viscosity of implicit solvent

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#1

Hello,

I’m using fix deform and fix nvt to apply oscillatory shear on a self-assembled state of di-block co-polyer chains that have formed a cross-linked network. (aggregated chains being the nodes of the network). the solvent is implicit and I don’t use fix langevin.
I have two concerns:

  • is the viscosity that I compute, the net viscosity of the solute with no contribution from viscosity of the solution?
  • is the viscose mode governed by the energy dissipation that is going to thermal bath?

I am curious if some one knows examples of computational rheology done by LAMMPS.

Best,

Hamed.

#2
  • is the viscosity that I compute, the net viscosity of the solute with no contribution from viscosity of the solution?

yes, just the solute

  • is the viscose mode governed by the energy dissipation that is going to thermal bath?

if you don’t thermostat then the system will heat up because
you are adding energy by fix deform. However you thermostat

(langevin, fix nvt/sllod), the thermostat contributes nothing
to the viscosity. It is just keeping the solute (in your case) at

a constant T so you can measure the viscosity of the solute.

Steve