Unmixing of binary alloys by a vacancy mechanism of diffusion: a computer simulation

The initial stages of phase separation are studied for a model binary alloy (AB) with pairwise interactions _AA , _AB , _BB between nearest neighbors, assuming that there is no direct interchange of neighboring atoms possible, but only an indirect one mediated by vacancies (V) occurring in the system at a concentrationc _v and which are strictly conserved, as are the concentrationsc _A andc _B of the two species.A-atoms may jump to vacant sites with jump rate _A , B-atoms with jump rate _B (in the absence of interactions). Particular attention is paid to the question to what extent nonuniform distribution of vacancies affects the unmixing kinetics. Our study focuses on the special case _A = _B on a square lattice, considering three different choices of interactions with the same = _AB – ( _AA + _BB )/2: (i) _AB =, _AA = _BB = 0; (ii) _AA = 0, _AA = _BB ; = ; (iii) _AB = _BB = 0, _AA = –2. We obtain both the time evolution of the structure factorS(k,t) following a quench from infinite temperature to the considered temperature, and the timedependence of the mean cluster size and the various neighborhood probabilities of a vacancy. While in case (i) forc _V 0.16 the distribution of vacancies in the system stays nearly random, in case (ii) the vacancies cluster in theA-B interfacial region, and in case (iii) they get nearly completely expelled from theA-rich regions. While phase separation proceeds in case (i) only slightly faster than in case (ii), a significant slowing down of the relaxation is observed for case (iii), which shows up in a strong reduction of the effective exponents describing the growth.     

Geometric expansion of the boundary free energy of a dilute gas

We consider a dilute classical gas in a volume ^–1 which tends to ^d by dilation as 0. We prove that the pressurep(^–1) isC ^q in at =0 (thermodynamic limit), for anyq, provided the boundary isC ^q and provided the Ursell functionsu _n (x ₁, ...,x _n) admit moments of degreeq and have nice derivatives.     

On the Hamiltonian interpolation of near-to-the identity symplectic mappings with application to symplectic integration algorithms

We reconsider the problem of the Hamiltonian interpolation of symplectic mappings. Following Moser's scheme, we prove that for any mapping , analytic and -close to the identity, there exists an analytic autonomous Hamiltonian system, H such that its time-one mapping _H differs from by a quantity exponentially small in 1/. This result is applied, in particular, to the problem of numerical integration of Hamiltonian systems by symplectic algorithms; it turns out that, when using an analytic symplectic algorithm of orders to integrate a Hamiltonian systemK, one actually follows exactly, namely within the computer roundoff error, the trajectories of the interpolating Hamiltonian H, or equivalently of the rescaled Hamiltonian K=^-1H, which differs fromK, but turns out to be ⁵ close to it. Special attention is devoted to numerical integration for scattering problems.     

The Schrödinger equation and canonical perturbation theory

LetT ₀(, )+V be the Schrödinger operator corresponding to the classical HamiltonianH ₀()+V, whereH ₀() is thed-dimensional harmonic oscillator with non-resonant frequencies =(₁, ... , _d ) and the potentialV(q ₁, ... ,q _d) is an entire function of order (d+1)^–1. We prove that the algorithm of classical, canonical perturbation theory can be applied to the Schrödinger equation in the Bargmann representation. As a consequence, each term of the Rayleigh-Schrödinger series near any eigenvalue ofT ₀(, ) admits a convergent expansion in powers of of initial point the corresponding term of the classical Birkhoff expansion. Moreover ifV is an even polynomial, the above result and the KAM theorem show that all eigenvalues _n (, ) ofT ₀+V such thatn coincides with a KAM torus are given, up to order , by a quantization formula which reduces to the Bohr-Sommerfeld one up to first order terms in .     

On the cauchy problem for the discrete Boltzmann equation with initial values inL 1 + (ℝ)

We prove a global existence theorem for a discrete velocity model of the Boltzmann equation when the initial values _i (x) have finite entropy and, for some constant>0, (1+|x|) _i (x)L ₁ ⁺ ().     

