About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Publication
EPL
Paper
Coexistence of monatomic and diatomic molecular fluid character in liquid gallium
Abstract
We have performed an ab initio molecular-dynamics simulation of liquid Ga at high temperature (1000 K). Our results are in good agreement with scattering data and with Knight-shift experiments. A remarkable feature of our findings is the coexistence in the liquid state ofmetallic and covalent characters. Covalency manifests itself in the appearance of very short-livedGa-Ga bonds, which represent remnants in the liquid of the crystalline form a-Ga. We set up atwo-fluid scheme which can be used for the analysis of fluids where metallic and covalentcharacters coexist. © 1993 IOP Publishing Ltd.