Effect of superfluidity on the structure of the inner crust of neutron stars

A self-consistent, completely quantum calculation of the structure of the inner crust of neutron stars is carried out in the Wigner-Seitz approximation with a realistic phenomenological nuclear energy functional, where pair correlations of neutrons and protons are included in the explicit form. It has been shown that the superfluidity of neutrons and protons affects the structure of the ground state of the crust.     

The matching of electrostatic extrema: A useful method in drug design? A study of phosphodiesterase III inhibitors

Summary Ligands which bind to a specific protein binding site are often expected to have a similar electrostatic environment which complements that of the binding site. One method of assessing molecular electrostatic similarity is to examine the possible overlay of the maxima and minima in the electrostatic potential outside the molecules and thereby match the regions where strong electrostatic interactions, including hydrogen bonds, with the residues of the binding site may be possible. This approach is validated with accurate calculations of the electrostatic potential, derived from a distributed multipole analysis of an ab initio charge density of the molecule, so that the effects of lone pair and -electron density are correctly included. We have applied this method to the phosphodiesterase (PDE) III substrate adenosine-3,5-cyclic monophosphate (cAMP) and a range of nonspecific and specific PDE III inhibitors. Despite the structural variation between cAMP and the inhibitors, it is possible to match three or four extrema to produce relative orientations in which the inhibitors are sufficiently sterically and electrostatically similar to the natural substrate to account for their affinity for PDE III. This matching of extrema is more apparent using the accurate electrostatic models than it was when this approach was first applied, using semiempirical point charge models. These results reinforce the hypothesis of electrostatic similarity and give weight to the technique of extrema matching as a useful tool in drug design.     

Homotopy types for tamely approximable Sobolev maps between manifolds

We define a class ^p (M,N) of Sobolev maps from a manifoldM into a manifoldN, in such a way that each mapu ^p (M, N) has a well defined [p]-homotopy type, providedN satisfies a topological hypothesis. Using this, we prove the existence of minimizers in [p]-homotopy classes for some polyconvex variational problems.     

Determination of heavy metals in real samples by anodic stripping voltammetry with mercury microelectrodes : Part 1. Application to Wine

Differential-pulse anodic stripping voltammetry with a mercury microelectrode is used for the determination of zinc, cadmium, lead and copper in wine at its natural pH without pretreatment. The effects of the matrix on the stripping peaks are studied in detail by varying the concentration of the metals. Intermetallic (CuZn) interferences and the effects of oxygen are described. The results obtained for the labile metal contents varied from 2 μg l^?1 for cadmium to 148 μg l^?1 for zinc; standard addition plots were linear over about two orders of magnitude above these levels, demonstrating the negligible effect of organic matter. Acidification of the sample with hydrochloric acid to pH 1 allowed the total metal contents to be determined. The reliability of the method was tested by comparison with the results obtained with atomic absorption spectrometry; the differences were within 10–20%.     

Single Particle States as Probes of Nuclear Structure

Physics of Atomic Nuclei - In this brief review paper I outline the relevance of the single-particle states for the research in nuclear structure. They can be detected and studied by several...     

Local-potential approximation for the Brueckner G matrix and problem of optimally choosing model subspace

The validity of the local-potential approximation, which was proposed previously for the singlet-pairing problem in semi-infinite nuclear matter, is investigated in the Bethe-Goldstone equation for the Brueckner G matrix. For this purpose, use is made of the method developed earlier for solving this equation for a planar slab of nuclear matter in the case of a separable form of NN interaction. The ¹ S ₀ singlet and the ³ S ₁+³ D ₁ triplet channel are considered. The complete two-particle Hilbert space is split into a model and the complementary subspace that are separated by an energy E ₀. The two-particle propagator is calculated precisely in the first subspace, and the local-potential approximation is used in the second subspace. With an eye to subsequently employing the G matrix to calculate the Landau-Migdal amplitude, the total two-particle energy is fixed at E=2μ, where μ is the chemical potential of the system under consideration. Specific numerical calculations are performed at μ=?8 MeV. The applicability of the local-potential approximation is investigated versus the cutoff energy E ₀. It is shown that, in either channel being considered, the accuracy of the local-potential approximation is rather high for E ₀≥10 MeV.     

Codimension one minimal cycles with coefficients inZ orZ p , and variational functionals on fibered spaces

Given a compact, oriented Riemannian manifold M, without boundary, and a codimension-one homology class in H_* (M, Z) (or, respectively, in H_* (M, Z_p) with p an odd prime), we consider the problem of finding a cycle of least area in the given class: this is known as the homological Plateau’s problem. We propose an elliptic regularization of this problem, by constructing suitable fiber bundles ξ (resp. ζ) on M, and one-parameter families of functionals defined on the regular sections of ξ, (resp. ζ), depending on a small parameter ε. As ε → 0, the minimizers of these functionals are shown to converge to some limiting section, whose discontinuity set is exactly the minimal cycle desired.     

Study of defect evolution by TEM with in situ ion irradiation and coordinated modeling

The paper describes a novel transmission electron microscopy (TEM) experiment with in situ ion irradiation designed to improve and validate a computer model. TEM thin foils of molybdenum were irradiated in situ by 1?MeV Kr ions up to ～0.045 displacements per atom (dpa) at 80°C at three dose rates ?5?×?10^?6, 5?×?10^?5, and 5?×?10^?4?dpa/s – at the Argonne IVEM-Tandem Facility. The low-dose experiments produced visible defect structure in dislocation loops, allowing accurate, quantitative measurements of defect number density and size distribution. Weak beam dark-field plane-view images were used to obtain defect density and size distribution as functions of foil thickness, dose, and dose rate. Diffraction contrast electron tomography was performed to image defect clusters through the foil thickness and measure their depth distribution. A spatially dependent cluster dynamic model was developed explicitly to model the damage by 1?MeV Kr ion irradiation in an Mo thin foil with temporal and spatial dependence of defect distribution. The set of quantitative data of visible defects was used to improve and validate the computer model. It was shown that the thin foil thickness is an important variable in determining the defect distribution. This additional spatial dimension allowed direct comparison between the model and experiments of defect structures. The defect loss to the surfaces in an irradiated thin foil was modeled successfully. TEM with in situ ion irradiation of Mo thin foils was also explicitly designed to compare with neutron irradiation data of the identical material that will be used to validate the model developed for thin foils.     

Self-consistent description of the inner crust of a neutron star with allowance for superfluidity effects

Within the Wigner-Seitz approximation, a self-consistent fully quantum-mechanical calculation of the structure of the inner crust of a neutron star is performed over a wide range of densities with allowance for superfluidity effects. Within the approach used, the Wigner-Seitz cell consists of a nuclear-like cluster surrounded by a nearly uniform neutron gas. An effective energy functional is constructed by matching, at the cluster surface, the realistic phenomenological nuclear functional for the cluster due to S. A. Fayans and his coauthors and the energy functional calculated microscopically for neutron matter. The microscopic component of the functional is calculated within the Brueckner method by using the v18 Argonne interaction.