An input script for LAMMPS to calculate specific heat capacity of confined argon under solid copper walls.

Molecular dynamics (MD) simulations were conducted to investigate the impact of hybrid wettability on thermal properties, specifically focusing on the constant volume molar heat capacity and thermal conductivity of Nano-confined liquid (NCL). The simulation domain, maintained at a temperature of 100 …

Equilibrium Molecular Dynamics (EMD) simulations are carried out to investigate the effects of wall wettability and nanogap thickness (h) on the constant volume molar heat capacity (Cv) of liquid argon entrapped between two solid copper walls at a fixed temperature of 100 K. Lennard-Jones (LJ) …