26,212 research outputs found
Strong electron correlations in cobalt valence tautomers
We have examined cobalt based valence tautomer molecules such as
Co(SQ)(phen) using density functional theory (DFT) and variational
configuration interaction (VCI) approaches based upon a model Hamiltonian. Our
DFT results extend earlier work by finding a reduced total energy gap (order
0.6 eV) between high temperature and low temperature states when we fully relax
the coordinates (relative to experimental ones). Futhermore we demonstrate that
the charge transfer picture based upon formal valence arguments succeeds
qualitatively while failing quantitatively due to strong covalency between the
Co 3 orbitals and ligand orbitals. With the VCI approach, we argue that
the high temperature, high spin phase is strongly mixed valent, with about 30 %
admixture of Co(III) into the predominantly Co(II) ground state. We confirm
this mixed valence through a fit to the XANES spectra. Moreover, the strong
electron correlations of the mixed valent phase provide an energy lowering of
about 0.2-0.3 eV of the high temperature phase relative to the low temperature
one. Finally, we use the domain model to account for the extraordinarily large
entropy and enthalpy values associated with the transition.Comment: 10 pages, 4 figures, submitted to J. Chem. Phy
Miniature spectrally selective dosimeter
A miniature spectrally selective dosimeter capable of measuring selected bandwidths of radiation exposure on small mobile areas is described. This is achieved by the combination of photovoltaic detectors, electrochemical integrators (E-cells) and filters in a small compact case which can be easily attached in close proximity to and substantially parallel to the surface being measured. In one embodiment two photovoltaic detectors, two E-cells, and three filters are packaged in a small case with attaching means consisting of a safety pin. In another embodiment, two detectors, one E-cell, three filters are packaged in a small case with attaching means consisting of a clip to clip over a side piece of an eye glass frame
Evaluation of a stall-flutter spring-damper pushrod in the rotating control system of a CH-54B helicopter
Results of a design and flight test program conducted to define the effect of rotating pushrod damping on stall-flutter induced control loads are presented. The CH-54B helicopter was chosen as the test aircraft because it exhibited stall induced control loads. Damping was introduced into the CH-54B control system by replacing the standard pushrod with spring-damper assemblies. Design features of the spring-damper are described and the results of a dynamic analysis are shown which define the pushrod stiffness and damping requirements. Flight test measurements taken at 47,000 lb gross weight with and without the damper are presented. The results indicate that the spring-damper pushrods reduced high frequency, stall-induced rotating control loads by almost 50%. Fixed system control loads were reduced by 40%. Handling qualities in stall were unchanged, as expected
The finite element machine: An experiment in parallel processing
The finite element machine is a prototype computer designed to support parallel solutions to structural analysis problems. The hardware architecture and support software for the machine, initial solution algorithms and test applications, and preliminary results are described
New Public Management And Service Science: Preparing Students For The 21st Century
This effort will seek to discover the foundations of public management and how it relates to information technology, specifically understanding E-government and other technologies in the public domain. Public Management is the development or application of methodical and systematic techniques, often employing comparison quantification, and measurement, that are designed to make the operations of public organizations more efficient, effective and increasingly responsive. This is a considerably crisper, concise, and narrow definition compared to other definitions of public administration, and its sharper focus is attributable to the larger fields encompassing of values in addition to those of efficiency, effectiveness and responsiveness
Feedback and Fluctuations in a Totally Asymmetric Simple Exclusion Process with Finite Resources
We revisit a totally asymmetric simple exclusion process (TASEP) with open
boundaries and a global constraint on the total number of particles [Adams, et.
al. 2008 J. Stat. Mech. P06009]. In this model, the entry rate of particles
into the lattice depends on the number available in the reservoir. Thus, the
total occupation on the lattice feeds back into its filling process. Although a
simple domain wall theory provided reasonably good predictions for Monte Carlo
simulation results for certain quantities, it did not account for the
fluctuations of this feedback. We generalize the previous study and find
dramatically improved predictions for, e.g., the density profile on the lattice
and provide a better understanding of the phenomenon of "shock localization."Comment: 11 pages, 3 figures, v2: Minor change
Cationic Activities and the Exchange Phenomena of Plant Roots: Relationship to Practical Problems of Nutrient Uptake
Vector magnetometer design study: Analysis of a triaxial fluxgate sensor design demonstrates that all MAGSAT Vector Magnetometer specifications can be met
The design of the vector magnetometer selected for analysis is capable of exceeding the required accuracy of 5 gamma per vector field component. The principal elements that assure this performance level are very low power dissipation triaxial feedback coils surrounding ring core flux-gates and temperature control of the critical components of two-loop feedback electronics. An analysis of the calibration problem points to the need for improved test facilities
Hyperspherical Harmonics, Separation of Variables and the Bethe Ansatz
The relation between solutions to Helmholtz's equation on the sphere
and the [{\gr sl}(2)]^n Gaudin spin chain is clarified. The joint
eigenfuctions of the Laplacian and a complete set of commuting second order
operators suggested by the --matrix approach to integrable systems, based on
the loop algebra \wt{sl}(2)_R, are found in terms of homogeneous polynomials
in the ambient space. The relation of this method of determining a basis of
harmonic functions on to the Bethe ansatz approach to integrable
systems is explained.Comment: 14 pgs, Plain Tex, preprint CRM--2174 (May, 1994
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