Abstract
Isolated clusters, fragments of the bcc structure of the compounds of the TiVZrNbMo, TiVZrNbHf and TiVZrNbTa systems, have been constructed and studied from the first principles. An approach has been developed and applied to predicting the lattice parameter and its distortion in solid-state structures based on the results of an Ab initio study of fragments of their structure. It has been established that the predicted values of the lattice constant of the equiatomic compounds TiVZrNbMo, TiVZrNbTa, TiVZrNbHf agree with the available experimental values with high reliability. The developed approach, together with the constructed models of isolated clusters, can be recommended for predicting the lattice parameter and its distortion in new predictive multicomponent metalic compounds.
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.
