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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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NASA NTRS1980

On the 3d2 4s2, 3d3 4s1, and 3d4 states of Ti

The energies of the 3F (3d2 4s2), 5F (3d3 4s1) and 5D (3d4) states of Ti are investigated on the basis of MCSCF and CI calculations. Following SCF calculations using a basis set including the primitive set of Wachters (1970) and the diffuse d function of Hay (1977), four full-electron CI calculations involving the 3d and 4s electrons were performed to obtain the natural orbitals, and the full CI calculations were repeated. MCSCF calculations then performed using the most important configurations of the natural orbital basis are found to be in agreement with those of Dunning (1980), but to differ from CI results. CI(SD) calculations including single and double excitations from the MCSCF reference are found to be in agreement with the full CI but differ from experimental energy separations. Further calculations reveal that Dunning's MCSCF description is an oversimplication of the problem, and that the 5F-5D separation at the CI(SD) level is in good agreement with experiment for all basis sets but the 3F state is too low relative to the 5F and 5D states.

Bauschlicher, C. W., Jr.↗
NASA NTRS1986

Protein crystal growth - Growth kinetics for tetragonal lysozyme crystals

Results are reported from theoretical and experimental studies of the growth rate of lysozyme as a function of diffusion in earth-gravity conditions. The investigations were carried out to form a comparison database for future studies of protein crystal growth in the microgravity environment of space. A diffusion-convection model is presented for predicting crystal growth rates in the presence of solutal concentration gradients. Techniques used to grow and monitor the growth of hen egg white lysozyme are detailed. The model calculations and experiment data are employed to discuss the effects of transport and interfacial kinetics in the growth of the crystals, which gradually diminished the free energy in the growth solution. Density gradient-driven convection, caused by presence of the gravity field, was a limiting factor in the growth rate.

Pusey, M. L.↗
NASA NTRS2014

RITRACKS: A Software for Simulation of Stochastic Radiation Track Structure, Micro and Nanodosimetry, Radiation Chemistry and DNA Damage for Heavy Ions

The code RITRACKS (Relativistic Ion Tracks) has been developed over the last few years at the NASA Johnson Space Center to simulate the effects of ionizing radiations at the microscopic scale, to understand the effects of space radiation at the biological level. The fundamental part of this code is the stochastic simulation of radiation track structure of heavy ions, an important component of space radiations. The code can calculate many relevant quantities such as the radial dose, voxel dose, and may also be used to calculate the dose in spherical and cylindrical targets of various sizes. Recently, we have incorporated DNA structure and damage simulations at the molecular scale in RITRACKS. The direct effect of radiations is simulated by introducing a slight modification of the existing particle transport algorithms, using the Binary‐Encounter‐Bethe model of ionization cross sections for each molecular orbitals of DNA. The simulation of radiation chemistry is done by a step‐by‐step diffusion‐reaction program based on the Green's functions of the diffusion equation]. This approach is also used to simulate the indirect effect of ionizing radiation on DNA. The software can be installed independently on PC and tablets using the Windows operating system and does not require any coding from the user. It includes a Graphic User Interface (GUI) and a 3D OpenGL visualization interface. The calculations are executed simultaneously (in parallel) on multiple CPUs. The main features of the software will be presented.

Plante, I↗
NASA NTRS2011

Michigan Orbital DEbris Survey Telescope Observations of the Geosynchronous Orbital Debris Environment. Observing Years: 2007-2009

