By the moment method established previously on the basis of the statistical mechanics, the thermodynamic properties of a strongly anharmonic face-centered and body-centered cubic crystal with point defect are considered. The thermal expansion coefficient, the specific heat Cv and Cp, the isothermal and adiabatic compressibility, etc. are calculated. Our calculated results of the thermal expansion coefficient, the specific heat Cv and Cp… of W, Nb, Au and Ag metals at various temperatures agrees well with the measured values. The anharmonic effects in extended X-ray absorption fine structure (EXAFS) in the single-shell model are considered. We have obtained a new formula for anharmonic contribution to the mean square relative displacement. The anharmonicity is proportional to the temperature and enters the phase change of EXAFS. Our calculated results of Debye–Waller factor and phase change in EXAFS of Cu at various temperatures agrees well with the measured values.
On the use of the volumetric thermal expansion coefficient in models of ocean floor topography
