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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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A comparison of internal energy calculation methods for diatomic molecules

Various methods of calculating the internal energy of diatomic molecules are studied. An accurate and efficient method for computing the eigenvalues of the vibrational Schroedinger equation for an arbitrary potential is developed. The method is based on a finite-element discretization using the cubic Lobatto element. A combination of spectrum slicing and the Laguerre algorithm is used to solve for the eigenvalues. A simple method to compute the quasi-bound states is presented. For N2 molecules, all vibrational-rotational states of eleven available electronic potentials are computed, and summed to obtain the exact internal energy function with temperature. The total computation required 314 seconds of CPU-time on NASA's Cray 2 computer. Various approximate models are discussed and compared with the exact numerical simulation. It is shown that the splitting of the macroscopic internal energy into separate electronic, rotational, and vibrational energies is not justified at high temperatures.

Liu, Yen↗

Highly automated transmission-edge mapping

Instrumentation and software are described, which are used to determine maps of properties of materials based on optical transmission spectra. In addition to a Fourier transform spectrometer, the hardware includes an xy-stage containing a small stationary aperture and two computer controlled stepper motors for positioning the sample. This idea has been used for years but this implementation is highly automated compared to those previously described. All mapping has been in the 2-15 micron wavelength range but this is not an inherent limitation of the technique. In this spectral range, useful results may be obtained with apertures as small as 25 microns in diameter. The software is described including the algorithm for obtaining the cut-on wavelength from a semiconductor spectrum. Data from both transverse slices and longitudinal slabs of narrow bandgap alloy semiconductors are shown including composition maps for materials solidified with convex and concave growth interfaces.

Szofran, F. R.↗

Digging for Fossils in the Hertzsprung Gap

Objective was to conduct deep (approx. 250 ks) pointings on two EUV sources, the early-F giant beta Cas and the mid-G giant mu Velorum; to obtain spectra in the range 70-300 A and to record Deep Survey light curves over the extensive duration of each observation. We have analyzed the DS lightcurve and the SW spectrum, breaking the latter lip into time slices corresponding to key phases of the observation: pre-flare, flare rise, and two segments of the flare decay.

Ayres, Thomas R.↗

The Variable X-Ray Spectrum of Markarian 766. II. Time-resolved Spectroscopy

Time-resolved spectroscopy, slicing XMM and Suzaku data down to 25 ks elements was used to investigate whether absorption or scattering components dominate the spectral variations in Mrk 766. Results: Time-resolved spectroscopy confirmed that spectral variability in Mrk 766 can be explained by either of two interpretations of principal components analysis. Detailed investigation confirmed that rapid changes in the relative strengths of scattered and direct emission or rapid changes in absorber covering fraction provide good explanations of most of the spectral variability. However, a strong correlation between the 6.97 keV absorption line and primary continuum together with rapid opacity changes showed that variations in a complex and multi-layered absorber, most likely a disk wind, are the dominant source of spectral variability in Mrk 766.

Turner, T. J.↗

Spectral representation of high-frequency Space Shuttle data

High frequency Space Shuttle liftoff data are treated by autoregressive (AR) and autoregressive-moving-average (ARMA) digital algorithms. These algorithms provide useful information on the spectral densities of the data. Further, they yield spectral models, which lend themeselves to incorporation into the concept of the random response spectrum. This concept yields a reasonably smooth power spectrum for the design of structural and mechanical systems when the available data bank is limited. Due to the nonstationary of the liftoff event, the pertinent data are split into three slices. Each of the slices is associated with a rather distinguished phase of the liftoff event, in which stationarity can be expected. The presented results are preliminary in nature; they aim to call attention to the availability of the discussed concepts and to the need to augment the Space Shuttle data bank as more flights are completed.

Spanos, P. D.↗

Microchemical and Structural Evidence for Space Weathering in Soils from Asteroid Itokawa