NASA uses the Michigan Orbital DEbris Survey Telescope (MODEST), the University of Michigan's 0.61-m aperture Curtis-Schmidt telescope at the Cerro Tololo Inter-American Observatory in Chile, to help characterize the debris environment in geosynchronous orbit; this began in February 2001 and continues to the present day. Detected objects that are found to be on the U.S. Space Surveillance Network cataloged objects list are termed correlated targets (CTs), while those not found on the list are called uncorrelated targets (UCTs). This Johnson Space Center report provides details of observational and data-reduction processes for the entire MODEST dataset acquired in calendar years (CYs) 2007, 2008, and 2009. Specifically, this report describes the collection and analysis of 36 nights of data collected in CY 2007, 43 nights of data collected in CY 2008, and 43 nights of data collected in CY 2009. MODEST is equipped with a 2048 x 2048-pixel charged coupled device camera with a 1.3 by 1.3 deg field of view. This system is capable of detecting objects fainter than 18th magnitude (R filter) using a 5-s integration. This corresponds to a 20-cm diameter, 0.175-albedo object at 36,000 km altitude assuming a diffuse Lambertian phase function. The average number of detections each night over all 3 years was 26. The percentage of this number that represented the UCT population ranged from 34% to 18%, depending on the observing strategy and the field center location. Due to the short orbital arc over which observations are made, the eccentricity of the object s orbit is extremely difficult to measure accurately. Therefore, a circular orbit was assumed when calculating the orbital elements. A comparison of the measured inclination (INC), right ascension of ascending node (RAAN), and mean motion to the quantities for CTs from the U.S. Space Surveillance Network shows acceptable errors. This analysis lends credibility to the determination of the UCT orbital distributions. Figure 1 shows the size distribution of 3,143 objects detected in the data processed for CYs 2007, 2008, and 2009. The actual peak of the absolute magnitude distribution for the functional correlated targets is 10th magnitude, whereas the peak was 11th magnitude in 2002 2003 and 10th magnitude for 2004-2006. An absolute magnitude of 10.5 corresponds to objects with average diameters of 6.3 m, assuming an albedo of 0.175 and a diffuse Lambertian phase function. This result generally agrees with the known sizes of intact satellites. The absolute magnitude distribution for the UCTs is broad, but starts to roll off near 25 cm diameter or 17.5 magnitude. This roll off in the distribution reflects the detection capability of MODEST, not the true nature of the population. The true population is believed to continue at the same slope through fainter magnitudes based on comparisons with the LEO break-up law.

Abercromby, K. J.↗
NASA NTRS1987

Tidal influences on vertical diffusion and diurnal variability of ozone in the mesosphere

Possible dynamical influences on the diurnal behavior of ozone are investigated. A time dependent one-dimensional photochemical model is developed for this purpose; all model calculations are made at 70 deg N during summer. It is shown that the vertical diffusion can vary as much as 1 order of magnitude within a day as a result of large changes in the zonal wind induced by atmospheric thermal tides. It is found that by introducing a dissipation time scale for turbulence produced by breaking gravity waves, the agreement with Poker Flat echo data is improved. Comparisons of results from photochemical model calculations, where the vertical diffusion is a function of height only, with those in which the vertical diffusion coefficient is changing in time show large differences in the diurnal behavior of ozone between 70 and 90 km. By including the dynamical effect, much better agreement with the Solar Mesosphere Explorers data is obtained. The results are, however, sensitive to the background zonally averaged wind. The influence of including time-varying vertical diffusion coefficient on the OH densities is also large, especially between 80 and 90 km. This suggests that dynamical effects are important in determining the diurnal behavior of the airglow emission from the Meinel bands.

Bjarnason, Gudmundur G.↗
NASA NTRS1998

The Growth of Protein Crystals Using McDUCK

Most of the current microgravity crystal growth hardware is optimized to produce crystals within the limited time available on orbit. This often results in the actual nucleation and growth process being rushed or the system not coming to equilibrium within the limited time available. Longer duration hardware exists, but one cannot readily pick out crystals grown early versus those which nucleated and grew more slowly. We have devised a long duration apparatus, the Multi-chamber Dialysis Unit for Crystallization Kinetics, or McDUCK. This apparatus-is a series of protein chambers, stacked upon a precipitant reservoir chamber. All chambers are separated by a dialysis membrane, which serves to pass small molecules while retaining the protein. The volume of the Precipitant chamber is equal to the sum of the volumes of the protein chamber. In operation, the appropriate chambers are filled with precipitant solution or protein solution, and the McDUCK is placed standing upright, with the precipitant chamber on the bottom. The precipitant diffuses upwards over time, with the time to reach equilibration a function of the diffusivity of the precipitant and the overall length of the diffusion pathway. Typical equilibration times are approximately 2-4 months, and one can readily separate rapid from slow nucleation and growth crystals. An advantage on Earth is that the vertical precipitant concentration gradient dominates that of the solute, thus dampening out solute density gradient driven convective flows. However, large Earth-grown crystals have so far tended to be more two dimensional. Preliminary X-ray diffraction analysis of lysozyme crystals grown in McDUCK have indicated that the best, and largest, come from the middle chambers, suggesting that there is an optimal growth rate. Further, the improvements in diffraction resolution have been better signal to noise ratios in the low resolution data, not an increase in resolution overall. Due to the persistently large crystals grown we are currently proposing McDUCK for the growth of macromolecule crystals for use in neutron diffraction studies.

