusion coefficients in multicomponent systems. J. Phys. Chem., 100: 5516, 1996.Google Scholar
[262] and
Non-equilibrium molecular dynamics calculation of thermal conductivity of flexible molecules: butane. Mol. Phys., 81: 1289, 1994.Google Scholar
[263] and
Temperature dependence of the thermal conductivity for two models of liquid butane. Chem. Phys., 198: 25, 1995.Google Scholar
[264] and
Atomic versus molecular description of transport properties in polyatomic fluids: n-butane as an illustration. Chem. Phys. Lett., 101: 548, 1983.Google Scholar
[265]
Molecular dynamics calculation of the equation of state of alkanes. J. Chem. Phys., 93(6): 4290, 1990.Google Scholar
[266]
and
Deriving effective mesoscale potentials from atomistic simulations. J. Comput. Chem., 24: 1624, 2003.Google Scholar
[267]
The relative entropy is fundamental to multiscale and inverse thermodynamic problems. J. Chem. Phys., 129: 144108, 2008.Google Scholar
[268]
and
Computer simulations of soft matter: Linking the scales. Entropy, 16: 4199, 2014.Google Scholar
[269] and
Molecular dynamics simulation of the effect of bond flexibility on the transport properties of water. J. Chem. Phys., 137: 104512, 2012.Google Scholar
[270] and
Singularity free algorithm for molecular dynamics simulation of rigid polyatomics. Molec. Phys., 34(2): 327, 1977.Google Scholar
[271]
Rheological properties via nonequilibrium molecular dynamics: From simple towards polymeric liquids. J. Non-Newtonian Fluid Mech., 23: 305, 1987.Google Scholar
[272]
Kinetic theory and rheology of dilute suspensions of finitely extendible dumbbells. Ind. Eng. Chem. Fundam., 11(3): 379, 1972.Google Scholar
[273] and
Molecular dynamics simulation for polymers in the presence of a heat bath. Phys. Rev. A, 33(5): 3628, 1986.Google Scholar
[274] and
Dynamics of entangled linear polymer melts – a moleculardynamics simulation. J. Chem. Phys., 92: 5057, 1990.Google Scholar
[275]
Langevin and Generalised Langevin Approach to the Dynamics of Atomic, Polymeric and Colloidal Systems. Elsevier, Amsterdam, 2007.
[277] and
Molecular dynamics of liquid n-butane near its boiling point. Chem. Phys. Lett., 30(1): 123, 1975.Google Scholar
[278]
and
Numerical integration of the Cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes. J. Comput. Phys., 23: 327, 1977.Google Scholar
[279]
Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations. J. Comput. Phys., 52: 24, 1983.Google Scholar
[280]
and
Explicit reversible integrators for extended systems dynamics. Molec. Phys., 87(5): 1117, 1996.Google Scholar
[281] C. J. Mundy, and M. L. Klein. Shear viscosity of polar fluids: Molecular dynamics calculations of water. J. Chem. Phys., 105(24): 11190, 1996.
[282]
and
Constrained molecular dynamics: Simulations of liquid alkanes with a new algorithm. J. Chem. Phys., 84: 6933, 1986.Google Scholar
[283] and
NEMD investigation of the rheology of oblate molecules: shear flow in liquid benzene. Molec. Phys., 71(4): 835, 1990.Google Scholar
[284]
and
Molecular dynamics of rigid systems in cartesian coordinates: A general formulation. Molec. Phys., 47(6): 1253, 1982.Google Scholar
[285] and
A constraint algorithm for the computer simulation of complex molecular liquids. Comput. Phys. Commun., 62: 267, 1991.Google Scholar
[286] and
Differences in fluid dynamics associated with an atomic versus a molecular description of the same system. J. Chem. Phys., 65: 3407, 1976.Google Scholar
[287]
Modern Theory of Polymer Solutions. Harper & Row, New York, 1971.
