Energy law preserving C finite element schemes for phase field models in two-phase flow computations

We use the idea in [33] to develop the energy law preserving method and compute the diffusive interface (phase-field) models of Allen–Cahn and Cahn–Hilliard type, respectively, governing the motion of two-phase incompressible flows. We discretize these two models using a C⁰ finite element in space and a modified midpoint scheme in time. To increase the stability in the pressure variable we treat the divergence free condition by a penalty formulation, under which the discrete energy law can still be derived for these diffusive interface models. Through an example we demonstrate that the energy law preserving method is beneficial for computing these multi-phase flow models. We also demonstrate that when applying the energy law preserving method to the model of Cahn–Hilliard type, un-physical interfacial oscillations may occur. We examine the source of such oscillations and a remedy is presented to eliminate the oscillations. A few two-phase incompressible flow examples are computed to show the good performance of our method.     

Measurements and calculations of self-broadening coefficients of lines belonging to the v2 band of H216O

The self-broadening coefficients of 150 lines belonging to the v₂ band of H₂¹⁶O between 1770 and 2250 cm^-1 have been measured using Fourier transform spectra (resolution ≈ 0.005 cm^-1). The four different methods which have been used to deduce the self-broadening coefficients from experiment are described in detail. The estimated average uncertainty is about 15% and varies from 7 to 30%, depending on the method used and on the line involved. Two theoretical calculations, one based on the Anderson-Tsao-Curnutte method and the other on the recent method proposed by Davies, have been performed, retaining only the dipole-dipole interaction. For some lines of the v₂ band and for some pure rotation lines, calculations based on other formalisms have also been performed. For all of these calculations, we have used accurate spectroscopic data: precise energy levels, realistic wavefunctions, and a complete dipole-moment operator expansion in order to compute the transition probabilities. As compared to the previously calculated values of the pioneering work of Benedict and Kaplan, where the Anderson-Tsao-Curnutte method was used, our calculations show improvements by about 14% in the agreement between measured and calculated self-broadening coefficients.     

Large order expansion in perturbation theory

We investigate the large n behavior of the perturbation coefficients E_n for the ground state energy of the anharmonic oscillator, considered as a field theory in one space-time dimension. We combine the saddle point expansion for functional integrals introduced in this context by Lipatov with the dispersion relation (in coupling constant) used by Bender and Wu. The complete Feynman rules for the expansion in $\text{1}\text{n}$ are worked out, and we compute the first two terms, which agree with those computed by Bender and Wu using the WKB approximation. One feature of our analysis is a deformation of the integration contour in function space as one analytically continues in the coupling.     

Nine-propagator master integrals for massless three-loop form factors

We complete the calculation of master integrals for massless three-loop form factors by computing the previously-unknown three diagrams with nine propagators in dimensional regularisation. Each of the integrals yields a six-fold Mellin–Barnes representation which we use to compute the coefficients of the Laurent expansion in ?. Using Riemann ζ functions of up to weight six, we give fully analytic results for one integral; for a second, analytic results for all but the finite term; for the third, analytic results for all but the last two coefficients in the Laurent expansion. The remaining coefficients are given numerically to sufficiently high accuracy for phenomenological applications.     

Hausdorff and Packing Spectra,Large Deviations,and Free Energy for Branching Random Walks in {\mathbb{R}^d}

Consider an \({\mathbb{R}^d}\) -valued branching random walk (BRW) on a supercritical Galton Watson tree. Without any assumption on the distribution of this BRW we compute, almost surely and simultaneously, the Hausdorff and packing dimensions of the level sets E(K) of infinite branches in the boundary of the tree (endowed with its standard metric) along which the averages of the BRW have a given closed connected set of limit points K. This goes beyond multifractal analysis, which only considers those level sets when K ranges in the set of singletons \({\{\alpha\}, \alpha \in \mathbb{R}^d}\) . We also give a 0–∞ law for the Hausdorff and packing measures of the level sets E({α}), and compute the free energy of the associated logarithmically correlated random energy model in full generality. Moreover, our results complete the previous works on multifractal analysis by including the levels α which do not belong to the range of the gradient of the free energy. This covers in particular a situation that was until now badly understood, namely the case where a first order phase transition occurs. As a consequence of our study, we can also describe the whole singularity spectrum of Mandelbrot measures, as well as the associated free energy function (or L ^q -spectrum), when a first order phase transition occurs.     

Extended Thomas-Fermi theory at finite temperature

We present a generalization of the extended Thomas-Fermi (ETF) theory to finite temperatures T. Starting from the Wigner-Kirkwood expansion of the Bloch density in powers of , we derive the gradient expansion of the free energy and entropy density functionals $\text{F}$[ρ] and σ[ρ] up to fourth order with their correct temperature-dependent coefficients. (Effective mass and spin-orbit contributions are taken into account up to second order.) For a harmonic-oscillator potential we show that both the h-expansion of the free energy and the entropy and the gradient expansion of the functionals [ρ] and σ[ρ] converge very fast and yield the exact quantum-mechanical results for kT ? 3 MeV, where the shell effects are washed out. Finally we discuss the Euler variational equation obtained with the new functionals and use its numerical solutions for semi-infinite symmetric nuclear matter to test the quality of parametrized trial densities. As an application, we present liquid-drop model parameters, calculated with a realistic Skyrme interaction, as functions of the temperature.     

