On the equation of state of a dense columnar liquid crystal

An accurate description of a columnar liquid crystal of hard disks at high packing fractions is presented using an improved free-volume theory. It is shown that the orientational entropy of the disks in the one-dimensional fluid direction leads to a different high-density scaling pressure compared to the prediction from traditional cell theory. Excellent quantitative agreement is found with recent Monte-Carlo simulation results for various thermodynamic and structural properties of the columnar state.Comment: 4 pages, 2 figures, to appear in Phys. Rev. Let

Nuclear structure of 30S and its implications for nucleosynthesis in classical novae

The uncertainty in the 29P(p,gamma)30S reaction rate over the temperature range of 0.1 - 1.3 GK was previously determined to span ~4 orders of magnitude due to the uncertain location of two previously unobserved 3+ and 2+ resonances in the 4.7 - 4.8 MeV excitation region in 30S. Therefore, the abundances of silicon isotopes synthesized in novae, which are relevant for the identification of presolar grains of putative nova origin, were uncertain by a factor of 3. To investigate the level structure of 30S above the proton threshold (4394.9(7) keV), a charged-particle spectroscopy and an in-beam gamma-ray spectroscopy experiments were performed. Differential cross sections of the 32S(p,t)30S reaction were measured at 34.5 MeV. Distorted wave Born approximation calculations were performed to constrain the spin-parity assignments of the observed levels. An energy level scheme was deduced from gamma-gamma coincidence measurements using the 28Si(3He,n-gamma)30S reaction. Spin-parity assignments based on measurements of gamma-ray angular distributions and gamma-gamma directional correlation from oriented nuclei were made for most of the observed levels of 30S. As a result, the resonance energies corresponding to the excited states in 4.5 MeV - 6 MeV region, including the two astrophysically important states predicted previously, are measured with significantly better precision than before. The uncertainty in the rate of the 29P(p,gamma)30S reaction is substantially reduced over the temperature range of interest. Finally, the influence of this rate on the abundance ratios of silicon isotopes synthesized in novae are obtained via 1D hydrodynamic nova simulations.Comment: 22 pages, 12 figure

Theory and simulation of short-range models of globular protein solutions

We report theoretical and simulation studies of phase coexistence in model globular protein solutions, based on short-range, central, pair potential representations of the interaction among macro-particles. After reviewing our previous investigations of hard-core Yukawa and generalised Lennard-Jones potentials, we report more recent results obtained within a DLVO-like description of lysozyme solutions in water and added salt. We show that a one-parameter fit of this model based on Static Light Scattering and Self-Interaction Chromatography data in the dilute protein regime, yields demixing and crystallization curves in good agreement with experimental protein-rich/protein-poor and solubility envelopes. The dependence of cloud and solubility points temperature of the model on the ionic strength is also investigated. Our findings highlight the minimal assumptions on the properties of the microscopic interaction sufficient for a satisfactory reproduction of the phase diagram topology of globular protein solutions.Comment: 17 pages, 8 figures, Proc. of Conference "Structural Arrest Transitions in Colloidal Systems with Short-Range Attractions", Messina (ITALY) 17-20 December 200

A new parametric equation of state and quark stars

It is still a matter of debate to understand the equation of state of cold supra-nuclear matter in compact stars because of unknown on-perturbative strong interaction between quarks. Nevertheless, it is speculated from an astrophysical view point that quark clusters could form in cold quark matter due to strong coupling at realistic baryon densities. Although it is hard to calculate this conjectured matter from first principles, one can expect the inter-cluster interaction to share some general features to nucleon-nucleon interaction. We adopt a two-Gaussian component soft-core potential with these general features and show that quark clusters can form stable simple cubic crystal structure if we assume Gaussian form wave function. With this parameterizing, Tolman-Oppenheimer-Volkoff equation is solved with reasonable constrained parameter space to give mass-radius relation of crystalline solid quark star. With baryon densities truncated at 2 times nuclear density at surface and range of interaction fixed at 2fm we can reproduce similar mass-radius relation to that obtained with bag model equations of state. The maximum mass ranges from about 0.5 to 3 solar mass. Observed maximum pulsar mass (about 2 solar mass) is then used to constrain parameters of this simple interaction potential.Comment: 5 pages, 2 figure

Structural and Electronic Instabilities in Polyacenes: Density Matrix Renormalization Group Study of a Long--Range Interacting Model

We have carried out Density Matrix Renormalization Group (DMRG) calculations on the ground state of long polyacene oligomers within a Pariser-Parr-Pople (PPP) Hamiltonian. The PPP model includes long-range electron correlations which are required for physically realistic modeling of conjugated polymers. We have obtained the ground state energy as a function of the dimerization $\delta$ and various correlation functions and structure factors for $\delta=0$. From energetics, we find that while the nature of the Peierls' instabilityin polyacene is conditional and strong electron correlations enhance the dimerization. The {\it cis} form of the distortion is favoured over the {\it trans} form. However, from the analysis of correlation functions and associated structure factors, we find that polyacene is not susceptible to the formation of a bond order wave (BOW), spin density wave (SDW) or a charge density wave (CDW) in the ground state.Comment: 31 pages, latex, 13 figure

The low-lying excitations of polydiacetylene

The Pariser-Parr-Pople Hamiltonian is used to calculate and identify the nature of the low-lying vertical transition energies of polydiacetylene. The model is solved using the density matrix renormalisation group method for a fixed acetylenic geometry for chains of up to 102 atoms. The non-linear optical properties of polydiacetylene are considered, which are determined by the third-order susceptibility. The experimental 1Bu data of Giesa and Schultz are used as the geometric model for the calculation. For short chains, the calculated E(1Bu) agrees with the experimental value, within solvation effects (ca. 0.3 eV). The charge gap is used to characterise bound and unbound states. The nBu is above the charge gap and hence a continuum state; the 1Bu, 2Ag and mAg are not and hence are bound excitons. For large chain lengths, the nBu tends towards the charge gap as expected, strongly suggesting that the nBu is the conduction band edge. The conduction band edge for PDA is agreed in the literature to be ca. 3.0 eV. Accounting for the strong polarisation effects of the medium and polaron formation gives our calculated E(nBu) ca. 3.6 eV, with an exciton binding energy of ca. 1.0 eV. The 2Ag state is found to be above the 1Bu, which does not agree with relaxed transition experimental data. However, this could be resolved by including explicit lattice relaxation in the Pariser- Parr-Pople-Peierls model. Particle-hole separation data further suggest that the 1Bu, 2Ag and mAg are bound excitons, and that the nBu is an unbound exciton.Comment: LaTeX, 23 pages, 4 postscript tables and 8 postscript figure

Thermal stability and diffusion in gadolinium silicate gate dielectric films

Gadolinium silicate films on Si(100) annealed in oxygen and vacuum at temperatures up to 800\u200a\ub0C were analyzed by Rutherford backscattering and narrow resonance nuclear profiling. Oxygen diffused into the film eliminating oxygen vacancies, but Si diffusion, previously observed in Al and Y oxides and in La and Zr silicate films, was absent. Higher-temperature annealing in oxygen resulted in the formation of an interfacial layer observable in high-resolution electron micrographs. Gd0.23Si0.14O0.63 films crystallize at temperatures between 1000 and 1050\u200a\ub0C. These observations combined with recent electrical measurements show that gadolinium silicate films may be a good candidate for the replacement of SiO2 in deep submicron metal\u2013oxide\u2013semiconductor gates.NRC publication: Ye