[288]
Atomic and molecular representations of molecular hydrodynamic variables. Mol. Phys., 52: 705, 1984.Google Scholar
[289] and
Molecular dynamics simulation of rigid molecules. Computer Physics Reports, 4: 345, 1986.Google Scholar
[291]
and
The calculation of the viscosity from the autocorrelation function using molecular and atomic stress tensors. Mol. Phys., 88: 1657, 1996.Google Scholar
[292]
Non-equilibrium molecular dynamics study of the rheological properties of diatomic liquids. Mol. Phys., 42: 1355, 1981.Google Scholar
[293]
and
Computer simulation algorithms for molecules undergoing planar Couette flow: A nonequilibrium molecular dynamics study. J. Chem. Phys., 103: 1109, 1995.Google Scholar
[294]
and
Thermostats for molecular fluids undergoing shear flow: Application to liquid chlorine. J. Chem. Phys., 103: 10638, 1995.Google Scholar
[295]
and
Erratum: Thermostats for molecular fluids undergoing shear flow: Application to liquid chlorine. J. Chem. Phys., 105: 3893, 1996.Google Scholar
[297]
and
Rheology of n-alkanes by nonequilibrium molecular dynamics. J. Chem. Phys., 86: 4555, 1987.Google Scholar
[298] and
Nonequilibrium molecular dynamics approaches to transport properties and non-newtonian fluid rheology. Ind. Eng. Chem. Res., 31: 1237, 1992.Google Scholar
[299]
On the dilatancy of media composed of rigid particles in contact. With experimental illustrations. Phil. Mag., 20(127): 469, 1885.Google Scholar
[300] and
Time correlation functions for a model of liquid carbon disulphide. Molec. Phys., 48(1): 129, 1983.Google Scholar
[301]
and
A molecular simulation study of shear viscosity and thermal conductivity of liquid carbon disulphide. J. Mol. Liq., 154: 6, 2010.Google Scholar
[302]
and
Comparison of planar Couette flow and planar elongational flow for systems of small freely jointed chain molecules. J. Chem. Phys., 113: 9122, 2000.Google Scholar
[303]
and
Erratum: “Comparison of planar Couette flow and planar elongational flow for systems of small freely jointed chain molecules” [J. Chem. Phys. 113, 9122 (2000)]. J. Chem. Phys., 115: 5338, 2001.Google Scholar
[304]
and
Cell neighbour list method for planar elongational flow: rheology of a diatomic fluid. Comput. Phys. Commun., 151: 35, 2003.Google Scholar
[305]
Coarse-graining in polymer simulation: From the atomic to the mesoscopic scale and back. ChemPhysChem, 3: 754, 2002.Google Scholar
[306] and
Coarse-grained molecular dynamics simulations of polymer melts in transient and steady shear flow. J. Chem. Phys., 118: 10276, 2003.Google Scholar
[307]
and
Rheology and structural changes of polymer melts via nonequilibrium molecular dynamics. J. Rheol., 37: 1057, 1993.Google Scholar
[308]
Viscoelastic Properties of Polymers. Wiley, New York, 1980.
[309] and
Rheological evidence for a dynamical crossover in polymer melts via nonequilibrium molecular dynamics. Phys. Rev. Lett., 85: 1128, 2000.Google Scholar
[310]
and
Viscoelastic properties of dendrimers in the melt by nonequilibrium molecular dynamics. J. Chem. Phys., 121: 12050, 2004.Google Scholar
[311] and
A comparison of model linear chain molecules with constrained and flexible bond lengths under planar Couette and extensional flows. Mol. Simul., 35: 1153, 2009.Google Scholar
[312] and
The dilational properties of suspensions of gas bubbles in incompressible Newtonian and non-Newtonian fluids. J. Non-Newtonian Fluid Mech., 3: 261, 1977/1978.Google Scholar
[313]
and
Self-diffusion of rodlike molecules in strong shear fields. J. Chem. Phys., 47: 1784, 1993.Google Scholar
[314]
Diffusion of linear polymer melts in shear and extensional flows. J. Chem. Phys., 131: 054904, 2009.Google Scholar
[315]
Mathematical and Physical Papers. Volume 1. Oxford Press, Oxford, 1880.
[316] and
Principles of Astrophysical Fluid Dynamics. Cambridge University Press, Cambridge, 1995.