Ewing, Felicia↗
NASA NTRS1981

Computing diffuse reflection from particulate planetary surface with a new function

An equation is derived to compute the amount of diffuse light reflected by a particulate surface, such as on Mars or an asteroid. The method traces the paths of rays within an ensemble of randomly shaped grains and finds the eventual probability of emission. The amount of diffuse, unpolarized emitted light is obtained in terms of the real index of refraction, the imaginary index, and the average diameter of particles making up the surface. The equation is used to compute the empirical rule for obtaining the planetary albedo from the slope of its polarization curve. Accuracy of the equation, estimated at + or - 4%, seems justified because of quantitative agreement with experimental measures of the empirical rule. It is also shown that the equation can be applied to bubble-enclosing surfaces such as volcanic foams. Results for the indices of the moon, Mars, Io, and Europa are obtained and compared with other data.

Wolff, M.↗
NASA NTRS1991

The albedo and scattering phase function of interstellar dust and the diffuse background at far-ultraviolet wavelengths

The diffuse FUV background in a variety of targets has been observed with a nebular spectrometer designed specifically to eliminate potential sources of contamination. The intensity of the background near the Galactic plane is found to be much lower than previously published. The data are analyzed using a radiative transfer model with a limited set of free parameters, including those which describe the scattering properties of the interstellar dust. Strong evidence is presented that scattering of starlight by Galactic dust associated with neutral hydrogen produces the major part of the FUV diffuse background. Few assumptions are necessary to conclude that the albedo of the grains is low in the FUV. The grains, at least at high latitude, scatter fairly isotropically in the FUV. The low FUV albedo and the usual phase factor g are not consistent with predictions of standard models for the size distribution and composition of interstellar grains.

Hurwitz, Mark↗
NASA NTRS1995

Modeling transport kinetics in clinoptilolite-phosphate rock systems

Nutrient release in clinoptilolite-phosphate rock (Cp-PR) systems occurs through dissolution and cation-exchange reactions. Investigating the kinetics of these reactions expands our understanding of nutrient release processes. Research was conducted to model transport kinetics of nutrient release in Cp-PR systems. The objectives were to identify empirical models that best describe NH4, K, and P release and define diffusion-controlling processes. Materials included a Texas clinoptilolite (Cp) and North Carolina phosphate rock (PR). A continuous-flow thin-disk technique was used. Models evaluated included zero order, first order, second order, parabolic diffusion, simplified Elovich, Elovich, and power function. The power-function, Elovich, and parabolic-diffusion models adequately described NH4, K, and P release. The power-function model was preferred because of its simplicity. Models indicated nutrient release was diffusion controlled. Primary transport processes controlling nutrient release for the time span observed were probably the result of a combination of several interacting transport mechanisms.

NASA Center JSC↗
NASA NTRS2010

Optical Imaging and Radiometric Modeling and Simulation

OPTOOL software is a general-purpose optical systems analysis tool that was developed to offer a solution to problems associated with computational programs written for the James Webb Space Telescope optical system. It integrates existing routines into coherent processes, and provides a structure with reusable capabilities that allow additional processes to be quickly developed and integrated. It has an extensive graphical user interface, which makes the tool more intuitive and friendly. OPTOOL is implemented using MATLAB with a Fourier optics-based approach for point spread function (PSF) calculations. It features parametric and Monte Carlo simulation capabilities, and uses a direct integration calculation to permit high spatial sampling of the PSF. Exit pupil optical path difference (OPD) maps can be generated using combinations of Zernike polynomials or shaped power spectral densities. The graphical user interface allows rapid creation of arbitrary pupil geometries, and entry of all other modeling parameters to support basic imaging and radiometric analyses. OPTOOL provides the capability to generate wavefront-error (WFE) maps for arbitrary grid sizes. These maps are 2D arrays containing digital sampled versions of functions ranging from Zernike polynomials to combination of sinusoidal wave functions in 2D, to functions generated from a spatial frequency power spectral distribution (PSD). It also can generate optical transfer functions (OTFs), which are incorporated into the PSF calculation. The user can specify radiometrics for the target and sky background, and key performance parameters for the instrument s focal plane array (FPA). This radiometric and detector model setup is fairly extensive, and includes parameters such as zodiacal background, thermal emission noise, read noise, and dark current. The setup also includes target spectral energy distribution as a function of wavelength for polychromatic sources, detector pixel size, and the FPA s charge diffusion modulation transfer function (MTF).