Automatic measurement of the complex permittivity at millimeter wavelengths

A measuring system including an oversized cavity resonator operating in the TE₀₁ mode for the determination of the complex permittivity - j of low-loss liquids at frequencies of about 36 GHz is described. While is obtained by wavelength measurements in the filled and the empty resonator, is determined from the variation of the Q factor of the filled resonator with the length of the dielectric sample. The Q factors of values of about 2·10⁴ to 10⁵ can be measured automatically by means of a desk calculator which controls the frequency and collects the digitized values of the detector output voltage. By means of the calculator, the Q factors of the resonator are determined by fitting analytical (Lorentzian) resonance curves to the measurement data. and the Q factor for zero sample length are calculated according to Göttmann's methods.     

Non-commutative spheres

LetA be the irrational rotation algebra, i.e. theC ^*-algebra generated by two unitariesU, V satisfyingVU=e ²ⁱ UV, with irrational, and consider the fixed point subalgebraB under the flip automorphismUU ^–1,VV ^–1. We prove thatB is an AF-algebra.Dedicated to Professor Huzihiro Araki on the occasion of his 60'th birthday     

Dynamical chaos in the highly excited states of a quantum Daffing oscillator in an external harmonic field

The energy spectrum of the highly excited states of a quantum Daffing oscillator is considered. It is shown that the energy levels satisfy E_n>E_n+1 and E_n -F²/8², when n , where F² and are the intensity and frequency of the external field. It is suggested that this property of the spectrum is the quantum manifestation of a stochastic attractor in the classical nonlinear limit. This property also takes place for large F².Omsk State University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 90–94, March. 1993.     

Generalized q-Modified Laguerre Functions

In this paper we define a new q-special function A _n (x, b, c; q). The new function is a generalization of the q-Laguerre function and the Stieltjes–Wigert function. We deduced all the properties of the function A _n (x, b, c; q). Finally, lim _q1 A _n ((1 – q)x, –, 1;q) gives L _n ^(,)(x,q), which is a -modification of the ordinary Laguerre function.     

gl q (n) and quantum monodromy

A generalized Toda lattice based on gl(n) is considered. The Poisson brackets are expressed in terms of a Lax connection, L=–() and a classical r-matrix, {₁,₂}=[r,₁+₂}. The essential point is that the local lattice transfer matrix is taken to be the ordinary exponential, T=e; this assures the intepretation of the local and the global transfer matrices in terms of monodromy, which is not true of the T-matrix used for the sl(n) Toda lattice. To relate this exponential transfer matrix to the more manageable and traditional factorized form, it is necessary to make specific assumptions about the equal time operator product expansions. The simplest possible assumptions lead to an equivalent, factorized expression for T, in terms of operators in (an extension of) the enveloping algebra of gl(n). Restricted to sl(n), and to multiplicity-free representations, these operators satisfy the commutation relations of sl _q (n), which provides a very simple injection of sl _q (n) into the enveloping algebra of sl(n). A deformed coproduct, similar in form to the familiar coproduct on sl _q (n), turns gl(n) into a deformed Hopf algebra gl _q (n). It contains sl _q (n) as a subalgebra, but not as a sub-Hopf algebra.     

Fine Structures of the Permittivity and Characteristic Losses of Electrons in Fluorite

Experimental-computational spectra of the permittivity and characteristic losses –Im^–1 for energies in the range 5–21 eV at a temperature of 4.2 K and theoretical spectra of and –Im^–1 of a fluorite crystal are resolved into elementary transition bands. The parameters of transition bands (energies of their maxima E _i, band halfwidths H _i and areas S _i, and oscillator forces f _i) are determined. A correlation of the spectral bands of and –Im^–1is established, and their specific features are elucidated.     

Compactness and the maximal Gibbs state for random Gibbs fields on a lattice

We prove for a general class of Gibbsian Random Field on that the set of tempered Gibbs states is compact. This class contains the Euclidean random fields. Moreover if the interaction is attractive, there is a unique minimal and maximal Gibbs state _– and ₊×_± are unique translation invariant ant and have the global Markov property. We also prove that uniqueness of the tempered Gibbs state is equivalent to the magnetizationsm _±=_±(q _x ) being equal which is true if the pressure is differentiable.     

The Anisotropic Free Energy of the Solid-Liquid Phase Boundary in Al

We have performed large-scale molecular dynamics simulations of solid-liquid interfaces in aluminum, in order to calculate their interfacial stiffness and free energy. The anisotropy of these properties, though small, is key for determining the steady-state solutions for solidification in three dimensions. We find that the interfacial free energy, (), can be well represented by the form () = ₀(1 + cos 4, where measures the angle relative to the [100] interface, rotating about a [001] direction. We find values of ₀ = 120 ± 6 mJ/m² and = 1.3 ± 0.4%, in agreement with previous estimates and current experimental results.     