The chemistry, microstructure and optical properties of grains on the surfaces of airless bodies are continu-ously modified due to their interactions predominantly with solar energetic ions and micrometeorite impacts. Collectively known as space weathering, this phenomenon results in a discrepancy between remotely sensed spectra from asteroids and those ac-quired directly from meteorites. The return of pristine samples from the asteroid Itokawa provides insight into surface processes on airless bodies and will help in correlating remote sensing data with laboratory analysis of meteorites. Samples and Methods: We examined Itokawa samples RA-QD02-0042-01 and RA-QD-02-0042-02, ultramicrotomed sec-tions of a singular grain prepared by the Hayabusa sample cura-tion team. We analyzed these slices using a 200 keV JEOL 2010F transmission electron microscope (TEM) at Arizona State Uni-versity and a 200 keV JEOL 2500SE TEM at NASA JSC. Both field emission TEMs are equipped with energy-dispersive X-ray spectrometers (EDS) and scanning TEM (STEM) detectors. Results and Discussion: TEM observations reveal that the sectioned grain predominantly consists of a single crystal of low-Ca orthopyroxene, with subsidiary smaller regions of olivine, Fe-Ni sulfide, and Fe-Ni metal. EDS-spectrum imaging and high-resolution TEM (HRTEM) show local, nanocrystalline regions of the outermost 2 to 5 nm of the pyroxene are composed of an Fe-Mg-S-rich and Si- and O-depleted layer that is underlain by a 2- to 5-nm thick amorphous zone enriched in Si. These layers occur in multiple microtome slices and have uniform thicknesses. We also observe localized 'islands' of material on the surface of the pyroxene which HRTEM imaging indicates are amorphous and EDS measurements show are compositionally heterogeneous. A 10- to 60-nm thick partially amorphous zone occurs below the compositionally distinct rim. While this this zone is associated with the compositionally heterogeneous outer layer, it also occurs as a local stand-alone feature on the exterior rim of the grain. Ar-eas of the pyroxene grain rim also exhibit a vesicular texture. The TEM data indicate a complex history of space weather-ing for samples RA-QD02-0042-01 and -02. The outermost layer of nanocrystalline material with varied composition is consistent with previously suggested [3-4] chemical and structural pro-cessing by solar wind ions, with a possible additional role for im-pact vapor deposition [3-4]. The amorphous and compositionally distinct islands on the surface of this grain, similar to lunar glasses, suggest formation through vapor deposition via micrometeor-ite impact events. In comparison, the amorphization and vesicula-tion textures are likely a product of radiation damage from the solar wind. The depth and degree of amorphization, in conjunction with model calculations, will help provide an upper limit on exposure time for these particles.

Thompson, M. S.↗

Representation of high frequency Space Shuttle data by ARMA algorithms and random response spectra

High frequency Space Shuttle lift-off data are treated by autoregressive (AR) and autoregressive-moving-average (ARMA) digital algorithms. These algorithms provide useful information on the spectral densities of the data. Further, they yield spectral models which lend themselves to incorporation to the concept of the random response spectrum. This concept yields a reasonably smooth power spectrum for the design of structural and mechanical systems when the available data bank is limited. Due to the non-stationarity of the lift-off event, the pertinent data are split into three slices. Each of the slices is associated with a rather distinguishable phase of the lift-off event, where stationarity can be expected. The presented results are rather preliminary in nature; it is aimed to call attention to the availability of the discussed digital algorithms and to the need to augment the Space Shuttle data bank as more flights are completed.

Spanos, P. D.↗

Unique NISTAR-Based Climate GCM Diagnostics of the Earth’s Planetary Albedo and Spectral Absorption Through Longitudinal Data Slicing

Deep Space Climate Observatory (DSCOVR) measurements of Earth’s reflected solar and emitted thermal radiation permit a unique model/data comparison perspective that is not readily available from other satellite data. The key factor is the unique Lissajous orbital viewing geometry from the Lagrangian L1 point, which enables a continuous view of Earth’s sunlit hemisphere. The National Institute of Standards and Technology Advanced Radiometer (NISTAR) is the DSCOVR Mission energy budget instrument, which views the reflected and emitted radiation of the Earth’s sunlit hemisphere by means of single pixel active cavity full-spectrum (Band-A, 0.2–100 μm) and filtered solar wavelength (Band-B, 0.2–4.0 μm; and Band-C, 0.7–4.0 μm) radiometer measurements. An additional solar wavelength photodiode channel (0.3–1.1 μm) provides a calibration reference. The objective of this study is the assessment of climate GCM performance via direct model/data comparisons. Such comparisons are difficult due to quasi-chaotic natural variability present in real-world observational data and in climate GCM simulations. This is where the unique DSCOVR viewing geometry makes possible the longitudinal data slicing methodology for more direct model/data comparison. The key point of the longitudinal slicing approach is that data integration over the entire sunlit hemisphere eliminates the quasi-chaotic meteorological weather-scale noise, while preserving intra-seasonal and planetary-scale variability. The rotation of the Earth that retrieves this climate-style, large-scale longitudinal and seasonal variability. The hemispheric averaging is accomplished automatically in NISTAR measurements with its single-pixel view of the Earth. For climate GCMs, this requires implementing the Sunlit Hemisphere Sampling (SHS) scheme to operate on the GCM run-time output data, utilizing the DSCOVR Satellite Ephemeris data to assure precise viewing geometry between NISTAR measurements and GCM output data, while averaging out the meteorological weather noise. However, GCM generated data are radiative fluxes, while NISTAR (and EPIC) measurements are near-backscattered radiances. Conversing NISTSR measurements into radiative fluxes cannot be accomplished using NISTAR data alone, even with detailed support from conventional satellite data. But the identical viewing geometry of Earth’s sunlit hemisphere, and synergistic analyses of EPIC data make it feasible for this conversion of NISTAR near-backscatter radiances into radiative fluxes.

