Theoretical evidence for a first-order liquid-liquid phase transition in gallium.
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.
Carvajal Jara
Diego Alejandro
DA
Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas (Unicamp), Caixa Postal 6165, 13083-970 Campinas, São Paulo, Brazil.
Fontana Michelon
Mateus
M
Antonelli
Alex
A
de Koning
Maurice
M
D003080:Cold Temperature; D003198:Computer Simulation; D005708:Gallium / Q000737:chemistry*; D008956:Models, Chemical; D044367:Phase Transition
D005708:Gallium