The chiral determinant and the eta invariant

For { _y },y, a one parameter family of invertible Weyl operators of possibly non-zero index acting on spinors over an even dimensional compact manifoldX, we express the phase of the chiral determinant det _– in terms of the invariant of a Dirac operator acting on spinors over ×X.Supported in part by NSF Grant No. PHY-82-15249Supported in part by NSF Grant PHY 8605978 and the Robert A. Welch Foundation     

Correlation functions of the 1-D coulomb gas,solitons and the 1-D Fermi gas

We study various correlation functions of the classical one-dimensional two component Coulomb gas (1-D CG). As a first example the dielectric function _q is considered. Explicit expressions for the first two terms of the long-wavelength expansion of _q ^-1 are rigorously derived by extending the method of Edwards and Lenard. On account of the equivalence between the 1-D CG and the sine-Gordon (SG) model _q can also be viewed as a correlation function of the SG field and the effects of small amplitude oscillations and of solitons can be traced in _q . We show that the nonmetallic nature of the 1-D CG is solely attributable to solitons. A similar analysis is carried out for other correlation functions. We establish a relation between these correlation functions and certain response functions of a one-dimensional Fermi gas by exploiting the known equivalence between the backward-scattering model of the Fermi gas and a 2-D CG on the surface of a cylinder and by investigating the conditions under which this 2-D CG can be considered one-dimensional.     

Frequency Dependence of the Components of Dielectric Permeability and Characteristic Losses of Fluorite

The ₁(E), –Im^–1, and Re^–1 spectra of the fluorite crystal are calculated on the basis of the experimental (10–35 eV) and theoretical spectra ₂(E) (10–27 and 8–20 eV). They were employed to decompose the ₂(E) and –Im^–1 spectra into elementary components. The most intense transverse and longitudinal components of transitions and their parameters have been determined. The correlation between two types of components of transitions and their distinguishing features have been established.     

Zero value of the Schwarzschild mass for an asymptotically Euclidian system of gravitational waves

A class of the asymptotically Euclidian space-times is shown to exist for which the Schwarzschild mass is equal to zero. The coordinate atlases of these space-times satisfy two additional conditions: _k (-gg ^0k )=0 and _ik ⁰ _0g ^ik - _ik ^k _0g ⁰ⁱ =0. In aT-orthogonal metricgs ²=g ₀₀ dt ² -g dx dx these conditions take a simple form: ₀(detg )=0 and (₀ g )(₀ g )=0.     

Some remarkable degenerations of quantum groups

We show that an irreducible representation of a quantized enveloping algebraU at a ^th root of 1 has maximal dimension (= ^N ) if the corresponding symplectic leaf has maximal dimension (=2N). The method of the proof consists of a construction of a sequence of degenerations ofU , the last one being aq-commutative algebraU ^(2N) . This allows us to reduce many problems concerningU to that concerningU ^(2N) .To Armand Borel on his 70^th birthdaySupported in part by the NSF grant DMS-9103792     

Quantum supports and modal logic

LetA be a quasi-manual with finite operations. Associate to each E = {e ₁ ,..., e_n} A the set _E of modal formulas: (e ₁ ··· e_n), e_i (e ₁ ··· e_i–1 e_i+1 ··· e_n), i=1,..., n. Set _A = {_E|E A}. We show that supports ofA are in one-to-one correspondence with certain Kripke models of _A where the supports are given by {x |A x is true}.On leave from the Department of Mathematics, Pontificia Universidade Catolica, Rio de Janeiro, Brazil.     

First order phase transitions studied in the dynamical ensemble

A knowledge of the density of states () of a many particle system ( is the energy per particle) contains the complete information about its thermal behaviour. In this paper it will be demonstrated that () can very efficiently and precisely be determined by a Monte Carlo calculation in an ensemble where the system of interest is coupled to another system of comparable size. This is in contrast to the canonical approach where the system of interest is coupled to an infinite bath at a temperatureT. The usefulness of the approach will be demonstrated for theq-states Potts model withq=4, 5, and 8 where the numerical data can be compared with exact results. In our numerical data we can clearly identify a first order phase transition forq5 and a second order transition forq=4.