Extended correlations in the critical superheated solid

Abstract

Metastable states in first-order phase transitions reveal interesting behavior about a wide range of systems in statistical mechanics, including spin systems, cellular automata and condensed matter systems. These metastable states are often observed in a microcanonical setting, where they manifest long-range correlations due to collective effects. In this work we show the existence of long-range potential energy correlations between atoms in a microcanonical superheated Lennard-Jones crystal prior to homogeneous melting. Our results suggest that the cooperative motion made possible by the presence of vacancy-interstitial pairs above the melting temperature induces effective long-range interatomic forces even beyond the fourth neighboring layer.

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Cited by in corpus (3)

• Influence of electronic entropy on Hellmann-Feynman forces in ab initio molecular dynamics with large temperature changes
• Multiple metastable states in an off-lattice Potts model
• Configurational density of states and melting of simple solids