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Type: Artigo
Title: Theoretical evidence for a first-order liquid-liquid phase transition in gallium
Author: Carvajal Jara, Diego Alejandro
Michelon, Mateus Fontana
Antonelli, Alex
Koning, Maurice de
Abstract: 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.
Subject: Dinâmica molecular
Transição de fase
Country: Estados Unidos
Editor: American Institute of Physics
Citation: Journal Of Chemical Physics. Amer Inst Physics, v. 130, n. 22, 2009.
Rights: fechado
Identifier DOI: 10.1063/1.3154424
Date Issue: 2009
Appears in Collections:IFGW - Artigos e Outros Documentos

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