I have a couple of questions about running a simulation of a fluid layer, confined between two surfaces under an external pressure, and shearing the two surfaces.
I am trying to set up a simulation similar to attached picture from Berro et al. (Tribol Int 43 (2010) 1811-1822).
I currently apply an overall external pressure to the system by applying an aveforce (in z direction) to a thin layer of surface atoms (as shown) in red. This compresses my fluid layer to a equilibriated "constant" thickness. In addition to this I want to apply a shear, by moving the surface atoms with a constant velocity in the x direction, whilst still applying a force in the z-direction.
I cannot apply a fix aveforce in z, and fix move linear for the surface as this results in the surface atoms being integrated twice
Finally, I am not sure how to thermostat this system. Previously, for "static systems" (no shear) I have only thermostatted regions of the surface (red layer), to control the temperature of the whole system, but I am not sure if/how I can do this if I am also shearing the system.
Thanks in advance for you help.
Michael.
