Kinetic theory of adsorption and desorption

In this paper we use stochastic methods to discuss adsorption and desorption. The paper derives generalized coefficients of sticking and accomodation depending on surface temperatureT _s and gas temperatureT _g and shows, that for additive Markov processes, these kinetic coefficients are identical. Furthermore, exact solutions of the kinetic equations for certain simple transition probabilitiesP(, ) are found and an approximation method for more complicatedP(, ) is given. The comparison of the theory with experimental results for noble gas-metal systems indicate a quadratic relationship between the first moment of the transition probabilityP(, ) and the well depth of the physisorption system.     

P-polarized nonlinear surface polaritons near the surface of a saturable self-defocusing medium: Threshold case

We have obtained the solution of the stationary problem for P-polarized nonlinear surface polaritons (NLSP) near the interface of two media, one of which is optically linear and the other having an optical nonlinearity with saturation and a dielectric function of the form: =_xx=_zz=₀+a|E|²/(1+b|E|²), where E is the amplitude of the electric field. On this basis the NLSP energy and propagation properties, the polarization structure and the localization depth of the NLSP field as well as the physically allowed region in the parameter space have been investigated for the case in which the parameter ₀ is positive, b is non-negative, and a and ₁ are negative (₁ is the dielectric function of the linear medium); ₀>|₁|.     

Kinetic limits of the HPP cellular automaton

We study the Boltzmann-Grad limit in various versions of the two-dimensional HPP cellular automaton. In the completely deterministic case we prove convergence to an evolution that is not of kinetic type, a well-known phenomenon after Uchyiama's paper on the Broadwell gas, whereas the limiting equation becomes of kinetic type in the model with random collisions. The main part of the paper concerns the case where the collisions are deterministic and the randomness comes from inserting, between any two successive HPP updatings, ^- stirring updatings, <1 being any fixed positive number and a parameter which tends to 0. The initial measure is a product measure with average occupation numbers of the order of (low-density limit) and varying on distances of the order of ^–1. The limit as 0 of the system evolved for times of the order of ^-1- corresponds to the Boltzmann-Grad limit. We prove propagation of chaos and that the renormalized average occupation numbers (i.e., divided by) converge to the solution of the Broadwell equation. Convergence is proven at all times for which the solution of the Broadwell equation is bounded.     

Scattering states and bound states in λ℘(φ)2

By analyzing the Bethe-Salpeter equation for even ()₂ models we show that for weak coupling the mass spectrum is discrete and of finite multiplicity below 2m. Moreover on even states of energy less than 4(m–) we show that theS matrix is unitary. Herem is the physical mass and =()0 as 0. Our results rely essentially only on a simple assumption about the analyticity of the Bethe-Salpeter kernel which has been verified for weak coupling. For the interaction ⁴, (/m _o ² 1) we show that there are no even bound states of energy less than 4(m–).Work supported in part by NSF, Grant MPS 74-13252     

A limit theorem for stochastic acceleration

We consider the motion of a particle in a weak mean zero random force fieldF, which depends on the position,x(t), and the velocity,v(t)= (t). The equation of motion is (t)=F(x(t),v(t), ), wherex(·) andv(·) take values in ^d ,d3, and ranges over some probability space. We show, under suitable mixing and moment conditions onF, that as 0,v (t)v(t/²) converges weakly to a diffusion Markov processv(t), and ² x (t) converges weakly to , wherex=lim ² x (0).     

The Statistics of the Trajectory of a Certain Billiard in a Flat Two-Torus

We consider a billiard in the punctured torus obtained by removing a small disk of radius >0 from the flat torus ², with trajectory starting from the center of the puncture. In this case the phase space is given by the range of the velocity only. Let (), and respectively R(), denote the first exit time (length of the trajectory), and respectively the number of collisions with the side cushions when ² is being identified with [0,1)². We prove that the probability measures on [0, ) associated with the random variables and R are weakly convergent as 0⁺ and explicitly compute the densities of the limits. Research partially supported by ANSTI grant C6189/2000.     

Electronic absorption and emission spectral data and fluorescence quantum yields of bridgedp-oligophenylenes,bi- to deciphenyls,and related furans and carbazoles

Absorption and fluorescence emission spectral data, as well as fluorescence quantum yields (_f), were determined for 41p-oligophenylene compounds containing 2–6, 8, and 10 benzene rings. Of 29 compounds containing carbon-bridged rings (fluorenes), 28 were dialkylated on each bridge for improved solubility and photostability. Absorption maxima for oligophenylenes were observed at wavelengths as long as 366 nm, emission maxima to 437 nm, and molar extinction coefficients () as large as 153,000 L/mol-cm; all three exceeded predicted maximum values for the corresponding unbridged oligophenylenes. The substitution of furan for benzene or carbazole for a fluorene (two examples each) bathochromically shifted absorption and emission maxima. Dialkylated carbon bridges bathochromically shifted absorption and emission maxima, and lowered _f in biphenyl and in one terphenyl analogue, but appeared to cause no diminution of _f in higher oligophenylenes. Bis(2-methoxyethyl) substitution on the bridges, incorporated to provide solubility in polar solvents, lowered _f in all examples. Tertiary alkyl substituents on terminal rings bathochromically shifted the absorption and emission maxima and generally increased _f. The loose bolt effect, which lowers _f in mononuclear substituted benzenes, may operate in 9,9-dialkylfluorenes, but not in 2,7-di-t-butylfluorene or in higher oligophenylenes. Cyclic ether and methoxy substituents as auxofluors on terminal rings generally bathochromically shifted absorption and emission maxima and increased and _f. Cyano substituents bathochromically shifted absorption and emission maxima, and increased , but lowered _f slightly.     

