Abstract
Molecular dynamics (MD) method and computer graphics (CG) were applied to understanding the structure and lattice constants of various perovskite-type composite metal oxides. The MD method with a simple diatomic potential function was found to be effective for reproducing the structure of perovskite-type metal oxides. It was also demonstrated that the calculated lattice constant agrees satisfactorily with experimental one for more than 20 kinds of multi-component perovskites.
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.