deep space climate observatory↗

A Chromaticity Analysis and PSF Subtraction Techniques for SCExAO/CHARIS Data

We present an analysis of instrument performance using new observations taken with the Coronagraphic High Angular Resolution Imaging Spectrograph (CHARIS) instrument and the Subaru Coronagraphic Extreme Adaptive Optics (SCExAO) system. In a correlation analysis of our data sets (which use the broadband mode covering the J band through the K band in a single spectrum), we find that chromaticity in the SCExAO/CHARIS system is generally worse than temporal stability. We also develop a point-spread function (PSF) subtraction pipeline optimized for the CHARIS broadband mode, including a forward modeling-based exoplanet algorithmic throughput correction scheme. We then present contrast curves using this newly developed pipeline. An analogous subtraction of the same data sets using only the H-band slices yields the same final contrasts as the full JHK sequences; this result is consistent with our chromaticity analysis, illustrating that PSF subtraction using spectral differential imaging (SDI) in this broadband mode is generally not more effective than SDI in the individual J, H, or K bands. In the future, the data processing framework and analysis developed in this paper will be important to consider for additional SCExAO/CHARIS broadband observations and other ExAO instruments which plan to implement a similar integral field spectrograph broadband mode.

Benjamin L. Gerard↗

Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows. ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, were grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals were characterized extensively to correlate the grown crystal properties with the growth conditions. The following are the research progress in the past two years. In-situ monitoring of partial pressure by optical absorption technique and visual observation of the growing crystal were performed during vapor growth of ZnSe. Low-temperature photoluminescence (PL) spectra and glow discharge mass spectroscopy (GDMS) were measured on ZnSe starting materials provided by various vendors and on bulk crystals grown from these starting materials by physical vapor transport (PVT) to study the effects of purification and contamination during crystal growth process. Optical characterization was performed on wafers sliced from the grown crystals of ZnSe, ZnTe and ZnSe(1-x),Te(x), (0<x<0.4). Energy band gaps at room temperature were determined from optical transmission measurements and a best fit curve to the band gap vs. composition, x, data gives a bowing parameter of 1.45. Low-temperature photoluminescence (PL) spectra of ZnSe and ZnTe were dominated by near band edge emissions and no deep donor-acceptor pairs were observed. The PL spectrum exhibited a broad emission for the ZnSe(1-x),Te(x), samples, 0.09<x<0.39. The single broad PL emission spectra and the spectra measured as a function of temperature were interpreted as being associated with the exciton bound to Te clusters because of the high Te content in these samples. To validate numerical codes, in-situ monitoring during the PVT of HgI2 was designed. Optical absorption spectra of the vapor phase over HgI2 were measured for wavelengths between 200 and 600nm at sample temperatures between 349 and 610K. The Beer's Law constants for 15 wavelengths between 200 and 440 nm were determined. From these constants the vapor pressure of HgI2 was established as a function of temperature for the liquid and the solid Beta-phases To characterize the growth conditions during the PVT growth of In-doped ZnSe the optical absorbance of the vapor phase over the In-Se system were measured and were used to obtain the partial pressures of Se2(g) and In2Se(g).

Su, Ching-Hua↗

Optical Characterization of Bulk ZnSeTe Solid Solutions

Optical characterization was performed on wafers sliced from crystals of ZnSe, ZnTe, and ZnSe(1-x)Te(x)(0 less than x less than 0.4) grown by physical vapor transport. Energy band gaps at room temperature were determined from optical transmission measurements on 11 wafers. A best fit curve to the band gap versus composition x data gives a bowing parameter of 1.45. This number lies between the value of 1.23 determined previously on ZnSeTe bulk crystals and the value of 1.621 reported on ZnSeTe epilayers. Low-temperature photoluminescence (PL) spectra were measured on six samples. The spectra of ZnSe and ZnTe were dominated by near band edge emissions and no deep donor-acceptor pairs were observed. The PL spectrum exhibited a broad emission for each of the ZnSe(1-x)Te(x) samples, 0.09 less than x less than 0.39. For x=0.09, this emission energy is about 0.2 eV lower than the band gap energy measured at low temperature. As x increases the energy discrepancy gradually decreases and reduces to almost zero at x=0.4. The single broad PL emission spectra and the spectra measured as a function of temperature were interpreted as being associated with the exciton bound to Te clusters because of the high Te content in these samples.

