Dimensional crossover of the fundamental-measure functional for parallel hard cubes

We present a regularization of the recently proposed fundamental-measure functional for a mixture of parallel hard cubes. The regularized functional is shown to have right dimensional crossovers to any smaller dimension, thus allowing to use it to study highly inhomogeneous phases (such as the solid phase). Furthermore, it is shown how the functional of the slightly more general model of parallel hard parallelepipeds can be obtained using the zero-dimensional functional as a generating functional. The multicomponent version of the latter system is also given, and it is suggested how to reformulate it as a restricted-orientation model for liquid crystals. Finally, the method is further extended to build a functional for a mixture of parallel hard cylinders.Comment: 4 pages, no figures, uses revtex style files and multicol.sty, for a PostScript version see http://dulcinea.uc3m.es/users/cuesta/cross.p

A numerical study of separation on a spheroid at incidence

The three-dimensional incompressible, steady and laminar flow field around a prolate spheroid at incidence is considered. The parabolized Navier-Stokes equations are solved numerically. The method can handle vortex types as well as bubble type flow separation because the pressure is one of the dependent variables. Here, the distribution of the skin friction is reported for two test cases. The first test case is a prolate spheroid of aspect ratio of 4:1 at 6 degrees incidence and Reynolds number of 1 million (based on half the major axis). The second case is a spheroid with a 6:1 aspect ratio at 10 degrees incidence and Reynolds number of 0.8 x 1 million. The properties of the flow field near the body are discussed on the basis of the pattern of the skin friction lines, and the shape of the separation lines. Favorable agreement with experimental results is obtained

Connectivity and genus in three dimensions

Algorithms for labeling, counting, and computing connected objects in binary three dimensional arra

The Red Bandanna!

https://digitalcommons.library.umaine.edu/mmb-vp/6743/thumbnail.jp

Rubidium superoxide: a p-electron Mott insulator

Rubidium superoxide, RbO_2, is a rare example of a solid with partially-filled electronic p states, which allows to study the interplay of spin and orbital order and other effects of strong electronic correlations in a material that is quite different from the conventional d or f electron systems. Here we show, using a combination of density functional theory (DFT) and dynamical mean-field theory, that at room temperature RbO_2 is indeed a paramagnetic Mott insulator. We construct the metal-insulator phase diagram as a function of temperature and Hubbard interaction parameters U and J. Due to the strong particle-hole asymmetry of the RbO_2 band-structure, we find strong differences compared to a simple semi-elliptical density of states, which is often used to study the multiband Hubbard model. In agreement with our previous DFT study, we also find indications for complex spin and orbital order at low temperatures.Comment: 6 pages, 8 figure

Pattern recognition. v- samp - a computer program for estimating surface area from contour maps

Fortran computer program for computing linear approximation of surface area for any given portion of digitized contour ma

Lattice density-functional theory of surface melting: the effect of a square-gradient correction

I use the method of classical density-functional theory in the weighted-density approximation of Tarazona to investigate the phase diagram and the interface structure of a two-dimensional lattice-gas model with three phases -- vapour, liquid, and triangular solid. While a straightforward mean-field treatment of the interparticle attraction is unable to give a stable liquid phase, the correct phase diagram is obtained when including a suitably chosen square-gradient term in the system grand potential. Taken this theory for granted, I further examine the structure of the solid-vapour interface as the triple point is approached from low temperature. Surprisingly, a novel phase (rather than the liquid) is found to grow at the interface, exhibiting an unusually long modulation along the interface normal. The conventional surface-melting behaviour is recovered only by artificially restricting the symmetries being available to the density field.Comment: 16 pages, 6 figure