[317] and
A general three-dimensional potential-flow method applied to V/STOL aerodynamics. SAE, 680304: 945, 1968.Google Scholar
[318]
Introduction to Microfluidics. Oxford University Press, New York, 2005.
[319]
Theoretical Microfluidics. Oxford University Press, New York, 2008.
[320] and
Poiseuille flow of Lennard-Jones fluids in narrow slit pores. J. Chem. Phys., 112: 1984, 2000.Google Scholar
[321] and
Generalised transport coefficients for hard spheres. Phys. Rev. A, 27: 3158, 1983.Google Scholar
[322]
and
Non-local shear stress for homogeneous fluids. Phys. Rev. Lett., 100: 195901, 2008.Google Scholar
[323]
Viscoelasticity of a simple liquid in the pre-freezing regime. Phys. Lett. A, 90: 293, 1982.Google Scholar
[324]
and
Parameterisation of the nonlocal viscosity kernel for an atomic fluid. Phys. Rev. E, 76: 041121, 2007.Google Scholar
[325] and
Generalized hydrodynamics and the acoustic modes of water – theory and simulation results. Phys. Rev. E, 51: 1091, 1995.Google Scholar
[326] and
Stress tensor and viscosity of water – molecular-dynamics and generalized hydrodynamics results. Phys. Rev. E, 52: 1699, 1995.Google Scholar
[327]
and
Viscosity kernel of molecular fluids: butane and polymer melts. Phys. Rev. E, 82: 011801, 2010.Google Scholar
[328]
and
Non-local viscosity of polymer melts approaching their glassy state. J. Chem. Phys., 133: 144907, 2010.Google Scholar
[329]
and
On the wavevector dependent shear viscosity of a simple fluid. Mol. Phys., 97: 415, 1999.Google Scholar
[331] and
Generalized Fourier law for heat flow in a fluid with a strong, nonuniform strain rate. Phys. Rev. E, 61: 6003, 2000.Google Scholar
[333]
and
Nonequilibrium kinetic temperatures in flowing gases. Phys. Lett. A, 350: 339, 2006.Google Scholar
[334] and
Nonequilibrium temperature versus local-equilibrium temperature. Phys. Rev. E, 49: 1040, 1994.Google Scholar
[335] and
Method for calculating the heat and momentum fluxes of inhomogeneous fluids. Phys. Rev. E, 70: 061205, 2004.Google Scholar
[336]
and
On the validity of Fourier's law in systems with spatially varying strain rates. Mol. Phys., 96: 915, 1999.Google Scholar
[337] and
The heat flux vector for highly inhomogeneous nonequilibrium fluids in very narrow pores. J. Chem. Phys., 103: 9804, 1995.Google Scholar
[339]
and
Linear and nonlinear density response functions for a simple atomic fluid. J. Chem. Phys., 139: 044510, 2013.Google Scholar
[340]
and
Effects of nanoscale inhomogeneity on shearing fluids. Phys. Rev. E, 88: 052143, 2013.Google Scholar
[341]
and
Nonlocal response functions for predicting shear flow of strongly inhomogeneous fluids. I. Sinusoidally driven shear and sinusoidally driven inhomogeneity. Phys. Rev. E, 91: 062132, 2015.Google Scholar
[342]
and
Nonlocal response functions for predicting shear flow of strongly inhomogeneous fluids. II. Sinusoidally driven shear and multisinusoidal inhomogeneity. Phys. Rev. E, 92: 012108, 2015.Google Scholar
[343] and
Local viscosity of a fluid confined in a narrow pore. Phys. Rev. E, 86: 021202, 2012.Google Scholar
[344] and
Local shear viscosity of strongly inhomogeneous dense fluids: from the hard-sphere to the Lennard-Jones fluids. J. Phys.: Condens. Matter, 25: 485001, 2013.Google Scholar
[345] and
Nonlocal viscous transport and the effect on fluid stress. Phys. Rev. E, 78: 051202, 2008.Google Scholar
[346]
and
Comment on: Molecular simulation and continuum mechanics study of simple fluids in non-isothermal planar Couette flows. J. Chem. Phys., 111: 10730, 1999.Google Scholar
[348]
and
A new and effective method for thermostatting confined fluids. J. Chem. Phys.
