Nonperturbative anharmonic phenomena in crystal lattice dynamics

Slow dynamics of energy transfer between different phonon modes under the resonance conditions is considered. It may result in new effects in the inelastic and quasielastic neutron scattering spectra.Comment: Contribution to the proceedings of the 3rd International Symposium on Slow Dynamics in Complex Systems (Sendai, Japan,November 3-8, 2003), to be published in AIP Conference series, 200

Modeling of radiative - conductive heat transfer in compositing materials

A layer of composite material is investigated, which is heated one-sidedly with one-dimensional energy transfer accounting for thermal conductivity and radiation. A mathematical model is suggested for non-stationary coefficient thermophysical problem under radiative-conductive heat transfer in a material layer. Temperature dependencies of thermal capacity and thermal conductivity coefficient of composite radio-transparent material have been determined through numerical modeling by solving the coefficient reverse problem of thermal conductivity

Peculiarities of phonon spectra and lattice heat capacity in Ir and Rh

A simple pseudopotential model is proposed, which allows the phonon spectra and temperature dependence of the lattice heat capacity of Ir and Rh be described with a high enough accuracy. A careful comparison of the calculated and experimental values of the lattice heat capacity is carried out, with the procedure of the identification of the phonon contribution to the heat capacity and determination of the characteristics (momenta) of the phonon density of states from the experimental values of the total heat capacity of metal at a constant pressure being described in detail. The results of the theoretical calculations explain, in particular, such peculiar feature of Ir and Rh, unusual for cubic metals, as a sharp (more than by a factor of 1.5) decrease in the effective Debye temperature with increasing termperature. The temperature dependence of the mean square amplitude of atomic displacements in Ir and Rh has been calculated. Basing on the band calculations the manifestation of the Kohn singularities in the phonon spectra of Ir are discussed.Comment: 15 pages, LaTeX2e, 12 figures in postscrip

Characteristic features of anharmonic effects in the lattice dynamics of fcc metals

The dispersion in the entire Brillouin zone and the temperature dependence (right up to the melting temperature) of the anharmonic frequency shift and phonon damping in a number of fcc metals is investigated on the basis of microscopic calculations. It is found that the anharmonic effects depend sharply on the wave vector in the directions $\Gamma$-X, X-W, and $\Gamma$-L and, in contrast to bcc metals, the magnitude of the effects is not due to the softness of the initial phonon spectrum. It is shown that the relative frequency shifts and the phonon damping near melting do not exceed 10-20%. The relative role of various anharmonic processes is examined, and the relation between the results obtained and existing experimental data is discussed.Comment: 4 pages, 5 figures, LaTe

Peculiarities of anharmonic lattice dynamics and thermodynamics of alkaline-earth metals

The calculations are performed for a broad range of the properties of Ca and Sr in the fcc and bcc phases. A detailed information on the magnitude and character of temperature dependence of anharmonic effects in the lattice dynamics over the entire Brillouin zone (frequency shifts and phonon damping, Gruneisen parameters) is given. A detailed comparison of the computational results for the heat capacity and thermal expansion with the experimental data is carried out; the theoretical results are in good agreement with the experiment.Comment: 16 pages, 19 Postscript figures, Revte