Abstract
Abstract Mutual interaction of (metal) host atoms and interstitial atoms can induce phase transitions and order–disorder transitions. Therefore, such correlated site occupations need to be taken into account in computational design of material like steels and membranes for hydrogen purification. In this paper, the cluster variation method based simple cube approximation is applied to predict phase transformations in a hypothetical system and the effect of alloying elements on the distribution of atoms and vacancies in fcc structured transition metal hosts. The cube cluster is composed of both metal and interstitial sublattice sites of which the mutual interaction is expressed in terms of pair potentials.
Sign-in/Register to access full text options 
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.
