1,756 research outputs found
Supersonic STOVL propulsion technology program: An overview
Planning activities are continuing between NASA, the DoD, and two foreign governments to develop the technology and to show the design capability by the mid-1990's for advanced, supersonic, short takeoff and vertical landing (STOVL) aircraft. Propulsion technology is the key to achieving viable STOVL aircraft, and NASA Lewis will play a lead role in the development of these required propulsion technologies. The initial research programs are focused on technologies common to two or more of the possible STOVL propulsion system concepts. An overview is presented of the NASA Lewis role in the overall program plan and recent results of the research program. The future research program will be focused on one or possibly two of the propulsion concepts seen as most likely to be successful in the post advanced tactical fighter time frame
NASA supersonic STOVL propulsion technology program
Supersonic capable STOVL fighter/attack aircraft can provide capabilities for close support and air superiority which will be highly desirable in the future. Previous papers in this session described the historical aspects, trade-offs, and requirements for powered lift propulsion systems, and it is shown that propulsion technology is more key to the success of this type of aircraft then for any previous fighter/attack aircraft. The NASA Lewis Research Center program activities which address required propulsion technology development are discussed. Several elements of this program were initiated which address hot gas ingestion and ejector augmenter performance and some preliminary results are shown. In addition, some additional near-term research activity plans and the new Powered Lift Facility (PLF) research capability are presented
Evidence against strong correlation in 4d transition metal oxides, CaRuO3 and SrRuO3
We investigate the electronic structure of 4d transition metal oxides, CaRuO3
and SrRuO3. The analysis of the photoemission spectra reveals significantly
weak electron correlation strength (U/W ~ 0.2) as expected in 4d systems and
resolves the long standing issue that arose due to the prediction of large U/W
similar to 3d-systems. It is shown that the bulk spectra, thermodynamic
parameters and optical properties in these systems can consistently be
described using first principle approaches. The observation of different
surface and bulk electronic structures in these weakly correlated 4d systems is
unusual.Comment: 4 pages, 4 figure
Supercell studies of the Fermi surface changes in the electron-doped superconductor LaFeAsOF
We study the changes in the Fermi surface with electron doping in the
LaFeAsOF superconductors with density-functional supercell
calculations using the linearized augmented planewave (LAPW) method. The
supercell calculations with explicit F substitution are compared with those
obtained from the virtual crystal approximation (VCA) and from a simple rigid
band shift. We find significant differences between the supercell results and
those obtained from the rigid-band shift with electron doping, although quite
remarkably the supercell results are in good agreement with the virtual crystal
approximation (VCA) where the nuclear charges of the O atoms are slightly
increased to mimic the addition of the extra electrons. With electron doping,
the two cylindrical hole pockets along shrink in size, and the third
hole pocket around disappears for an electron doping concentration in
excess of about 7-8%, while the two elliptical electron cylinders along
expand in size. The spin-orbit coupling does not affect the Fermi surface much
except to somewhat reduce the size of the third hole pocket in the undoped
case. We find that with the addition of the electrons the antiferromagnetic
state becomes energetically less stable as compared to the nonmagnetic state,
indicating that the electron doping may provide an extra degree of stability to
the formation of the superconducting ground state.Comment: 7 pages, 8 figure
Charge order in Magnetite. An LDA+ study
The electronic structure of the monoclinic structure of FeO is
studied using both the local density approximation (LDA) and the LDA+. The
LDA gives only a small charge disproportionation, thus excluding that the
structural distortion should be sufficient to give a charge order. The LDA+
results in a charge disproportion along the c-axis in good agreement with the
experiment. We also show how the effective can be calculated within the
augmented plane wave methods
Self consistent GW determination of the interaction strength: application to the iron arsenide superconductors
We introduce a first principles approach to determine the strength of the
electronic correlations based on the fully self consistent GW approximation.
The approach provides a seamless interface with dynamical mean field theory,
and gives good results for well studied correlated materials such as NiO.
Applied to the recently discovered iron arsenide materials, it accounts for the
noticeable correlation features observed in optics and photoemission while
explaining the absence of visible satellites in X-ray absorption experiments
and other high energy spectroscopies.Comment: 3 figs, 4 page
Density-functional theory study of half-metallic heterostructures: interstitial Mn in Si
Using density-functional theory within the generalized gradient
approximation, we show that Si-based heterostructures with 1/4 layer
-doping of {\em interstitial} Mn (Mn) are
half-metallic. For Mn concentrations of 1/2 or 1 layer, the
states induced in the band gap of -doped heterostructures still display
high spin polarization, about 85% and 60%, respectively. The proposed
heterostructures are more stable than previously assumed -layers of
{\em substitutional} Mn. Contrary to wide-spread belief, the present study
demonstrates that {\em interstitial} Mn can be utilized to tune the magnetic
properties of Si, and thus provides a new clue for Si-based spintronics
materials.Comment: 5 pages, 4 figures, PRL accepte
Relative phase stability and lattice dynamics of NaNbO from first-principles calculations
We report total energy calculations for different crystal structures of
NaNbO over a range of unit cell volumes using the all-electron
full-potential (L)APW method. We employed both the local-density approximation
(LDA) and the Wu-Cohen form of the generalized gradient approximation (GGA-WC)
to test the accuracy of these functionals for the description of the complex
structural behavior of NaNbO. We found that LDA not only underestimates the
equilibrium volume of the system but also predicts an incorrect ground state
for this oxide. The GGA-WC functional, on the other hand, significantly
improves the equilibrium volume and provides relative phase stability in better
agreement with experiments. We then use the GGA-WC functional for the
calculation of the phonon dispersion curves of cubic NaNbO to identify the
presence of structural instabilities in the whole Brillouin zone. Finally, we
report comparative calculations of structural instabilities as a function of
volume in NaNbO and KNbO to provide insights for the understanding of
the structural behavior of KNaNbO solid solutions.Comment: Accepted for publication in Physical Review
NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations
We present a benchmark of the density functional linear response calculation
of NMR shieldings within the Gauge-Including Projector-Augmented-Wave method
against all-electron Augmented-Plane-Wavelocal-orbital and uncontracted
Gaussian basis set results for NMR shieldings in molecular and solid state
systems. In general, excellent agreement between the aforementioned methods is
obtained. Scalar relativistic effects are shown to be quite large for nuclei in
molecules in the deshielded limit. The small component makes up a substantial
part of the relativistic corrections.Comment: 3 figures, supplementary material include
Implementation of screened hybrid functionals based on the Yukawa potential within the LAPW basis set
The implementation of screened hybrid functionals into the WIEN2k code, which
is based on the LAPW basis set, is reported. The Hartree-Fock exchange energy
and potential are screened by means of the Yukawa potential as proposed by
Bylander and Kleinman [Phys. Rev. B 41, 7868 (1990)] for the calculation of the
electronic structure of solids with the screened-exchange local density
approximation. Details of the formalism, which is based on the method of
Massidda, Posternak, and Baldereschi [Phys. Rev. B 48, 5058 (1993)] for the
unscreened Hartree-Fock exchange are given. The results for the
transition-energy and structural properties of several test cases are
presented. Results of calculations of the Cu electric-field gradient in Cu2O
are also presented, and it is shown that the hybrid functionals are much more
accurate than the standard local-density or generalized gradient
approximations
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