Analysis of current profiles by a study of pycnomeric distortion and identifying properties

It has, of course, always been recognized that one of the greatest uncertainties of dynamic oceanographic calculations is that which results from the necessity of selecting without definite evidence a surface of assumed zero motion to which the calculated relative velocities can be referred for evaluation in absolute terms...

Preface

The Journal of Marine Research is intended particularly as an outlet for shorter articles on any aspect of scientific marine investigations or ·any subject with a direct or indirect bearing upon the problems of the sea. Due to the intimate connection and mutual relationship between hydrospheric and atmospheric events in nature, and to the virtual identity of dynamic methods and principles in Meteorology and Oceanography, contributions to physical meteorological theory in general and to our knowledge about the relationship between ocean and air, in particular will be considered equally pertinent to marine as to meteorological research, and therefore within the scope of this Journal...

Assembly and analysis of fragmentation data for liquid propellant vessels

Fragmentation data was assembled and analyzed for exploding liquid propellant vessels. These data were to be retrieved from reports of tests and accidents, including measurements or estimates of blast yield, etc. A significant amount of data was retrieved from a series of tests conducted for measurement of blast and fireball effects of liquid propellant explosions (Project PYRO), a few well-documented accident reports, and a series of tests to determine auto-ignition properties of mixing liquid propellants. The data were reduced and fitted to various statistical functions. Comparisons were made with methods of prediction for blast yield, initial fragment velocities, and fragment range. Reasonably good correlation was achieved. Methods presented in the report allow prediction of fragment patterns, given type and quantity of propellant, type of accident, and time of propellant mixing

Extended Thomas-Fermi Density Functional for the Unitary Fermi Gas

We determine the energy density $\xi (3/5) n \epsilon_F$ and the gradient correction $\lambda \hbar^2(\nabla n)^2/(8m n)$ of the extended Thomas-Fermi (ETF) density functional, where $n$ is number density and $\epsilon_F$ is Fermi energy, for a trapped two-components Fermi gas with infinite scattering length (unitary Fermi gas) on the basis of recent diffusion Monte Carlo (DMC) calculations [Phys. Rev. Lett. {\bf 99}, 233201 (2007)]. In particular we find that $\xi=0.455$ and $\lambda=0.13$ give the best fit of the DMC data with an even number $N$ of particles. We also study the odd-even splitting $\gamma N^{1/9} \hbar \omega$ of the ground-state energy for the unitary gas in a harmonic trap of frequency $\omega$ determining the constant $\gamma$. Finally we investigate the effect of the gradient term in the time-dependent ETF model by introducing generalized Galilei-invariant hydrodynamics equations.Comment: 7 pages, 3 figures, 1 table; corrected some typos; published in Phys. Rev. A; added erratum: see also the unpublished diploma thesis of Marco Manzoni (supervisors: N. Manini and L. Salasnich) at http://www.mi.infm.it/manini/theses/manzoni.pd

Inter-cluster reactivity of Metallo-aromatic and anti-aromatic Compounds and Their Applications in Molecular Electronics: A Theoretical Investigation

Local reactivity descriptors such as the condensed local softness and Fukui function have been employed to investigate the inter-cluster reactivity of the metallo-aromatic (Al4Li- and Al4Na-) and anti-aromatic (Al4Li4 and Al4Na4) compounds. We use the concept of group softness and group Fukui function to study the strength of the nucleophilicity of the Al4 unit in these compounds. Our analysis shows that the trend of nucleophilicity of the Al4 unit in the above clusters is as follows; Al4Li- > Al4Na- > Al4Li4 > Al4Na 4 For the first time we have used the reactivity descriptors to show that these clusters can act as electron donating systems and thus can be used as a molecular cathode.Comment: 23 pages, 1 figure and 1 table of conten

