Hi everyone, 

I want to create a CNT-polymer nanocomposite based on this article's procedure (https://doi.org/10.1016/j.ijsolstr.2014.01.019). 

I listed the steps below:

1) generate the cell contain CNT and polymers with an Amorphous Cell package

2) optimize the geometry of the system with Forcite module

3) heater to 650 K (NVT ensemble)

4) relaxed at 650 K and 1atm (NPT ensemble)

5) cooled down to room temperature with a step of 50 K for every 0.5 ns relaxation (NPT ensemble)

6) equilibrated system at room temperature (NVT ensemble)

(The Berendsen algorithm was employed to keep the temperature constant with a decay constant of 0.005 ps, and the Parrinello and Rahman algorithm was used to control the cell pressure with a cell time constant equal to 0.5 ps)

What is the meaning of " with a step of 50 K for every 0.5 ns" in step 5? 

In the other software like LAMMPS, we have T damp for this reason, but how can I apply the Tdamp in NPT or NVT ensemble in the material studio?

I would be very grateful if someone could guide me.

Best regards,

Ali