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T M Galea

Publications and source records attributed to T M Galea.

2 recordsLinked to original sources

Molecular dynamics study of the effect of atomic roughness on the slip length at the fluid-solid boundary during shear flow.

A systematic study into the effect of solid roughness on the slip boundary condition during shear flow is presented. Atomic roughness is modeled by varying the size and spacing between solid atoms at constant packing fraction while the interaction parameters and the thermodynamic state of the fluid are kept constant. It is shown that the fluid structure as manifest in the amplitude of the density oscillations increases with increasing smoothness of the surfaces. The fluid-solid slip length is shown to exhibit nonmonotonic behavior as the solid structure is varied from smooth to rough. Slip occurs for both smooth and rough surfaces, and stick occurs only for surfaces commensurate with the fluid.

Journal Article↗

Constraint method for deriving nonequilibrium molecular dynamics equations of motion.

A procedure for developing non-Hamiltonian equations of motion for constrained systems is given. It is shown that such constraints can be used to mimic common statistical systems, both equilibrium (e.g., constant temperature) and nonequilibrium (e.g., shear flow, heat flow), and the procedure is suited for molecular dynamics computer simulations. The method is demonstrated with isokinetic shear flow, in bulk and slit geometries, which illustrates its flexibility. Results for the shear viscosity are in agreement with previously published results.

Journal Article↗