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Monte Carlo method for magnetic impurities in metals

The paper discusses a Monte Carlo algorithm to study properties of dilute magnetic alloys; the method can treat a small number of magnetic impurities interacting wiith the conduction electrons in a metal. Results for the susceptibility of a single Anderson impurity in the symmetric case show the expected universal behavior at low temperatures. Some results for two Anderson impurities are also discussed.

Hirsch, J. E.↗

Gas turbine critical research and advanced technology (CRT) support project

The technical progress to provide a critical technology base for utility gas turbine systems capable of burning coal-derived fuels is summarized. Project tasks include the following: (1) combustion - to investigate the combustion of coal-derived fuels and the conversion of fuel-bound nitrogen to NOx; (2) materials - to understand and prevent the hot corrosion of turbine hot section materials; and (3) system studies - to integrate and guide the technological efforts. Technical accomplishments include: an extension of flame tube combustion testing of propane - Toluene Fuel Mixtures to vary H2 content from 9 to 18 percent by weight and the comparison of results with that predicted from a NASA Lewis General Chemical Kinetics Computer Code; the design and fabrication of combustor sector test section to test current and advanced combustor concepts; Testing of Catalytic combustors with residual and coal-derived liquid fuels; testing of high strength super alloys to evaluate their resistance to potential fuel impurities using doped clean fuels and coal-derived liquids; and the testing and evaluation of thermal barrier coatings and bond coatings on conventional turbine materials.

Furman, E. R.↗

Performance Of Infrared-Detector Array

Report describes design, characteristics, and performance of Si:Sb integrated array of infrared detectors, sensitivity of which extends to wavelength of about 31 micrometer, improvement over 28-micrometer limit of current Si:As impurity-band-conduction devices. Also describes electronics and special Dewar system developed to test device at low temperature to reduce background noise.

Goebel, J. H.↗

Sulfur at nickel-alumina interfaces - Molecular orbital theory

Previous studies on Al-Ni alloys containing sulfur as an impurity suggest that, when S is in the interface between a metal and an oxide scale, it weakens the chemical bonding between them. This paper investigates factors responsible for this effect, using a molecular orbital theory to predict sulfur structures and electronic properties on the Ni-Al2O3 interface. It is shown that, in absence of S, the basal plane of Al2O3 will bind strongly through the Al(3+) cation surface to Ni (111). When segregated S impurity is present on the Ni surface, there are too few interfacial AlS bonds to effect good adhesion, leading to an inhibition of the oxide scale adhesion in NiCrAl alloys.

Hong, S. Y.↗

Laser measurements of ozone absorption cross sections in the Chappuis band

A sensitive spectrometer has been developed that exploits several He-Ne laser transitions in the visible for precise, high resolution measurements of Chappuis band ozone absorption cross sections at room temperature. An overall uncertainty of better than one percent has been achieved through a combination of transducer calibrations and an experimental technique that unambiguously determines the impurity content of each ozone sample. Results compare favorably with those from most previous analyses in the visible range, though some are obviously lower than this consensus due probably to errors in ozone density measurements.

Anderson, Stuart M.↗

The growth of zinc selenide single crystals by physical vapor transport in microgravity

Growth and characterization studies will be performed on zinc selenide single crystals. The high temperature outgassing behavior of the silica ampoule material will be studied in order to develop a cleaning and bake-out procedure that will minimize the amount of impurities introduced into the vapor from the ampoule materials and in particular during the seal-off procedure. The outgassing behavior of the ZnSe starting material will be studied during high vacuum refinement at elevated temperatures in order to develop a temperature pressure program that will optimize the removal of impurities while minimizing a shift in stoichiometry due to preferred evaporation of the higher fugacity component. The mass spectrometer system was completed, and after calibration, will be used to perform the above tasks. The system and its operation is described in detail.

Anderson, Elmer E.↗

Calibration of a mass spectrometer experiment for ozone

A system with which to calibrate a stratospheric mass spectrometer experiment for ozone has been developed and evaluated. The stability of ozone and the formation of impurities within the calibration volume were measured. The half-life of ozone is about 12 hours, its purity ranges from 95% to 99% and is known to within 1%. The total calibration accuracy of the mass spectrometer experiment for ozone is about + or - 2%.