Accurate calculation of functional determinants

A dependence of the functional determinant of the operator from the family D() satisfying the condition D()=fD()+D()f on the parameter m² of infrared regularization is found in the regularization method using a generalized function.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 6, pp. 27–32, June, 1988.     

Spectral behavior of quasi periodic potentials

Spectral properties of Schrödinger operators of the typeH =–+V, where is the Laplacian,V a quasiperiodic potential and a coupling constant, are developed.V is taken to be finite sum of exponentials with generic frequencies. For small a strong stability is shown. On the other hand, examples (in the finite diffeence case) are given, for which a transition in the type of spectrum occurs, as is increased.Research supported in part by grant NSF MCS 7900813     

Effective Dynamics for Bloch Electrons: Peierls Substitution and Beyond

We consider an electron moving in a periodic potential and subject to an additional slowly varying external electrostatic potential, (x), and vector potential A(x), with x ^d and 1. We prove that associated to an isolated family of Bloch bands there exists an almost invariant subspace of L ² ( ^d ) and an effective Hamiltonian governing the evolution inside this subspace to all orders in . To leading order the effective Hamiltonian is given through the Peierls substitution. We explicitly compute the first order correction. From a semiclassical analysis of this effective quantum Hamiltonian we establish the first order correction to the standard semiclassical model of solid state physics.     

Equilibrium fluctuations for interacting Brownian particles

We consider an infinitely extended system of Brownian particles interacting by a pair force-gradV. Their initial distribution is stationary and given by the Gibbs measure associated with the potentialV with fugacityz. We assume thatV is symmetric, finite range, three times continuously differentiable, superstable, and positive and that the fugacity is small in the sense that 0z0.28/edq(1-e ^–V(q)). In addition a certain essential self-adjointness property is assumed. We prove then that the time-dependent fluctuations in the density on a spatial scale of order ^–1 and on a time scale of order ^–2 converge as 0 to a Gaussian field with covariance dqg(q)(e ^(/2)|t| f)(q) withp the density and the compressibility.     

Dielectric properties of NaCl1−xBr and KCl1−xBrx mixed ionic solution

In the present paper a three-body potential model (TBPM) has been employed for the analysis of dielectric behaviour of NaCl-NaBr and and KCl-KBr mixed crystals with varying compositions. The physical properties like dielectric constants ( ₀ and ), optic mode frequencies ( _OLO and _TO), effective charge parameter (e _s ^* ), optic mode Grüneisen parameters and strain derivatives of ₀ and dielectric constants have been calculated. The results achieved in the present study are found in fairly good agreement with the available experimental data. The results obtained by previous investigators are also shown for the sake of comparison.     

Natural boundaries for area-preserving twist maps

We consider KAM invariant curves for generalizations of the standard map of the form (x, y)=(x+y, y+f(x)), wheref(x) is an odd trigonometric polynomial. We study numerically their analytic properties by a Padé approximant method applied to the function which conjugates the dynamics to a rotation +. In the complex plane, natural boundaries of different shapes are found. In the complex plane the analyticity region appears to be a strip bounded by a natural boundary, whose width tends linearly to 0 as tends to the critical value.     

One-dimensional harmonic lattice caricature of hydrodynamics

We derive the hydrodynamic (Euler) approximation for the harmonic time evolution of infinite classical oscillator system on one-dimensional lattice ¹ It is known that equilibrium (i.e., time-invariant attractive) states for this model are translationally invariant Gaussian ones, with the mean 0, which satisfy some linear relations involving the interaction quadratic form. The natural parameter characterizing equilibrium states is the spectral density matrix function (SDMF)F(), [– , ). Time evolution of a space profile of local equilibrium parameters is described by a space-time SDMFF(t;x, ) t, xR ¹. The hydrodynamic equation forF(t; x, ) which we derive in this paper means that the normal mode profiles indexed by are moving according to linear laws and are mutually independent. The procedure of deriving the hydrodynamic equation is the following: We fix an initial SDMF profileF(x, ) and a familyP ,>0 of mean 0 states which satisfy the two conditions imposed on the covariance of spins at various lattice points: (a) the covariance at points close to the value ^–1 x in the stateP is approximately described by the SDMFF(x, ); (b) The covariance (on large distances) decreases with distance quickly enough and uniformly in. Given nonzerotR ¹, we consider the states P _–1 ,>0, describing the system at the time moments ^–1 t during its harmonic time evolution. We check that the covariance at lattice points close to ^–1 x in the state P _–1 is approximately described by a SDMFF(t;x, ) and establish the connection betweenF(t; x, ) andF(x,).     

