A Modified Quasi-Newton Method for Structured Optimization with Partial Information on the Hessian

This paper develops a modified quasi-Newton method for structured unconstrained optimization with partial information on the Hessian, based on a better approximation to the Hessian in current search direction. The new approximation is decided by both function values and gradients at the last two iterations unlike the original one which only uses the gradients at the last two iterations. The modified method owns local and superlinear convergence. Numerical experiments show that the proposed method is encouraging comparing with the methods proposed in [4] for structured unconstrained optimization Presented at the 6th International Conference on Optimization: Techniques and Applications, Ballarat, Australia, December 9–11, 2004     

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.     

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.     

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     

Segregation in the Falicov--Kimball Model

The Falicov–Kimball model is a simple quantum lattice model that describes light and heavy electrons interacting with an on-site repulsion; alternatively, it is a model of itinerant electrons and fixed nuclei. It can be seen as a simplification of the Hubbard model; by neglecting the kinetic (hopping) energy of the spin up particles, one gets the Falicov–Kimball model. We show that away from half-filling, i.e. if the sum of the densities of both kinds of particles differs from 1, the particles segregate at zero temperature and for large enough repulsion. In the language of the Hubbard model, this means creating two regions with a positive and a negative magnetization. Our key mathematical results are lower and upper bounds for the sum of the lowest eigenvalues of the discrete Laplace operator in an arbitrary domain, with Dirichlet boundary conditions. The lower bound consists of a bulk term, independent of the shape of the domain, and of a term proportional to the boundary. Therefore, one lowers the kinetic energy of the itinerant particles by choosing a domain with a small boundary. For the Falicov- Kimball model, this corresponds to having a single “compact” domain that has no heavy particles. Received: 21 June 2001 / Accepted: 4 January 2002     

Quantum frequency standards based on the soliton state of a Bose-Einstein condensate

A method for stabilizing frequency based on using the soliton state of the Bose-Einstein condensate of alkali metal atoms as an atomic source was suggested. The critical total number of lithium condensate particles at which the existence of a quasi-one-dimensional soliton in the condensate was possible and the lifetime of such a soliton were estimated. The attainable accuracy of measuring reference transition frequencies in the suggested standard was shown to be substantially higher than with the known quantum frequency standards.     

Experimental observation of quantum corrections to electrical resistivity in nanocrystalline soft magnetic alloys

X-ray diffraction patterns of nanocrystalline Fe-Cu-Nb-Si-B (FINEMET) alloys reveal that bcc α-Fe/α-FeSi crystallites with the average grain size of 20(5) nm are dispersed in amorphous matrix. Enhanced electron—electron interaction (EEI) and quantum interference (QI) effects as well as electron-magnon (and/or electron-spin fluctuation) scattering turn out to be the main mechanisms that govern the temperature dependence of resistivity. Of all the inelastic scattering processes, inelastic electron-phonon scattering is the most effective mechanism to destroy phase coherence of electron wave functions. The diffusion constant, density of states at the Fermi level and the inelastic scattering time have been estimated, for the first time, for the alloys in question Article presented at the International Symposium on Advances in Superconductivity and Magnetism: Materials, Mechanisms and Devices, ASMM2D-2001, 25–28 September 2001, Mangalore, India.     

Matrix perturbation theory for driven three‐level systems with damping

We investigate the dynamics of the Λ system driven by two resonant laser fields in presence of dissipation for coupling strengths where the rotating‐wave approximation starts to break down. This regime is characterised by Rabi frequencies being approximately equal or smaller than the field frequencies. A systematic procedure to obtain an expansion for the solution of the Bloch evolution equations of the system is presented. The lowest contribution results to be the well‐known rotating‐wave approximation. The method is based on a semi‐classical treatment of the problem, and its predictions are interpreted fully quantum mechanically. The theory is illustrated by a detailed study of the disappearance of coherent population trapping as the intensities of the fields increase.