Anderson, S.↗

Electronic Characterization of Defects in Narrow Gap Semiconductors-Comparison of Electronic Energy Levels and Formation Energies in Mercury Cadmium Telluride, Mercury Zinc Telluride, and Mercury Zinc Selenide

We have used a Green's function technique to calculate the energy levels and formation energy of deep defects in the narrow gap semiconductors mercury cadmium telluride (MCT), mercury zinc telluride (MZT) and mercury zinc selenide (MZS). The formation energy is calculated from the difference between the total energy with an impurity cluster and the total energy for the perfect crystal. Substitutional (including antisite), interstitial (self and foreign), and vacancy deep defects are considered. Relaxation effects are calculated (with molecular dynamics). By use of a pseudopotential, we generalize the ideal vacancy model so as to be able to consider relaxation for vacancies. Different charge states are considered and the charged state energy shift (as computed by a modified Haldane-Anderson model) can be twice that due to relaxation. Different charged states for vacancies were not calculated to have much effect on the formation energy. For all cases we find deep defects in the energy gap only for cation site s-like orbitals or anion site p-like orbitals, and for the substitutional case only the latter are appreciably effected by relaxation. For most cases for MCT, MZT, MZS, we consider x (the concentration of Cd or Zn) in the range appropriate for a band gap of 0.1 eV. For defect energy levels, the absolute accuracy of our results is limited, but the precision is good, and hence chemical trends are accurately predicted. For the same reason, defect formation energies are more accurately predicted than energy level position. We attempt, in Appendix B, to calculate vacancy formation energies using relatively simple chemical bonding ideas due to Harrison. However, these results are only marginally accurate for estimating vacancy binding energies. Appendix C lists all written reports and publications produced for the grant. We include abstracts and a complete paper that summarizes our work which is not yet available.

Patterson, James D.↗

The physics of creep and attenuation in the mantle

The objective is to investigate the role of dislocations in both creep and attenuation. Attenuation in the mantle at seismic frequencies is thought to be caused by the glide of dislocations in the subgrains. Both kink and impurity drag can contribute to the glide time constant. The kink-formation, or Peierls barrier, model for dislocation glide is seen as a low-temperature, high-frequency mechanism most appropriate for pure systems. It is noted that a small amount of impurity drag brings the dislocation glide characteristic time into the seismic band at upper-mantle temperatures. The attenuation and creep behavior of the mantle are related by way of the dislocation structure. Analysis of the various possible mechanisms is facilitated by casting them and the geophysical data in terms of a pre-exponential characteristic time and an activation energy.

Anderson, D. L.↗

Liquidus temperature and optical properties measurement by containerless techniques

Reactive alloy liquidus temperatures measured by conventional, contained techniques are often in error due to reactions with containers and gaseous impurities. This paper describes a new liquidus temperature measurement technique that avoids these problems by employing containerless processing. This technique relies on precise and accurate noncontact temperature measurements (NCTM), which are made possible by spectral emissivity values. The spectral emissivities, epsilon(sub lambda), are measured along with the optical properties (real, n, and imaginary, k, components of the index of refraction) using polarimetric techniques on electromagnetically levitated specimens. Results from work done at Vanderbilt University and Intersonics on the Ti-Al system are presented to demonstrate the above techniques.

Anderson, Collin D.↗

Air Force F-16 Aircraft Engine Aerosol Emissions Under Cruise Altitude Conditions

Selected results from the June 1997 Third Subsonic Assessment Near-Field Interactions Flight (SNIF-III) Experiment are documented. The primary objectives of the SNIF-III experiment were to determine the partitioning and abundance of sulfur species and to examine the formation and growth of aerosol particles in the exhaust of F-16 aircraft as a function of atmospheric and aircraft operating conditions and fuel sulfur concentration. This information is, in turn, being used to address questions regarding the fate of aircraft fuel sulfur impurities and to evaluate the potential of their oxidation products to perturb aerosol concentrations and surface areas in the upper troposphere. SNIF-III included participation of the Vermont and New Jersey Air National Guard F-16's as source aircraft and the Wallops Flight Facility T-39 Sabreliner as the sampling platform. F-16's were chosen as a source aircraft because they are powered by the modern F-100 Series 220 engine which is projected to be representative of future commercial aircraft engine technology. The T-39 instrument suite included sensors for measuring volatile and non-volatile condensation nuclei (CN), aerosol size distributions over the range from 0.1 to 3.0 (micro)m, 3-D winds, temperature, dewpoint, carbon dioxide (CO2), sulfur dioxide (SO2), sulfuric acid (H2SO4), and nitric acid (HNO3).

Anderson, Bruce E.↗