Retardation of electromagnetic waves by helices of large diameters

This paper is devoted to the study of the wave retardation by helices of large diameters, when the lengthL of one turn of the helix is larger than the vacuum wavelength, i.e.L/>1. The dispersion equation of the tape helix wound up on a dielectric cylinder was derived and the dependence of the phase velocity of slowed-down waves on the diameter of helix was calculated. The theory was verified experimentally at a frequencyf=2·385 GHz. Helices were wound up on polyfoam (=1·04) and plexiglass (=2·55) cylinders of various diameters. For the helix wound up on plexiglass cylinders it was found that the wave retardation depends on the form of conductor from which the helix is made. The retardation of waves is determined by an effective dielectric constant _ef which is equal either ( _i + _e)/2 for the tape helix or ( _{i e}) for the helix made from a wire of the circular cross-section; here _i is the dielectric constant of inner dielectric rod and _e is that of outer space.     

Partial diagonalization in solving electron-nuclear problems in molecules

The problem of determining the total wave functions and energies of molecular stationary states reduces to solving a Schrödinger equation with a vibrational-rotational Hamiltonian. This is achieved by a unitary transformation of the molecular Hamiltonian H with its successive diagonalization on a nondegenerate electronic state ¦e. It is shown that the molecular wave functions related to the electronic states ¦e are of the form G¦e¦g_(e), and their corresponding energy value is the sum _e + _g ^(e), where _g ^(e) and ¦g^(e) are the eigenvalues and eigenfunctions of the vibrational-rotational Hamiltonian, determined by means of the unitary operator G. It is shown that the total energy and molecular wave functions are uniquely determined, despite the arbitrariness in choosing G. As an example the vibrational-rotational operator and molecular wave functions are given for the simplest choice of the operator G.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 11–16, March, 1975.     

Calculations of TM-polarized nonlinear waves guided by thin dielectric films

We found the dispersion relations for TM-polarized nonlinear waves guided by a dielectric film of thicknessd bounded on one side by a nonlinear uniaxial medium characterized by a dielectric tensor _xx = _y = _c , _zz = _c + _c |E _z |², _c >0 (self-focusing medium),E _z being the electric-field component perpendicular to the surfaces. Numerical calculations are given for the power dependence of the propagation wave vector. For sufficiently larged/ (: wavelength) we have found regions with multiple solutions corresponding to the same power flow. This suggests possible applications to optical devices.     

Asymptotic theory of multidimensional chaos

A delay-differential equationu(t)+u(t)=f(u(t–1)), 0t < , and its generalization are investigated in the limit 0, when the attractor's dimension increases infinitely. It is shown that a number of statistical characteristics are asymptotically independent of. As for the attractor, it can be regarded as a direct product ofO(1/) equivalent subattractors, their statistical characteristics being asymptotically independent of . The results enable one to predict some characteristics of the attractor with fractal dimensionD 1 for the case 1, when they are inaccessible numerically. The approach developed seems to be applicable for a wide class of spatiotemporal systems.     

Self-consistent perturbation theory for dynamics of valence fluctuations

Dynamical properties of valence-fluctuating systems are studied at absolute zero of temperature. The self-consistent perturbation theory developed for rare-earth impurity systems is used with some refinement. The theory takes account of the orthogonality catastrophe caused by hybridization of 4f and conduction electrons. Extensive numerical results are reported for the 4f-electron density of states _4f () and the dynamical magnetic susceptibility (). The results cover both the intermediate-valence and nearly integral-valence regimes of a model Ce impurity system. The present theory gives reasonable overall feature of dynamics including a sharp peak in _4f (0) in the Kondo regime. However, the low-frequency limit of dynamical quantities is not consistent with the Fermi-liquid property. It is shown that interpolation of the present results and those by the Fermi-liquid theory is possible. Hence accurate dynamical information is obtained over a wide excitation-frequency range.     

Static and dynamic properties of XY systems with extended defects in cubic anisotropic crystallines

Static and dynamic critical behavior ofXY systems in cubic anisotropic crystallines, with extended defects (or quenched nonmagnetic impurities) strongly correlated along _d -dimensional space and randomly distributed ind – _d dimensions, were studied. These extended defects make the systems coordinate anisotropic, resulting in unique critical behavior due to competition between the cubic anisotropy and the coordinate anisotropy. The systems were analyzed by an ^1/2 (4 – d) type of expansion with double expansion parameters based on a renormalization-group (RG) approach. Critical exponents were calculated near the second-order phase transition point and the behavior of the first-order transition was evaluated near the tricritical point.