Resolving decades of debate: the surprising role of high-temperature covalency in the structure of liquid gallium
Stephanie Lambie, Krista G. Steenbergen, Nicola Gaston
Abstract
molecular dynamics simulations of bulk Ga liquid at different temperatures. Contrary to previous assumptions, covalency becomes more important in the liquid at higher temperatures, meaning that covalency is not a significant feature of the liquid near the phase transition temperature. This explains the experimental observation of a decrease of resistivity of the metal upon melting, and its subsequent anomalously nonlinear increase with temperature. This revised understanding of structuring in the liquid has implications for the way these alloys are tailored for specific applications in the rapidly developing field of LMs.
Topics & Concepts
GalliumMelting temperatureCovalent bondMaterials scienceChemical physicsMetalNanotechnologyCrystallographyChemistryMetallurgyComposite materialOrganic chemistrynanoparticles nucleation surface interactionsMaterial Dynamics and PropertiesAdvanced Chemical Physics Studies