Abstract
In the present research article we report a study of certain properties like binding energy, pair distribution function g( r), structure factor S( q), velocity auto correlation function (VACF) and its spectral density, radial distribution function (RDF), self-diffusion coefficient, and coordination number of liquid alkali metals (Li, Na, K, Rb, and Cs) near the melting temperature using molecular dynamics (MD) simulation technique with a pseudopotential proposed earlier by us. Good agreement with the experiment is observed for the binding energy, pair distribution function, structure factor, and self-diffusion coefficient and these results also compare favorably with the results obtained by other theoretical calculations. This confirms the transferability of the pseudopotential formalism from solid to liquid environment in the case of alkali metals.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