Ha, Kong Q.↗
NASA NTRS1993

Irradiance calibration with solar diffuser

The sun's energy is used in combination of movable and fixed diffuser plates, windows and apertures which are positioned in a series of test sequences (modes) for reflectance monitoring and calibration without the use of man-made sources. There are three embodiments, or implementations, of the invention--one embodiment uses two diffusers--a working diffuser and a secondary diffuser--the second embodiment uses three diffusers, a working diffuser, a secondary diffuser and a reference diffuser--and the third embodiment uses two diffusers--a working diffuser and a secondary diffuser, the latter also functioning as a cover for the working diffuser. The movable diffusers are mounted on rotatable cones and, in all embodiments, the sun is blocked from reaching the diffusers when not in use. Thus, the sun is used as a stable source for calibration and monitoring and the sun/diffuser combination is used in such a way that the response of all elements of the optical subsystem of the TOMS can be unambiguously and efficiently characterized with high accuracy and precision.

Haring, Robert E.↗
NASA NTRS1991

Diurnal forcing of planetary atmospheres

A free convection parameterization has been introduced into the Mars Planetary Boundary Layer Model (MPBL). Previously, the model would fail to generate turbulence under conditions of zero wind shear, even when statically unstable. This in turn resulted in erroneous results at the equator, for example, when the lack of Coriolis forcing allowed zero wind conditions. The underlying cause of these failures was the level 2 second-order turbulence closure scheme which derived diffusivities as algebraic functions of the Richardson number (the ratio of static stability to wind shear). In the previous formulation, the diffusivities were scaled by the wind shear--a convenient parameter since it is non-negative. This was the drawback that all diffusivities are zero under conditions of zero shear (viz., the free convection case). The new scheme tests for the condition of zero shear in conjunction with static instability and recalculates the diffusivities using a static stability scaling. The results for a simulation of the equatorial boundary layer at autumnal equinox are presented. (Note that after some wind shear is generated, the model reverts to the traditional diffusivity calculation.)

Houben, Howard C.↗
NASA NTRS1989

Tribological properties of ceramic/Ti3Al-Nb sliding couples for use as candidate seal materials to 700 deg C

Tribological properties of Ti3Al-Nb intermetallic disks sliding against alumina-boria-silicate fabric were ascertained in air at temperatures from 25 to 700 C. These materials are candidates for sliding seal applications for the National AeroSpace Plane. The tests were done using a pin on disk tribometer. Sliding was unidirectional at 0.27 m/sec under a nominal contact stress of 340 kPa. Gold sputter or ion plating deposited films were used to reduce friction and wear. Rhodium and palladium films were used beneath the gold lubricating films to prevent diffusion of the substrate into the gold at high temperature. The friction and wear of the unlubricated specimens was unacceptable. Friction coefficients were generally greater than 1.0. The ion plated gold films, when used with a rhodium diffusion barrier reduced friction by almost a factor of 2. Wear was also substantially reduced. The sputter deposited films were not adherent unless the substrate was sputter cleaned immediately prior to film deposition. Palladium did not function as a diffusion barrier.

Dellacorte, Christopher↗
NASA NTRS1990

Tribological properties of ceramic-(Ti3Al-Nb) sliding couples for use as candidate seal materials to 700 C

Tribological properties of Ti3Al-Nb intermetallic disks sliding against alumina-boria-silicate fabric were ascertained in air at temperatures from 25 to 700 C. These materials are candidates for sliding seal applications for the National AeroSpace Plane. The tests were done using a pin on disk tribometer. Sliding was unidirectional at 0.27 m/sec under a nominal contact stress of 340 kPa. Gold sputter or ion plating deposited films were used to reduce friction and wear. Rhodium and palladium films were used beneath the gold lubricating films to prevent diffusion of the substrate into the gold at high temperature. The friction and wear of the unlubricated specimens was unacceptable. Friction coefficients were generally greater than 1.0. The ion plated gold films, when used with a rhodium diffusion barrier reduced friction by almost a factor of 2. Wear was also substantially reduced. The sputter deposited films were not adherent unless the substrate was sputter cleaned immediately prior to film deposition. Palladium did not function as a diffusion barrier.

Dellacorte, Christhopher↗