Re-entrant melting of sodium, magnesium, and aluminum: General trend

Abstract

Re-entrant melting (in which a substance's melting point starts to decrease beyond a certain pressure) is believed to be an unusual phenomenon. Among the elements, it has so far only been observed in a very limited number of species, e.g., the alkali metals. Our density functional theory calculations reveal that this behavior actually extends beyond alkali metals to include magnesium, which also undergoes re-entrant melting, though at the much higher pressure of ~300 GPa. We find that the origin of re-entrant melting is the faster softening of interatomic interactions in the liquid phase than in the solid, as pressure rises. We propose a simple approach to estimate pressure-volume relations and show that this characteristic softening pattern is widely observed in metallic elements. We verify this prediction in the case of aluminum by finding re-entrant melting at ~4000 GPa. These results suggest that re-entrant melting may be a more universal feature than previously thought.

References in corpus (7)

• An analytic model of the Gruneisen parameter at all densities
• First-principles calculation of entropy for liquid metals
• The kinetics of homogeneous melting beyond the limit of superheating
• Microscopic origins of the anomalous melting behaviour of high-pressure sodium
• Exploring the behavior of vanadium under high-pressure and high-temperature conditions
• Thallium under extreme compression
• High-pressure high-temperature phase diagram of zinc

Cited by in corpus (5)

• Theoretical predictions of melting behaviors of hcp iron up to 4000 GPa
• Theory of melting lines
• Melting curve of magnesium up to 460 GPa from ab initio molecular dynamics simulations
• Two state model for critical points and the negative slope of the melting-curve
• Estimating melting curves for Cu and Al from simulations at a single state point