Project Overview
This project investigates how hybrid wettability affects the thermal properties of nano-confined liquid (NCL): a thin film (about 3 nm) of liquid argon entrapped between two solid copper surfaces at 100 K. Using LAMMPS, we ran Molecular Dynamics (MD) simulations to calculate the constant volume molar heat capacity and the thermal conductivity of the confined liquid.
Key Contributions
- Created hybrid wettability surfaces by applying two different wettability factors (μ) to the same copper surface, varying the solid-liquid interaction parameter.
- Calculated the constant volume molar heat capacity and the thermal conductivity of the nano-confined liquid.
- Showed that the heat capacity of liquid argon confined between hybrid wettability surfaces exceeds its bulk value of 20 J/mol·K.
- Published the findings in Computational Materials Science (Volume 244, 2024, 113232) as a Q1 journal article with an impact factor of 3.1.