Su, Ching-Hua↗

Development of a high efficiency thin silicon solar cell

One hundred thin (120 microns to 260 microns) silicon-aluminum solar cells were fabricated and tested. Silicon slices were prepared, into which an aluminum alloy was evaporated over a range of temperatures and times. Antireflection coatings of tantalum oxide were applied to the cells. Reflectance of the silicon-aluminum interfaces was correlated to alloy temperature (graphs are shown). Optical measurements of the rear surface-internal reflectance of the cells were performed using a Beckman spectrophotometer. An improved gridline pattern was evaluated and stability tests (thermal cycling tests) were performed. Results show that: (1) a high-index, high-transmittance antireflection coating was obtained; (2) the improved metallization of the cells gave a 60 percent rear surface-internal reflectance, and the cells displayed excellent fill factors and blue response of the spectrum; (3) an improved gridline pattern (5 micron linewidths compared to 13 micron linewidths) resulted in a 1.3 percent improvement in short circuit currents; and (4) the stability tests showed no change in cell properties.

Lindmayer, J.↗

Optical Characterization of Bulk ZnSeTe Solid Solutions

Optical characterization was performed on wafers sliced from crystals of ZnSe, ZnTe and ZnSe (sub 1-x) Te (sub x) (0 less than x less than 0.4) grown by physical vapor transport technique. The energy band gaps at room temperature were determined from optical transmission measurements on 11 wafers. The best fit to the band gap vs. composition, x, data gives a bowing parameter of 1.336 which is between the value of 1.23 determined previously on ZnSeTe bulk crystals by reflectivity and the value of 1.621 reported on epilayers by photoconductivity. Low-temperature photoluminescence (PL) spectra were measured on 6 samples. The spectra of ZnSe and ZnTe were dominated by near band edge emissions and no deep donor-acceptor pairs were observed. The PL spectrum exhibited a broad emission for each of the ZnSe (sub 1-x) Te (sub x) samples, 0.09 less than x less than 0.39. For x = 0.09, this emission energy is about 0.2eV lower than the band gap energy measured at low temperature. As x increases the energy discrepancy gradually decreases and reduces to almost zero at x = 0.4. The single broad PL emission spectra and the spectra measured as a function of temperature were interpreted to be associated with the exciton bound to Te clusters because of the high Te content in these samples.

Su, Ching-Hua↗

A Numerical and Experimental Study of Coflow Laminar Diffusion Flames: Effects of Gravity and Inlet Velocity

In this work, the influence of gravity, fuel dilution, and inlet velocity on the structure, stabilization, and sooting behavior of laminar coflow methane-air diffusion flames was investigated both computationally and experimentally. A series of flames measured in the Structure and Liftoff in Combustion Experiment (SLICE) was assessed numerically under microgravity and normal gravity conditions with the fuel stream CH4 mole fraction ranging from 0.4 to 1.0. Computationally, the MC-Smooth vorticity-velocity formulation of the governing equations was employed to describe the reactive gaseous mixture; the soot evolution process was considered as a classical aerosol dynamics problem and was represented by the sectional aerosol equations. Since each flame is axisymmetric, a two-dimensional computational domain was employed, where the grid on the axisymmetric domain was a nonuniform tensor product mesh. The governing equations and boundary conditions were discretized on the mesh by a nine-point finite difference stencil, with the convective terms approximated by a monotonic upwind scheme and all other derivatives approximated by centered differences. The resulting set of fully coupled, strongly nonlinear equations was solved simultaneously using a damped, modified Newton's method and a nested Bi-CGSTAB linear algebra solver. Experimentally, the flame shape, size, lift-off height, and soot temperature were determined by flame emission images recorded by a digital camera, and the soot volume fraction was quantified through an absolute light calibration using a thermocouple. For a broad spectrum of flames in microgravity and normal gravity, the computed and measured flame quantities (e.g., temperature profile, flame shape, lift-off height, and soot volume fraction) were first compared to assess the accuracy of the numerical model. After its validity was established, the influence of gravity, fuel dilution, and inlet velocity on the structure, stabilization, and sooting tendency of laminar coflow methane-air diffusion flames was explored further by examining quantities derived from the computational results.

microgravity↗