140: 054502, 2014.Google Scholar
[349] and
Molecular spin in a fluid undergoing Poiseuille flow. Phys. Rev. E, 55: 1566, 1997.Google Scholar
[350] Couette code was developed by based on the MD library of (http://www.jshansen.dk/resources.html).
[351]
Contributions to Mechanics. Pergamon, Oxford, 1969.
[353] and
Statistical mechanics of viscous flow in nematic fluids. J. Chem. Phys., 99: 9021, 1993.Google Scholar
[354]
Models for Polymeric and Anisotropic Liquids, volume 675 of Lecture Notes in Physics. Springer, New York, 2005.
[355]
and
Structural and dynamical properties for confined polymers undergoing planar Poiseuille flow. J. Chem. Phys., 126: 144907, 2007.Google Scholar
[356]
Introduction to Polymer Physics. Oxford, New York, 1996.
[357]
, and
Stick and slip phenomena during extrusion of polyethylene melts as investigated by laser-doppler velocimetry. J. Rheol., 44: 413, 2000.Google Scholar
[358]
and
Stick-slip flow of high density polyethylene in a transparent slit die investigated by laser doppler velocimetry. Rheol. Acta, 43: 89, 2004.Google Scholar
[359]
and
Viscous properties of isotropic fluids composed of linear molecules: Departure from the classical Navier-Stokes theory in nano-confined geometries. Phys. Rev. E, 80: 046322, 2009.Google Scholar
[360]
and
Rotational and spin viscosities of water: Application to nanofluidics. J. Chem. Phys., 133: 144906, 2010.Google Scholar
[361]
and
Dynamical properties of a confined diatomic fluid undergoing zero mean oscillatory flow: Effect of molecular rotation. Phys. Rev. E, 77: 066707, 2008.Google Scholar
[362]
and
Molecular spin in nano-confined fluidic flows. Microfluid. Nanfluid., 6: 785, 2009.Google Scholar
[364]
and
Electrohydraulic power conversion in planar nanochannels. Phys. Rev. Lett., 103: 144503, 2009.Google Scholar
[365]
and
Electrokinetics at aqueous interfaces without mobile charges. Langmuir, 26: 12614, 2010.Google Scholar
[366]
and
Electropumping of water with rotating electric fields. J. Chem. Phys., 138: 154712, 2013.Google Scholar
[367]
and
Molecular dynamics study of nanoconfined water flow driven by rotating electric fields under realistic experimental conditions. Langmuir, 30: 3095, 2014.Google Scholar
[368] In preparation, 2016.
[370]
and
Hydrodynamics and collective angularmomentum fluctuations in molecular fluids. Phys. Rev. A, 3: 1462, 1971.Google Scholar
[371] and
Molecular Hydrodynamics. McGraw-Hill, New York, 1980.
[372]
Generalised Thermodynamics: The Thermodynamics of Irreversible Processes and Generalised Hydrodynamics. Kluwer, Dordrecht, 2002.
[373]
and
Shock-wave structure via nonequilibrium molecular dynamics and Navier-Stokes continuum mechanics. Phys. Rev. A, 22: 2798, 1980.Google Scholar
[374] and
Plasticity induced by shock waves in nonequilibrium molecular-dynamics simulations. Science, 280: 2085, 1998.Google Scholar
[375]
and
Analysis of simulation technique for steady shock waves in materials with analytical equations of state. Phys. Rev. E, 74: 056706, 2006.Google Scholar
[376]
and
Extended Irreversible Thermodynamics. Springer, Heidelberg, 2001.
[377]
A constitutive relation describing the shear-banding transition. Phys. Rev. E, 60: 4534, 1999.Google Scholar
[378]
and
Nonlocal effects in flows of wormlike micellar solutions. Phys. Rev. Lett., 100: 038301, 2008.Google Scholar
[379] and
A nonlocal theory for stress in bound, Brownian suspensions of slender, rigid fibers. J. Fluid. Mech., 296: 271, 1995.Google Scholar
[381]
and
A study of viscosity inhomogeneity in porous media. J. Chem. Phys., 106: 4684, 1997.Google Scholar
[382] Personal communication.
