Abstract
AbstractThe lattice static Green function and computer simulation methods are used in order to calculate the lattice distortion owing to a vacancy and a self‐interstitial in a hexagonal close packed lattice. A semidiscrete method is developed for the perfect lattice Green function evaluation. An empirical potential deduced by fitting magnesium parameters, and a pseudopotential, deduced for that metal, by Appapillai and Heine, are adopted for the calculation. The validity of using those potentials is discussed. An almost isotropic and very small lattice distortion is calculated for the vacancy, while a large and anisotropic lattice distortion calculated for an interstitial atom determines the trigonal (tetrahedral) configuration to be stable with respect to the hexagonal (octahedral) one.
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.
