Effective potential for many-body interactions in some properties of the HFD-like solids

• An effective potential has been presented for the HFD-like solids.
• The EoS and elastic constants for the HFD-like solids simulated at high pressures.
• Our (many-body corrected) model improves the prediction of the two-body results.

We have determined the room-temperature equation of state for the HFD-like solids (such as Ar, Kr, Xe, CH44, CO22, N22, and O22) using the two-body HFD-like potentials from molecular dynamics simulation at high pressures. A simple and accurate empirical many-body expression has also been used with the two-body potential for the HFD-like solids without requiring an expensive three-body calculation. The configurational energy and the exact equation of state using the new model have been obtained in good agreement with the experiment. Our predicted results of the elastic constants also indicated that our new effective (many-body corrected) potential improves the two-body values of solids Ar, Kr, and CO22 to get better agreement with the experiment.