Abstract
Equations are developed for the calculation of thermodynamic functions of imperfect molecular crystals containing one species of point defect on a cubic lattice, following a method proposed by Mayer[7]. The treatment of vibrations requires essentially only the techniques applicable to a perfect crystal, requires no static relaxation calculation, and can allow for defect-defect interactions. The free energy of solution, and the activity coefficient in an approximation similar to that of Bragg and Williams, are calculated for argon in krypton in moderate agreement with experiment. Results for vacancy concentrations in krypton are less satisfactory. The limitations of the method are indicated.
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.