Spin glasses on Bethe lattices for large coordination number

We study spin glasses on random lattices with finite connectivity. In the infinite connectivity limit they reduce to the Sherrington Kirkpatrick model. In this paper we investigate the expansion around the high connectivity limit. Within the replica symmetry breaking scheme at two steps, we compute the free energy at the first order in the expansion in inverse powers of the average connectivity (z), both for the fixed connectivity and for the fluctuating connectivity random lattices. It is well known that the coefficient of the 1/z correction for the free energy is divergent at low temperatures if computed in the one step approximation. We find that this annoying divergence becomes much smaller if computed in the framework of the more accurate two steps breaking. Comparing the temperature dependance of the coefficients of this divergence in the replica symmetric, one step and two steps replica symmetry breaking, we conclude that this divergence is an artefact due to the use of a finite number of steps of replica symmetry breaking. The 1/z expansion is well defined also in the zero temperature limit. Received 15 July 2002 Published online 31 December 2002     

Heat Kernel Coefficients for Laplace Operators on the Spherical Suspension

In this paper we compute the coefficients of the heat kernel asymptotic expansion for Laplace operators acting on scalar functions defined on the so called spherical suspension (or Riemann cap) subjected to Dirichlet boundary conditions. By utilizing a contour integral representation of the spectral zeta function for the Laplacian on the spherical suspension we find its analytic continuation in the complex plane and its associated meromorphic structure. Thanks to the well known relation between the zeta function and the heat kernel obtainable via Mellin transform we compute the coefficients of the asymptotic expansion in arbitrary dimensions. The particular case of a d-dimensional sphere as the base manifold is studied as well and the first few heat kernel coefficients are given.     

The 1/r expansion for the critical multiple well problem

We consider the critical multiple well problem $$H = - \Delta + \sum\limits_{i = 1}^n {V(x - rx_i )} ,$$ where ?Δ+V(x) has a zero energy resonance. We prove that all eigenvalues and resonances ofH tending to zero as 1/r ² are analytic in 1/r. We give an explicit equation for the lowest nonvanishing coefficient in the 1/r expansion for any of these eigenvalues or resonances and observe thatH has infinitely many resonances tending to zero. Forn=2 andn=3, we compute the coefficients explicitly and forn=2, we also give the next coefficient in the 1/r expansion.     

How do black holes predict the sign of the Fourier coefficients of siegel modular forms?

Single centered supersymmetric black holes in four dimensions have spherically symmetric horizon and hence carry zero angular momentum. This leads to a specific sign of the helicity trace index associated with these black holes. Since the latter are given by the Fourier expansion coefficients of appropriate meromorphic modular forms of Sp(2,\mathbbZ){Sp(2,{\mathbb{Z}})} or its subgroup, we are led to a specific prediction for the signs of a subset of these Fourier coefficients which represent contributions from single centered black holes only. We explicitly test these predictions for the modular forms which compute the index of quarter BPS black holes in heterotic string theory on T ⁶, as well as in \mathbbZ_N{{\mathbb{Z}}_N} CHL models for N = 2, 3, 5, 7.     

Estimation of slow diffusion rates in confined systems: CCl4 in zeolite NaA

Often the rate of passage of gaseous molecules through model zeolites is too small to be computed directly. An estimate for the rate of passage of CCl₄ through the 8-ring window in a model of zeolite A has been obtained by combining a direct evaluation of the free energy profile and an adaptation of the rare events method. First the free energy profile is found from a direct evaluation of the canonical partition function at high dilution and the transition state theory rate constant obtained. The dynamic correction factor is then estimated from molecular dynamics runs and used to compute the actual rate k_eff. The method is used to estimate the rate of passage through the 8-ring window in a rigid model of zeolite A, and the results are compared with those obtained from rigid models with expanded windows and from the flexible model. Even a small expansion in the 8-ring window diameter increases the rate significantly, but the changes associated with a flexible cage are small.     

Analytic Structure and Power-Series Expansion of the Jost Matrix

For the Jost-matrix that describes the multi-channel scattering, the momentum dependencies at all the branching points on the Riemann surface are factorized analytically. The remaining single-valued matrix functions of the energy are expanded in the power-series near an arbitrary point in the complex energy plane. A systematic and accurate procedure has been developed for calculating the expansion coefficients. This makes it possible to obtain an analytic expression for the Jost-matrix (and therefore for the S-matrix) near an arbitrary point on the Riemann surface (within the domain of its analyticity) and thus to locate the resonant states as the S-matrix poles. This approach generalizes the standard effective-range expansion that now can be done not only near the threshold, but practically near an arbitrary point on the Riemann surface of the energy. Alternatively, The semi-analytic (power-series) expression of the Jost matrix can be used for extracting the resonance parameters from experimental data. In doing this, the expansion coefficients can be treated as fitting parameters to reproduce experimental data on the real axis (near a chosen center of expansion E ₀) and then the resulting semi-analytic matrix S(E) can be used at the nearby complex energies for locating the resonances. Similarly to the expansion procedure in the three-dimensional space, we obtain the expansion for the Jost function describing a quantum system in the space of two dimensions (motion on a plane), where the logarithmic branching point is present.     

