On mechanical characteristics of nanocrystals

The dependence of the elastic moduli of a nanocrystal on its size is investigated theoretically with reference to a two-dimensional single-crystal strip. It is shown that the uncertainty (of a fundamental nature) in the size of a nanocrystal causes the determination of many of its mechanical characteristics to be ambiguous. It is found that the Cauchy-Green relations are modified and the elastic-constant tensor ceases to be symmetric; the size and shape of a nanocrystal render its mechanical properties more anisotropic. For a single-crystal strip, the Poisson ratio decreases and the Young modulus increases with decreasing thickness of the strip; in the case of a very thin crystal film (two atomic layers thick), these elastic moduli can differ from their macroscopic values by a factor of two. The size effects which make the continuum elasticity theory inapplicable to nanocrystals are estimated. The size effects that occur when the molecular dynamics method is applied for modeling macroscopic objects are also discussed.     

Ground-state energy of pionic hydrogen to one loop

We investigate the ground-state energy of the atom (pionic hydrogen) in the framework of QCD + QED. In particular, we evaluate the strong energy-level shift. We perform the calculation at next-to-leading order in the low-energy expansion in the framework of the relevant effective field theory. The result provides a relation between the strong energy shift and the pion-nucleon S-wave scattering lengths - evaluated in pure QCD - at next-to-leading order in isospin-breaking and in the low-energy expansion. We compare our result with available model calculations. Received: 11 June 2002 / Published online: 9 October 2002     

Expansion of monomer units in poly(ethylene terephthalate) molecules under conditions of thermal and zero-point atomic vibrations

The temperature dependence of the expansion ?_C of trans conformers of the carbon skeleton of macromolecules in crystallized and amorphous poly(ethylene terephthalate) (PET) due to zero-point and thermal atomic vibrations is investigated by IR spectroscopy. It is found that the thermal expansion coefficient β_C jumpwise increases at the characteristic temperatures T _t and T _b. This increase is associated with the crossover from the quantum to classical statistics of torsional and bending vibration modes. The quantum and classical contributions to the expansion ?_C are determined for each mode. The quantum and classical contributions of the torsional vibrational mode in the amorphous polymer are approximately 1.5 times larger than those in the crystallized polymer. This effect is caused by an increase in the anharmonicity of torsional vibrations in the amorphous polymer.     

Nonlinear Theory of Spectra of Thermally Stimulated Currents in Complex Crystals with Hydrogen Bonds

The nonlinear theory of thermally stimulated depolarization currents is developed. The theory explains the processes of hetero- and homocharge relaxation in complex crystals with hydrogen bonds and allows the relaxation oscillator parameters to be calculated using the quadratic approximation for the external electric field.     

Decay and fission of oriented nuclei

The angular distributions of fragments originating from the binary decay of oriented spherical and deformed nuclei are investigated with allowance for correct transformation properties of wave functions under time inversion. It is shown that, as in the case of protonic decay, the adiabatic approximation for collective rotational degrees of freedom of the systems under investigation is inapplicable in describing the angular distributions of fragments of the deep-subbarrier alpha and cluster decays of nuclei. It is demonstrated that this approximation is justified in describing spontaneous and induced low-energy nuclear fission. The dependence of partial fission widths on the orientation of intrinsic axes, spins, and projections of spins and relative orbital angular momenta of fission fragments is analyzed by using the formalism of the unified theory of nuclear reactions and the theory of open Fermi systems. It is shown that the adiabatic approximation leads to the coherent interference between the wave functions for the relative motion of fragments, whereby the universal angular distributions of fission fragments of oriented nuclei is formed. Deviations from the A. Bohr formula are investigated for these distributions.     

Forward-angle yields of 2≤Z≤11 isotopes in the reaction of 18O(35A MeV) with 9Be

A systematic investigation of the forward-angle inclusive yields of 2≤Z≤11 isotopes produced in collisions of ¹⁸O projectile nuclei with a ⁹Be target in the Fermi energy region (35A MeV) is performed. The measurements were based on the use of the COMBAS double achromatic kinematical separator in the spectrometry mode at the Flerov Laboratory of Nuclear Reactions at the Joint Institute for Nuclear Research, FLNR (JINR, Dubna). The velocity, isotopic, and element distributions are presented. There is no unique mechanism that would explain the total set of results obtained in this experiment. A dominant role of low-energy reaction mechanisms is observed. The intensity of secondary beams of halolike nuclei ¹¹Li, ¹²Be, and ¹⁴Be is determined.     

Pion correlations and resonance effects in \bar{p}p annihilation to 4\pi^0 at rest

We study correlations in the exclusive reaction at rest with complete reconstruction of the kinematics for each event. The inclusive distribution is fairly flat at small invariant mass of the pion pair while a small enhancement in the double differential distribution is observed for small invariant masses of both pion pairs. Dynamical models with resonances in the final state are shown to be consistent with the data while the stochastic HBT mechanism is not supported by the present findings. Received: 26 February 2002 / Revised version: 22 July 2002 / Published online: 30 August 2002     

Time delay as a key to apoptosis induction in the p53 network

A feedback mechanism that involves the proteins p53 and mdm2, induces cell death as a controlled response to severe DNA damage. A minimal model for this mechanism demonstrates that the response may be dynamic and connected with the time needed to translate the mdm2 protein. The response takes place if the dissociation constant k between p53 and mdm2 varies from its normal value. Although it is widely believed that it is an increase in k that triggers the response, we show that the experimental behaviour is better described by a decrease in the dissociation constant. The response is quite robust upon changes in the parameters of the system, as required by any control mechanism, except for few weak points, which could be connected with the onset of cancer. Received 8 May 2002 / Received in final form 9 July 2002 Published online 17 September 2002     

Stoner-Wohlfarth-type behavior of a close-packed array of high-anisotropy hexaferrite nanoparticles

Magnetization and remagnetization processes in a close-packed nanodispersed barium hexaferrite powder sample in the magnetically stable state were analyzed. Reversibility effects were discussed in terms of interparticle interaction. Judging from the magnetization curve and the parameters characterizing remagnetization irreversibility, the sample under study is a model system of small Stoner-Wohlfarth particles.     

A negatively charged silicon vacancy in SiC: Spin polarization effects

The equilibrium geometry and hyperfine interaction constants of the nearest and next-to-nearest neighbor atoms are calculated for a negatively charged silicon vacancy in the high-spin state in cubic SiC. The calculations are performed within the cluster approach in terms of the density-functional theory (DFT). It is shown that the results of calculations with the use of a 70-atom cluster are in good agreement with experimental data. A detailed consideration is given to spin polarization in the electron subsystem and the applicability of a simple LCAO model that is commonly used in the interpretation of the electron paramagnetic resonance data for semiconductors. The spin density distribution for the defect under investigation is analyzed in terms of localized orbitals.