Constrained Orthogonal Polynomials

We define sets of orthogonal polynomials satisfying the additional constraint of a vanishing average. These are of interest, for example, for the study of the Hohenberg-Kohn functional for electronic or nucleonic densities and for the study of density fluctuations in centrifuges. We give explicit properties of such polynomial sets, generalizing Laguerre and Legendre polynomials. The nature of the dimension 1 subspace completing such sets is described. A numerical example illustrates the use of such polynomials.Comment: 11 pages, 10 figure

On the energy momentum dispersion in the lattice regularization

For a free scalar boson field and for U(1) gauge theory finite volume (infrared) and other corrections to the energy-momentum dispersion in the lattice regularization are investigated calculating energy eigenstates from the fall off behavior of two-point correlation functions. For small lattices the squared dispersion energy defined by $E_{\rm dis}^2=E_{\vec{k}}^2-E_0^2-4\sum_{i=1}^{d-1}\sin(k_i/2)^2$ is in both cases negative ($d$ is the Euclidean space-time dimension and $E_{\vec{k}}$ the energy of momentum $\vec{k}$ eigenstates). Observation of $E_{\rm dis}^2=0$ has been an accepted method to demonstrate the existence of a massless photon ($E_0=0$) in 4D lattice gauge theory, which we supplement here by a study of its finite size corrections. A surprise from the lattice regularization of the free field is that infrared corrections do {\it not} eliminate a difference between the groundstate energy $E_0$ and the mass parameter $M$ of the free scalar lattice action. Instead, the relation $E_0=\cosh^{-1} (1+M^2/2)$ is derived independently of the spatial lattice size.Comment: 9 pages, 2 figures. Parts of the paper have been rewritten and expanded to clarify the result

Monte Carlo simulation and global optimization without parameters

We propose a new ensemble for Monte Carlo simulations, in which each state is assigned a statistical weight $1/k$, where $k$ is the number of states with smaller or equal energy. This ensemble has robust ergodicity properties and gives significant weight to the ground state, making it effective for hard optimization problems. It can be used to find free energies at all temperatures and picks up aspects of critical behaviour (if present) without any parameter tuning. We test it on the travelling salesperson problem, the Edwards-Anderson spin glass and the triangular antiferromagnet.Comment: 10 pages with 3 Postscript figures, to appear in Phys. Rev. Lett

Thermodynamics of two lattice ice models in three dimensions

In a recent paper we introduced two Potts-like models in three dimensions, which share the following properties: (A) One of the ice rules is always fulfilled (in particular also at infinite temperature). (B) Both ice rules hold for groundstate configurations. This allowed for an efficient calculation of the residual entropy of ice I (ordinary ice) by means of multicanonical simulations. Here we present the thermodynamics of these models. Despite their similarities with Potts models, no sign of a disorder-order phase transition is found.Comment: 5 pages, 7 figure

Drops with non-circular footprints

In this paper we study the morphology of drops formed on partially wetting substrates, whose footprint is not circular. This type of drops is a consequence of the breakup processes occurring in thin films when anisotropic contact line motions take place. The anisotropy is basically due to hysteresis effects of the contact angle since some parts of the contact line are wetting, while others are dewetting. Here, we obtain a peculiar drop shape from the rupture of a long liquid filament sitting on a solid substrate, and analyze its shape and contact angles by means of goniometric and refractive techniques. We also find a non--trivial steady state solution for the drop shape within the long wave approximation (lubrication theory), and compare most of its features with experimental data. This solution is presented both in Cartesian and polar coordinates, whose constants must be determined by a certain group of measured parameters. Besides, we obtain the dynamics of the drop generation from numerical simulations of the full Navier--Stokes equation, where we emulate the hysteretic effects with an appropriate spatial distribution of the static contact angle over the substrate

Dispersion and polarization conversion of whispering gallery modes in arbitrary cross-section nanowires

We investigate theoretically the optical properties of Nano-Wires (NWs) with cross sections having either discrete or cylindrical symmetry. The material forming the wire is birefringent, showing a different dielectric response in the plane and along the axis of the wire, which is typically the case for wires made of wurtzite materials, such as ZnO or GaN. We look for solutions of Maxwell`s equations having the proper symmetry. The dispersions and the linewidths versus angle of incident light for the modes having high momentum in the cross-section plane, so called whispering gallery modes, are calculated. We put a special emphasis on the case of hexagonal cross sections. The energy positions of the modes for a set of azimuthal quantum numbers are shown. We demonstrate the dependence of the energy splitting between TE and TM modes versus birefringence. The polarization conversion from TE to TM with increase of the axial wave vectoris discussed for both cylindrical and discrete symmetry.Comment: 9 pages, 10 figure

Grundstate Properties of the 3D Ising Spin Glass

We study zero--temperature properties of the 3d Edwards--Anderson Ising spin glass on finite lattices up to size $12^3$. Using multicanonical sampling we generate large numbers of groundstate configurations in thermal equilibrium. Finite size scaling with a zero--temperature scaling exponent $y = 0.74 \pm 0.12$ describes the data well. Alternatively, a descriptions in terms of Parisi mean field behaviour is still possible. The two scenarios give significantly different predictions on lattices of size $\ge 12^3$.Comment: LATEX 9pages,figures upon request ,SCRI-9

Multicanonical Recursions

The problem of calculating multicanonical parameters recursively is discussed. I describe in detail a computational implementation which has worked reasonably well in practice.Comment: 23 pages, latex, 4 postscript figures included (uuencoded Z-compressed .tar file created by uufiles), figure file corrected