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

Fluctuation - induced nucleation and dynamics of the kinks on dislocation. Soliton and oscillation regimes in 2D Frenkel-Kontorova model

Numerical simulation of the dislocation motion in 2D Frenkel - Kontorova (FK) model in the thermostat shows an unusual dynamical behavior. It appears that ''kink'' regime of dislocation gliding takes place in a certain region of parameters of the model but, in disagreement with the common views about the dislocation motion under plastic deformation condition, the kinks appear to be similar to sine-Gordon solitons despite the discreteness of the lattice, damping and thermal fluctuations. At high enough stresses and temperatures the motion of the dislocation is accompanied by its oscillations rather than kink nucleation.Comment: 5 pages, RevTeX, 5 PostScript figures, rewritten and extended version, accepted for publication in Phys. Rev.

Structure, elastic moduli and thermodynamics of sodium and potassium at ultra-high pressures

The equations of state at room temperature as well as the energies of crystal structures up to pressures exceeding 100 GPa are calculated for Na and K . It is shown that the allowance for generalized gradient corrections (GGA) in the density functional method provides a precision description of the equation of state for Na, which can be used for the calibration of pressure scale. It is established that the close-packed structures and BCC structure are not energetically advantageous at high enough compressions. Sharply non-monotonous pressure dependences of elastic moduli for Na and K are predicted and melting temperatures at high pressures are estimated from various melting criteria. The phase diagram of K is calculated and found to be in good agreement with experiment.Comment: 4 pages, 7 Postscript figures, Revtex, extended version, to appear in Phys. Rev.

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

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

Fermi liquid theory of electronic topological transitions and screening anomalies in metals

General expressions for the contributions of the Van Hove singularity (VHS)in the electron density of states to the thermodynamic potential $\Omega are obtained in the framework of microscopic Fermi liquid theory. The renormalization of the singularities in$\Omega connected with the Lifshitz electronic topological transition (ETT) is found. Screening anomalies due to virtual transitions between VHS and the Fermi level are considered. It is shown that, in contrast with the one-particle picture of ETT, the singularities in $\Omega turns out to be two-sided for interacting electrons.Comment: 8 pages RevTeX, with minor corrections (Introduction and Conclusions are rewritten, new references are added), to appear in Physical review