Moment method and the Schrödinger equation in the large N limit

A new technique is presented for solving the Schrödinger equation in the framework of the 1/N expansion. Based on recursion relations satisfied by moments of the coordinate operator, this method which allows to compute energy levels and wavefunctions is applied to four examples: the harmonic oscillator, the rotating harmonic oscillator, a linear plus Coulomb potential and a logarithmic one.     

A mean-field behavior of the specific heat at the phase transition of SnTe with a low carrier concentration

It was found that the specific heat showed a step-like behavior at T_c. From this the coefficients of Landau free energy expansion were determined by using the spontaneous displacement in neutron scattering. The second order coefficient was found to be consistent with the amplitude of the soft mode frequency in Raman spectroscopy.     

O(N) Random Tensor Models

We define in this paper a class of three-index tensor models, endowed with \({O(N)^{\otimes 3}}\) invariance (N being the size of the tensor). This allows to generate, via the usual QFT perturbative expansion, a class of Feynman tensor graphs which is strictly larger than the class of Feynman graphs of both the multi-orientable model (and hence of the colored model) and the U(N) invariant models. We first exhibit the existence of a large N expansion for such a model with general interactions. We then focus on the quartic model and we identify the leading and next-to-leading order (NLO) graphs of the large N expansion. Finally, we prove the existence of a critical regime and we compute the critical exponents, both at leading order and at NLO. This is achieved through the use of various analytic combinatorics techniques.     

Evolutions of Longitudinal Structure Function F L upto Next-to-Next-to-Leading Orders at Small-x

We compute the longitudinal structure function F _L of proton from its QCD (Quantum Chromodynamics) evolution equation in next-to-next-to-leading order (NNLO) approximation at small-x. Here we use Taylor series expansion method to solve the evolution equation for small-x and the obtained simple analytical expressions for F _L provide t- and x-evolution equations for the computation of the longitudinal structure function. Finally, we compare our results with the recent H1, ZEUS experimental data and results of MSTW, CT10 parameterizations and Block, Donnachie-Landshoff (DL) models. Our results are in good agreement with the data and the related fittings and parameterizations, which can also be described within the framework of perturbative QCD.     

A phase cell cluster expansion for Euclidean field theories

We adapt the cluster expansion first used to treat infrared problems for lattice models (a mass zero cluster expansion) to the usual field theory situation. The field is expanded in terms of special block spin functions and the cluster expansion given in terms of the expansion coefficients (phase cell variables); the cluster expansion expresses correlation functions in terms of contributions from finite coupled subsets of these variables. Most of the present work is carried through in d space time dimensions (for φ₂⁴ the details of the cluster expansion are pursued and convergence is proven). Thus most of the results in the present work will apply to a treatment of φ₃⁴ to which we hope to return in a succeeding paper. Of particular interest in this paper is a substitute for the stability of the vacuum bound appropriate to this cluster expansion (for d = 2 and d = 3), and a new method for performing estimates with tree graphs. The phase cell cluster expansions have the renormalization group incorporated intimately into their structure. We hope they will be useful ultimately in treating four dimensional field theories.     

A disorder parameter that test for confinement in gauge theories with quark fields

We propose to use a suitably defined vortex free energy as a disorder parameter in gauge field theories with matter fields. It is supposed to distinguish between the confinement phase, massless phase(s) and Higgs phase where they exist. The matter fields may transform according to an arbitrary representation of the gauge group. We compute the vortex free energy by series expansion for a Z₂ Higgs model and for SU(2) lattice models with quark or Higgs fields in the fundamental representation at strong coupling (confinement phase), and for the Z₂ Higgs model in the range of validity of low-temperature expansions (Higgs phase). The results are in agreement with the expected behavior.     

Liquid drop parameters for hot nuclei

Using the semi-classical extended Thomas-Fermi (ETF) density variational method, we derived self-consistently the liquid drop model (LDM) coefficients for the free energy of hot nuclear systems from a realistic effective interaction (Skyrme SkM¹). We expand the temperature (T) dependence of these coefficients up to the second order in T and test their application to the calculation of the fission barriers of the nuclei ²⁰⁸Pb and ²⁴⁰Pu.     

Genus one contribution to free energy in Hermitian two-matrix model

We compute the genus one correction to free energy of Hermitian two-matrix model in large N limit in terms of theta-functions associated to the spectral curve. We discuss the relationship of this expression to the isomonodromic tau-function, the Bergmann tau-function on Hurwitz spaces, the G-function of Frobenius manifolds and the determinant of Laplacian in a singular metric over the spectral curve.