Electron spin relaxation of radicals in weak magnetic fields

The review summarizes the results of studies on specific features of spin relaxation of radicals in liquids in weak magnetic fields. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 1642–1654, October, 2006.     

A Newton/upwind method and numerical study of shock wave/boundary layer interactions

The objective of the paper is twofold. First we describe an upwind/central differencing method for solving the steady Navier–Stokes equations. The symmetric line relaxation method is used to solve the resulting algebraic system to achieve high computational efficiency. The grid spacings used in the calculations are determined from the triple-deck theory, in terms of Mach and Reynolds numbers and other flow parameters. Thus the accuracy of the numerical solutions is improved by comparing them with experimental, analytical and other computational results. Secondly we proceed to study numerically the shock wave/boundary layer interactions in detail, with special attention given to the flow separation. The concept of free interaction is confirmed. Although the separated region varies with Mach and Reynolds numbers, we find that the transverse velocity component behind the incident shock, which has not been identified heretofore, is also an important parameter. A small change of this quantity is sufficient to eliminate the flow separation entirely.     

Electronic Relaxation in Indium Oxide Films Studied with Perturbed Angular Correlations

The electronic relaxation due to the ¹¹¹In → ¹¹¹Cd electron capture process was studied by measuring perturbed γγ-angular correlations after ¹¹¹In-ion implantation into indium oxide films of various compositions and thicknesses and deposited on different substrates. X-ray diffraction, Rutherford backscattering and secondary ion mass spectrometry were used to characterize the microstructure and composition of the samples. The film thickness and type of substrate were found to have much less influence on the after effect than the deposition parameters and impurities.     

Viscoelastic dilatation processes of fluid/fluid interfaces: time-domain representation

Dynamic interfacial phenomena are shown to be most satisfactorily interpreted within the general framework of the theory for system analysis. All time-dependent dilational behaviours of interfaces can be quantitatively predicted from knowledge of the dilational modulus, that is, of the transfer function of the interfacial system.The unifying mathematical formalism allows traditional experiments, known in the literature, to be connected one to another.The presented relationships are also the foundations of the transient techniques for the measurement of interfacial quantities.Problems involving diffusive surface relaxation in quiescent hydrodynamic conditions are easily analytically or numerically solved. Other complex relaxation mechanisms introduce no additional conceptual complication.     

A new class of gas-kinetic relaxation schemes for the compressible Euler equations

Starting from the gas-kinetic model, a new class of relaxation schemes for the Euler equations is presented. In contrast to the Riemann solver, these schemes provide a multidimensional dynamical gas evolution model, which combines both Lax-Wendroff and kinetic flux vector splitting schemes, and their coupling is based on the fact that a nonequilibrium state will evolve into an equilibrium state along with the increase of entropy. The numerical fluxes are constructed without getting into the details of the particle collisions. The results for many well-defined test cases are presented to indicate the robustness and accuracy of the current scheme.     

Depolarized light scattering from liquids: Rotations,collisions, and hydrodynamics

VH depolarized light scattering from liquids composed of symmetric top molecules is discussed. The dielectric fluctuations which give rise to the spectrum form an orientational and collisional (or intermolecular) contribution, and cross-correlation between the two can occur. The problem of disentangling the orientational from the collisional effects is shown to be possible, at least within the context of a generalized hydrodynamic model, because of the coupling of rotations and intermolecular interactions to hydrodynamic shear modes. A simple generalized hydrodynamic model is proposed which is successful in describing the observed spctra with an appropriate number of theoretical transport coefficients treated as adjustable parameters. Though this model is quite successful, and though the coefficients can all be described in physically meaningful and mathematically precise molecular terms, it must still be taken as a phenomenological theory until the fitted values of the coefficients can be compared with values calculated from the molecular expressions.     

Femtosecond Dynamics of Optically Induced Anisotropy of Complex Molecules in the Gas Phase

The evolution of optically induced anisotropy in an equilibrium ensemble of free asymmetric tops under collisionless conditions has been investigated theoretically and experimentally. The dynamics of the orientation correlation functions has been studied, the results of femtosecond experiments on measurement of relaxation of the optically induced anisotropy for perylene in the gas phase are presented, and their interpretation within the framework of the theory developed is given. It is shown that in contrast to stationary anisotropy, its time kinetics has more complete characteristic information about the dynamics of vector correlations in a molecular ensemble.     

Phosphorescence of thin benzophenone films

Institute of Physics, National Academy of Sciences of Ukraine, 46, Prospekt Nauki, Kiev 252650 Ukraine. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 62, No. 3, pp. 117–121, May–June, 1995.     

Constraint Programming Based Lagrangian Relaxation for the Automatic Recording Problem

Whereas CP methods are strong with respect to the detection of local infeasibilities, OR approaches have powerful optimization abilities that ground on tight global bounds on the objective. An integration of propagation ideas from CP and Lagrangian relaxation techniques from OR combines the merits of both approaches. We introduce a general way of how linear optimization constraints can strengthen their propagation abilities via Lagrangian relaxation. The method is evaluated on a set of benchmark problems stemming from a multimedia application. The experiments show the superiority of the combined method compared with a pure OR approach and an algorithm based on two independent optimization constraints.     

Atomic and electronic structure of steps and kinks on MgO(100) and MgO(110)

The electronic and atomic structure of vicinal MgO surfaces are studied using a quantum self-consistent method associated with a geometry optimization code. 10n, (n + 1)0n and n1n surfaces, with periodic monoatomic steps separating {001} or {101} terraces, are considered. Diatomic steps along the {10n} orientation and periodic kinks on the {3 1 10} surface are also modelled. We assign most electronic peculiarities of stepped surfaces to the values of the Madelung potential acting on the under-coordinated atoms, which is a function of their first and second coordination numbers. An analytical model is proposed to explain the bond contractions around these atoms. Finally the microscopic contributions to the step energy are discussed, together with the strength of the step interaction as a function of their separation.