Thermal conductivity and conditioning of grey expanded polystyrene foams

This article focuses on the thermal conductivity of 50 mm thick silver grey (infrared absorbing) expanded polystyrene (EPS) foam boards blown with pentane. The effect of short-term ageing from the point of production, by ambient conditioning at 23°C/50% RH, is compared to conditioning at an elevated temperature of 70°C. The declared thermal properties of the product and CE certification are fulfilled by the requirements of the European EPS product standard and SG19 Guidance. Measured thermal conductivity levels within 1% of the final value are acceptable and considered representative throughout the economic life of the product. Levels within the criteria were determined for 50 mm silver EPS after conditioning for 5 days at an elevated temperature of 70°C, whereas for conditioning at 23°C/50% RH the time taken was 23 days. The latter time is in good accord with retesting retained grey EPS boards of similar density and up to 9 years old, after initial testing 22 days from production, and conditioning at 23°C/50% RH. Elevated temperature conditioning increases the rate of diffusion of the blowing agent, but there has been concern about EPS beads softening above 60°C. Although there is little evidence from scanning electron microscopy of significant increase in perforation of the cell membranes at elevated temperatures, there is some indication of a small increase in wrinkling of the walls and intercell skeletal strands at 60°C and 70°C. It takes longer to eliminate the pentane gas by conditioning at 23°C/50% RH but there is no risk of material change from heat conditioning

Spin gaps and spin-flip energies in density-functional theory

Energy gaps are crucial aspects of the electronic structure of finite and extended systems. Whereas much is known about how to define and calculate charge gaps in density-functional theory (DFT), and about the relation between these gaps and derivative discontinuities of the exchange-correlation functional, much less is know about spin gaps. In this paper we give density-functional definitions of spin-conserving gaps, spin-flip gaps and the spin stiffness in terms of many-body energies and in terms of single-particle (Kohn-Sham) energies. Our definitions are as analogous as possible to those commonly made in the charge case, but important differences between spin and charge gaps emerge already on the single-particle level because unlike the fundamental charge gap spin gaps involve excited-state energies. Kohn-Sham and many-body spin gaps are predicted to differ, and the difference is related to derivative discontinuities that are similar to, but distinct from, those usually considered in the case of charge gaps. Both ensemble DFT and time-dependent DFT (TDDFT) can be used to calculate these spin discontinuities from a suitable functional. We illustrate our findings by evaluating our definitions for the Lithium atom, for which we calculate spin gaps and spin discontinuities by making use of near-exact Kohn-Sham eigenvalues and, independently, from the single-pole approximation to TDDFT. The many-body corrections to the Kohn-Sham spin gaps are found to be negative, i.e., single particle calculations tend to overestimate spin gaps while they underestimate charge gaps.Comment: 11 pages, 1 figure, 3 table

Degenerate ground states and nonunique potentials: breakdown and restoration of density functionals

The Hohenberg-Kohn (HK) theorem is one of the most fundamental theorems of quantum mechanics, and constitutes the basis for the very successful density-functional approach to inhomogeneous interacting many-particle systems. Here we show that in formulations of density-functional theory (DFT) that employ more than one density variable, applied to systems with a degenerate ground state, there is a subtle loophole in the HK theorem, as all mappings between densities, wave functions and potentials can break down. Two weaker theorems which we prove here, the joint-degeneracy theorem and the internal-energy theorem, restore the internal, total and exchange-correlation energy functionals to the extent needed in applications of DFT to atomic, molecular and solid-state physics and quantum chemistry. The joint-degeneracy theorem constrains the nature of possible degeneracies in general many-body systems

Quantum number projection at finite temperature via thermofield dynamics

Applying the thermo field dynamics, we reformulate exact quantum number projection in the finite-temperature Hartree-Fock-Bogoliubov theory. Explicit formulae are derived for the simultaneous projection of particle number and angular momentum, in parallel to the zero-temperature case. We also propose a practical method for the variation-after-projection calculation, by approximating entropy without conflict with the Peierls inequality. The quantum number projection in the finite-temperature mean-field theory will be useful to study effects of quantum fluctuations associated with the conservation laws on thermal properties of nuclei.Comment: 27 pages, using revtex4, to be published in PR

Calculation of the energy spectrum of a two-electron spherical quantum dot

We study the energy spectrum of the two-electron spherical parabolic quantum dot using the exact Schroedinger, the Hartree-Fock, and the Kohn-Sham equations. The results obtained by applying the shifted-1/N method are compared with those obtained by using an accurate numerical technique, showing that the relative error is reasonably small, although the first method consistently underestimates the correct values. The approximate ground-state Hartree-Fock and local-density Kohn-Sham energies, estimated using the shifted-1/N method, are compared with accurate numerical self-consistent solutions. We make some perturbative analyses of the exact energy in terms of the confinement strength, and we propose some interpolation formulae. Similar analysis is made for both mean-field approximations and interpolation formulae are also proposed for these exchange-only ground-state cases.Comment: 18 pages, LaTeX, 2 figures-ep