The NEMD simulations were performed for 5.5 ns, with the initial 0.5 ns discarded to allow the system to reach a non-equilibrium steady state. During the NEMD simulations, the center of mass (COM) of the slab was restrained in the z-axis to prevent drift. Temperature and density profiles were calculated by dividing the system into 100 and 5,000 bins, respectively, along the z-axis. The temperature within each bin was calculated using Equation 2 and the density was calculated using equation, ρ