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

LAMMPS input scripts for thermal rectification of graphene and contact angle of argon on a solid copper surface.

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 …