New results for virial coefficients of hard spheres in D dimensions

We present new results for the virial coefficients B_k with k <= 10 for hard spheres in dimensions D=2,...,8.Comment: 10 pages, 5 figures, to appear in conference proceedings of STATPHYS 2004 in Pramana - Journal of Physic

Molecular and immunological characterization of profilin from mugwort pollen

In late summer in Europe, pollen of mugwort is one of the major sources of atopic allergens. No information about the complete molecular structure of any mugwort allergen has been published so far. Here we report the isolation and characterization of mugwort pollen cDNA clones coding for two isoforms of the panallergen profilin. Thirtysix percent of the mugwort allergic patients tested displayed IgE antibodies against natural and recombinant profilin, and no significant differences were observed in the IgEbinding properties of the isoforms. One profilin isoform was purified to homogeneity and detailed structural analysis indicated that the protein exists in solution as dimers and tetramers stabilized by sulfydryl and/or ionic interactions. Profilin monomers were detectable only after exposure of multimers to harsh denaturing conditions. Dimers and tetramers did not significantly differ in their ability to bind serum IgE from mugwort pollenallergic patients. However, oligomeric forms might have a higher allergenic potential than monomers because larger molecules would have additional epitopes for IgEmediated histamine release. Profilin isolated from mugwort pollen also formed multimers. Thus, oligomerization is not an artifact resulting from the recombinant production of the allergen. Inhibition experiments showed extensive IgE crossreactivity of recombinant mugwort profilin and profilin from various pollen and food extracts

Properties of planetary fluids at high pressure and temperature

In order to derive models of the interiors of Uranus, Neptune, Jupiter and Saturn, researchers studied equations of state and electrical conductivities of molecules at high dynamic pressures and temperatures. Results are given for shock temperature measurements of N2 and CH4. Temperature data allowed demonstration of shock induced cooling in the the transition region and the existence of crossing isotherms in P-V space

Classical and quantum chaos in a circular billiard with a straight cut

We study classical and quantum dynamics of a particle in a circular billiard with a straight cut. This system can be integrable, nonintegrable with soft chaos, or nonintegrable with hard chaos, as we vary the size of the cut. We use a quantum web to show differences in the quantum manifestations of classical chaos for these three different regimes.Comment: LaTeX2e, 8 pages including 3 Postscript figures and 4 GIF figures, submitted to Phys. Rev.

Integrability and action operators in quantum Hamiltonian systems

For a (classically) integrable quantum mechanical system with two degrees of freedom, the functional dependence $\hat{H}=H_Q(\hat{J}_1,\hat{J}_2)$ of the Hamiltonian operator on the action operators is analyzed and compared with the corresponding functional relationship $H(p_1,q_1;p_2,q_2) = H_C(J_1,J_2)$ in the classical limit of that system. The former is shown to converge toward the latter in some asymptotic regime associated with the classical limit, but the convergence is, in general, non-uniform. The existence of the function $\hat{H}=H_Q(\hat{J}_1,\hat{J}_2)$ in the integrable regime of a parametric quantum system explains empirical results for the dimensionality of manifolds in parameter space on which at least two levels are degenerate. The comparative analysis is carried out for an integrable one-parameter two-spin model. Additional results presented for the (integrable) circular billiard model illuminate the same conclusions from a different angle.Comment: 9 page

Ninth and Tenth Order Virial Coefficients for Hard Spheres in D Dimensions

We evaluate the virial coefficients B_k for k<=10 for hard spheres in dimensions D=2,...,8. Virial coefficients with k even are found to be negative when D>=5. This provides strong evidence that the leading singularity for the virial series lies away from the positive real axis when D>=5. Further analysis provides evidence that negative virial coefficients will be seen for some k>10 for D=4, and there is a distinct possibility that negative virial coefficients will also eventually occur for D=3.Comment: 33 pages, 12 figure

Whispering gallery modes in open quantum billiards

The poles of the S-matrix and the wave functions of open 2D quantum billiards with convex boundary of different shape are calculated by the method of complex scaling. Two leads are attached to the cavities. The conductance of the cavities is calculated at energies with one, two and three open channels in each lead. Bands of overlapping resonance states appear which are localized along the convex boundary of the cavities and contribute coherently to the conductance. These bands correspond to the whispering gallery modes appearing in the classical calculations.Comment: 9 pages, 3 figures in jpg and gif forma

High Pressure Thermoelasticity of Body-centered Cubic Tantalum

We have investigated the thermoelasticity of body-centered cubic (bcc) tantalum from first principles by using the linearized augmented plane wave (LAPW) and mixed--basis pseudopotential methods for pressures up to 400 GPa and temperatures up to 10000 K. Electronic excitation contributions to the free energy were included from the band structures, and phonon contributions were included using the particle-in-a-cell (PIC) model. The computed elastic constants agree well with available ultrasonic and diamond anvil cell data at low pressures, and shock data at high pressures. The shear modulus $c_{44}$ and the anisotropy change behavior with increasing pressure around 150 GPa because of an electronic topological transition. We find that the main contribution of temperature to the elastic constants is from the thermal expansivity. The PIC model in conjunction with fast self-consistent techniques is shown to be a tractable approach to studying thermoelasticity.Comment: To be appear in Physical Review

Thermal Equation of State of Tantalum

We have investigated the thermal equation of state of tantalum from first principles using the Linearized Augmented Plane Wave (LAPW) and pseudopotential methods for pressures up to 300 GPa and temperatures up to 10000 K. The equation of state at zero temperature was computed using LAPW. For finite temperatures, mixed basis pseudopotential computations were performed for 54 atom supercells. The vibrational contributions were obtained by computing the partition function using the particle in a cell model, and the the finite temperature electronic free energy was obtained from the LAPW band structures. We discuss the behavior of thermal equation of state parameters such as the Gr\"uneisen parameter $\gamma$, $q$, the thermal expansivity $\alpha$, the Anderson-Gr\"uneisen parameter $\delta_T$ as functions of pressure and temperature. The calculated Hugoniot shows excellent agreement with shock-wave experiments. An electronic topological transition was found at approximately 200 GPa

Density functional theory for nearest-neighbor exclusion lattice gasses in two and three dimensions

To speak about fundamental measure theory obliges to mention dimensional crossover. This feature, inherent to the systems themselves, was incorporated in the theory almost from the beginning. Although at first it was thought to be a consistency check for the theory, it rapidly became its fundamental pillar, thus becoming the only density functional theory which possesses such a property. It is straightforward that dimensional crossover connects, for instance, the parallel hard cube system (three-dimensional) with that of squares (two-dimensional) and rods (one-dimensional). We show here that there are many more connections which can be established in this way. Through them we deduce from the functional for parallel hard (hyper)cubes in the simple (hyper)cubic lattice the corresponding functionals for the nearest-neighbor exclusion lattice gases in the square, triangular, simple cubic, face-centered cubic, and body-centered cubic lattices. As an application, the bulk phase diagram for all these systems is obtained.Comment: 13 pages, 13 figures; needs revtex