Theoretical evidence for a first-order liquid-liquid phase transition in gallium

DAC Jara and MF Michelon and A Antonelli and M de Koning, JOURNAL OF CHEMICAL PHYSICS, 130, 221101 (2009).

DOI: 10.1063/1.3154424

We report on theoretical results that lend support to recent experimental observations suggesting the existence of a first-order liquid-liquid phase transformation (LLPT) in gallium. Using molecular dynamics simulation based on a modified embedded-atom model, we observe a transition from a high-density to a low-density liquid in the supercooled regime. The first-order character of the transition is established through the detection of the release of latent heat and our findings suggest that the LLPT terminates in a critical point that is located in the tensile-strained domain of the metastable phase diagram. (C) 2009 American Institute of Physics. DOI: 10.1063/1.3154424

Return to Publications page