Molecular dynamics Simulation (Nanoscience And Nanotechnology)
Molecular dynamics simulations of shear-driven gas flows in nano-channels
Microfluidics and Nanofluidics May 2011
doi: 10.1007/s10404-011-0827-0
Keywords Wall force field effects, Tangential momentum accommodation coefficient, Shear stress, Rarefied gas flow
Using the recently developed smart wall molecular dynamics algorithm, shear-driven gas flows in nano-scale channels... more
Download (.pdf) Smart Wall Model for Molecular Dynamics Simulations of Nanoscale Gas Flows
Communications in Computational Physics May 2010
doi:10.4208/cicp.2009.09.118
Keywords: Rarefied gas flow, kinetic theory, surface effects, shear driven flow.
Three-dimensional molecular dynamics (MD) simulations of gas flows confined within nano-scale channels are... more
Equilibrium molecular dynamics studies on nanoscale-confined fluids
Microfluid Nanofluid April 2011
doi: 10.1007/s10404-011-0794-5
Keywords: Wall-force field, Pressure, Normal stresses, Surface and particle virial, rarefied gas, dense gas, liquid, Thermodynamic state
Fluid behavior within nanoscale confinements is studied for argon in dilute gas, dense gas, and liquid states.... more
