I have simulated Argon flow in Pt nano-channel with one moving wall. I changed the wall velocity from low to high magnitudes.
Now I want to check the magnitudes of fluid viscosity and pressure in each bin of the channel to know their variations by increasing of the wall velocity.
Could you please guide me either GK method or rNEMD method is better for me and how can I obtain viscosity and pressure magnitude throughout the simulations?
Some info is provided in Section howto 6.21. You’ll
have to try the various methods to see which works
best for you.
I’ve already seen that, wish it could be help me.
what about the pressure? How could I get its variation in my simulation,
I would like to obtain magnitude of total fluid pressure after the simulation.
If you just want pressure(stress tensor), whats wrong with the regular virial interpretation of stress in MD, i.e. extracted via compute temp and compute pressure commands? Note that neither interpretation makes sense if you are not simulating some non-equilibrium steady state.