Homogeneous non-equilibrium molecular dynamics simulations of viscous flow: techniques and applications

DOI10.1080/08927020601026629MaRDI QIDQ3438845zbMATH OpenOpenAlexFDO

Authors B. D. Todd, P. J. Daivis

Publication date 29 May 2007

Published in Molecular Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1080/08927020601026629

zbMATH Keywords

elongational flowshear flowtransport phenomena

Mathematics Subject Classification ID

Research exposition (monographs, survey articles) pertaining to fluid mechanics (76-02) Particle methods and lattice-gas methods (76M28) Dynamic continuum models (systems of particles, etc.) in time-dependent statistical mechanics (82C21) Statistical mechanics of liquids (82D15)

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Cites work

• A reversible problem in non-equilibrium thermodynamics: Hamiltonian evolution equations for non-equilibrium molecular dynamics simulations
• Canonical ensembles from chaos
• Dynamical ensembles in stationary states.
• Extensional motions of spatially periodic lattices
• scientific article; zbMATH DE number 5345745 (Why is no real title available?)
• scientific article; zbMATH DE number 46777 (Why is no real title available?)
• scientific article; zbMATH DE number 6818310 (Why is no real title available?)
• Nonlinear shear and elongational rheology of model polymer melts by non-equilibrium molecular dynamics
• Probability of second law violations in shearing steady states
• The Art of Molecular Dynamics Simulation
• The conjugate-pairing rule for non-Hamiltonian systems

Cited in

(16)

• Local effective viscosity of gas in nano-scale channels
• A reversible problem in non-equilibrium thermodynamics: Hamiltonian evolution equations for non-equilibrium molecular dynamics simulations
• Simple periodic boundary conditions for molecular simulation of uniaxial flow
• Stochastic characteristics and second law violations of atomic fluids in Couette flow
• Objective molecular dynamics for atomistic simulation of macroscopic fluid motion
• Rheological evaluation of colloidal dispersions using the smoothed profile method: formulation and applications
• Design of viscometers corresponding to a universal molecular simulation method
• scientific article; zbMATH DE number 4209766 (Why is no real title available?)
• Shear viscosity of ionic liquids from non-equilibrium molecular dynamics simulation
• A Perturbative Approach to Control Variates in Molecular Dynamics
• Data-driven discovery of governing equations for fluid dynamics based on molecular simulation
• NONCANONICAL POISSON BRACKETS AND HAMILTONIAN EVOLUTION EQUATIONS FOR NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATIONS
• Computer simulation of simple and complex atomistic fluids by nonequilibrium molecular dynamics techniques
• Fixing the flux: a dual approach to computing transport coefficients
• Transient subtraction: a control variate method for computing transport coefficients
• Nonequilibrium molecular dynamics for bulk materials and nanostructures

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