Melting line of Krypton in extreme thermodynamic regimes

Abstract

We have performed extensive computer simulations of the thermodynamic and structural properties of the krypton rare gas modeled by the modified Buckingham exponential-6 interatomic potential. Using a new set of potential parameters, we have found a good agreement with the room temperature equation of state at very high pressure obtained by diamond anvil cell experiments. Moreover, the melting line of the model has been estimated through the Lindemann criterion; the agreement with the low-pressure experiments is excellent, whereas at higher pressure, the model poorly reproduces the typical softening of the experimental melting curve.