Excess free energy of supercooled liquids at disordered walls

摘要

Using a novel thermodynamic integration scheme, we compute the excess freeenergy, $\gamma$, of a glass-forming, binary Lennard-Jones liquid in contactwith a frozen amorphous wall, formed by particles frozen into a similarstructure as the liquid. We find that $\gamma$ is non-zero, becoming negativeat low temperature. This indicates that the thermodynamics of the system isperturbed by the effect of the amorphous wall.