The phonon dispersion curves for Pt57.5Cu14.7Ni5.3P22.5 bulk metallic glass (BMG) are computed employing various dielectric screenings using the simple model given by Bhatia and Singh. The force constants β and δ for computing the dispersion curves are calculated from the elastic constants i.e. bulk modulus (B) and shear modulus (G) along with the calculated value of force constant κe of the material of the glass for the first time. The results of the phonon dispersion curves show appropriate behavior in the long wavelength region in detail for both the longitudinal and transverse modes and give insight regarding the acoustic and thermal properties of the BMG. The transverse sound velocity and the longitudinal velocities with various dielectric screening are calculated from the dispersion curves in the long wavelength region. The corresponding thermodynamic property (Debye temperature) is calculated for different dielectric screenings. The theoretical results predicted are in a good agreement with the reported data in the literature for the Pt57.5Cu14.7Ni5.3P22.5 BMG and may be used for correlating other properties.
The phonon dispersion curves for bulk metallic glasses (BMGs) Pd40Ni10Cu30P20 and Pd64Ni16P20 are computed for the longitudinal and transverse phonon frequencies using the simple model given by Bhatia and Singh. Different dielectric screening functions are employed for the longitudinal mode. We obtain the values of the force constants β and δ calculated from the elastic constants of the material of the respective BMGs for computing the dispersion curves. The computed phonon dispersion curves show appropriate behaviour for both the longitudinal and transverse modes. The transverse sound velocity and the longitudinal sound velocities with various dielectric screenings are calculated in the long wavelength region from the computed dispersion curves for both the BMGs. The first peak position of the static structure factor is predicted from the dispersion curves. The values of sound velocities and the first peak of the static structure factor estimated from the computed dispersion curves show excellent agreement with the experimental values reported in literature for the BMGs under consideration and the results may be used for correlating other properties of the BMGs.
The structure and electrical resistivity of Na1-xRbx binary alloys (where x = 0, 0.1, 0.2,…,1) are computed using Percus-Yevick (PY) equation, hard-sphere model and Faber-Ziman formula respectively. The partial structure factors and total structure factor are computed using hard-sphere model for Na1-xRbx. In the calculation of resistivity using Faber-Ziman formula, we have employed Ashcroft empty-core pseudo-potential and Hartree dielectric screening. Calculated values of resistivity are compared with the experimental results and other theoretical values reported in literature. It is found that the electrical resistivity calculated using Faber-Ziman formula for binary alloy Na1-xRbx is in good agreement with the values reported experimentally.
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