[383]
Transverse-current autocorrelation-function calculations of the shear viscosity for molecular liquids. Phys. Rev. E, 49: 359, 1994.Google Scholar
[385]
Numerical Fourier transforms in one, two, and three dimensions for liquid state calculations. J. Comput. Phys., 8: 417, 1971.Google Scholar
[386]
and
An extended analysis of the viscosity kernel for monatomic and diatomic fluids. J. Phys: Condens. Matter, 22: 195105, 2010.Google Scholar
[387]
and
A non-local hydrodynamic model for the shear viscosity of confined fluids: analysis of a homogeneous kernel. J. Phys. A: Math. Theor., 41: 035501, 2008.Google Scholar
[388]
and
Non-local viscosity. In preparation.
[389]
and
Non-local density dependent constitutive relations. In preparation.
[390]
The effects of density inhomogeneity and non-locality on nanofluidic flow. PhD thesis, RMIT University, 2014.
[392]
and
A tractable molecular theory of flow in strongly inhomogeneous fluids. J. Chem. Phys., 89: 3152, 1988.Google Scholar
[393]
Memoire sur les lois du mouvement des fluides. Mem. Acad. Sci. Inst. Fr., 6: 389, 1823.Google Scholar
[394] and
Hydrodynamic boundary-conditions, correlation-functions, and Kubo relations for confined fluids. Phys. Rev. E, 49: 3079, 1994.Google Scholar
[395] and
On the equilibrium calculation of the friction coefficient for liquid slip against a wall. J. Chem. Phys., 127: 174706, 2007.Google Scholar
[396] and
On the equilibrium calculation of the friction coefficient for liquid slip against a wall. J. Chem. Phys., 128: 209901, 2008.Google Scholar
[397] and
Modeling mixture transport at the nanoscale: Departure from existing paradigms. Phys. Rev. Lett., 100: 236103, 2008.Google Scholar
[398]
and
Molecular-dynamics of fluid-flow at solid-surfaces. Phys. Fluids A, 1: 781, 1989.Google Scholar
[399] and
Shear-dependent slippage at a polymer solid interface. Langmuir, 8: 3033, 1992.Google Scholar
[400]
and
Simple kinetic model for fluid flows in the nanometer scale. Phys. Rev. E, 71: 035301, 2005.Google Scholar
[401]
Drainage of a thin liquid-film confined between hydrophobic surfaces. Langmuir, 11: 2213, 1995.Google Scholar
[402]
and
Hydrodynamic boundary conditions for confined fluids via a nonequilibrium molecular dynamics simulation. J. Chem. Phys., 105: 3211, 1996.Google Scholar
[403]
and
Boundary conditions for fluids with internal orientational degrees of freedom: Apparent velocity slip associated with the molecular alignment. Phys. Rev. E, 75: 066302, 2007.Google Scholar
[405] and
General continuum boundary conditions for miscible binary fluids from molecular dynamics simulations. J. Chem. Phys., 125: 214102, 2006.Google Scholar
[406]
and
Boundary conditions at a fluid-solid interface. Phys. Rev. Lett., 86: 803, 2001.Google Scholar
[407] and
Green–Kubo relation for friction at liquid-solid surfaces. Phys. Rev. E, 89: 032118, 2014.Google Scholar
[408]
and
Prediction of fluid velocity slip at solid surfaces. Phys. Rev. E, 84: 016313, 2011.Google Scholar
[410]
and
Slip length of water on graphene: Limitations of non-equilibrium molecular dynamics simulations. J. Chem. Phys., 136: 024705, 2012.Google Scholar
[411]
and
Interfacial slip friction at a fluidsolid cylindrical boundary. J. Chem. Phys., 136: 244704, 2012.Google Scholar
[412]
and
How fast does water flow in carbon nanotubes?
J. Chem. Phys., 138: 094701, 2013.Google Scholar
[413]
and
Generalized extended Navier-Stokes theory. J. Chem. Phys.
138: 034503, 2013.Google Scholar
[414]
Generalized extended Navier-Stokes theory: Multiscale spin relaxation in molecular fluids. Phys. Rev. E.
88: 032101, 2013.Google Scholar