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NASA NTRS1994

A thermosphere-ionosphere-mesosphere-electrodynamic general circulation model (time-GCM): Equinox solar cycle minimum simulations (30-500 km)

A new simulation model of the mesosphere, thermosphere, and ionosphere with coupled electrodynamics has been developed and used to calculate the global circulation, temperature and compositional structure between 30-500 km for equinox, solar cycle minimum, geomagnetic quiet conditions. The model incorporates all of the features of the National Center for Atmospheric Research (NCAR) thermosphere-ionosphere- electrodynamics general circulation model (TIE-GCM) but the lower boundary has been extended downward from 97 to 30 km (10 mb) and it includes the physical and chemical processes appropriate for the mesosphere and upper stratosphere. The first simulation used Rayleigh friction to represent gravity wave drag in the middle atmosphere and although it was able to close the mesospheric jets it severely damped the diurnal tide. Reduced Rayleigh friction allowed the tide to penetrate to thermospheric heights but did not close the jets. A gravity wave parameterization developed by Fritts and Lu (1993) allows both features to exist simultaneously with the structure of tides and mean flow dependent upon the strength of the gravity wave source. The model calculates a changing dynamic structure with the mean flow and diurnal tide dominant in the mesosphere, the in-situ generated semi-diurnal tide dominating the lower thermosphere and an in-situ generated diurnal tide in the upper thermosphere. The results also show considerable interaction between dynamics and composition, especially atomic oxygen between 85 and 120 km.

Roble, R. G.↗

NASA NTRS2014

Shockwave Consolidation of Nanostructured Thermoelectric Materials

Nanotechnology based thermoelectric materials are considered attractive for developing highly efficient thermoelectric devices. Nano-structured thermoelectric materials are predicted to offer higher ZT over bulk materials by reducing thermal conductivity and increasing electrical conductivity. Consolidation of nano-structured powders into dense materials without losing nanostructure is essential towards practical device development. Using the gas atomization process, amorphous nano-structured powders were produced. Shockwave consolidation is accomplished by surrounding the nanopowder-containing tube with explosives and then detonating. The resulting shock wave causes rapid fusing of the powders without the melt and subsequent grain growth. We have been successful in generating consolidated nano-structured bismuth telluride alloy powders by using the shockwave technique. Using these consolidated materials, several types of thermoelectric power generating devices have been developed. Shockwave consolidation is anticipated to generate large quantities of nanostructred materials expeditiously and cost effectively. In this paper, the technique of shockwave consolidation will be presented followed by Seebeck Coefficient and thermal conductivity measurements of consolidated materials. Preliminary results indicate a substantial increase in electrical conductivity due to shockwave consolidation technique.

Prasad, Narasimha S.↗

NASA NTRS1987

Structure-property relationships in semiconductor alloys

It is presently noted that the atomic distribution of constituents in semiconductor alloys is never truly random, since there are always interactions giving rise to correlations whose degree and character depend on which interactions are dominant, as well as on the growth conditions. Although most of the interactions that can be expected to generate correlations have been identified, the fact that not all have been thus far treated exhaustively leaves several details unclear. A characterization of the primary effects in general terms is accordingly achieved.

Sher, A.↗

NASA NTRS2010

Degradation of Spacecraft Materials in the Space Environment

When we think of space, we typically think of a vacuum containing very little matter that lies between the Earth and other planetary and stellar bodies. However, the space above Earth's breathable atmosphere and beyond contains many things that make designing durable spacecraft a challenge. Depending on where the spacecraft is flyng, it may encounter atomic oxygen, ultraviolet and other forms of radiation, charged particles, micrormeteoroids and debris, and temperature extremes. These environments on their own and in combination can cause degradation and failure of polymers, composites, paints and other materials used on the exterior of spacecraft for thermal control, structure, and power generation. This article briefly discusses and gives examples of some of the degradation experienced on spacecraft and night experiments as a result of the space environment and the use of ground and space data to predict durability.

Miller, Sharon K. R.↗

NASA NTRSDate not supplied

Mixed-Domain Charge Transport in S-Se Alloys as a Li-S Battery Cathode Material

Lithium-sulfur batteries are emerging candidate systems for the next-generation long-range electric aircraft application owing to their potential to deliver high energy density per weight. Their cathodes are to be made primarily with sulfur, but sulfur by itself has much too low electron conductivity to serve as a useful cathode. An idea that has been suggested to overcome this bottleneck is to alloy sulfur with selenium in the hope that electron mobility, which is thought to improve charge transport at some expense of increased weight and reduced energy density. However, understanding of these alloy structures and their transport mechanism is insufficient, and electron mobility at varying degrees of selenium content is not well charted, which are critical for determining the optimum selenium content and testing whether this strategy is generally feasible. The difficulty of computationally characterizing these alloy systems is rooted in the structure. The structures of both sulfur and selenium exhibit eight-atom rings that pack together in various orientations to form their respective crystals. For one, because these crystals (and presumably their alloys as well) feature multiple polymorphs such that their structural coherence is rather unclear. Secondly, these are also relatively large systems (32 atoms per cell) with low-symmetry, which complicate computation both in terms of accuracy and efficiency. Thirdly, such semi-molecular, semi-crystalline structures lead to a combination of band-transport characteristics and hopping-transport characteristics, each of which is a domain with its own physics and set of computational, theoretical challenges. In addition, there is a general dearth of experimental transport data for sulfur-selenium alloys. In this study, we make a comprehensive attempt to tackle this problem using a wide array of first-principles methods. We generate special quasirandom structures to simulate alloy structures, and compute their first-principles Raman spectra for comparison with experimental data to ensure their structural soundness. We then proceed to use recently developed, state-of-the-art tool (AMSET) in order to efficiently compute electronic mobilities under band transport of pure sulfur, pure selenium, as well as their alloys of various compositions at a reasonable accuracy. We then sample numerous dimer configurations of nearest-neighbor eight-atom-ring-pairs and compute electronic hopping rates between them, which yields hopping mobility. A combination of these efforts lead to a general mapping of electron transport behaviors throughout the alloy range. Preliminary results show that introduction of selenium into sulfur initially damages electron mobility due to disorder but eventually improves it beyond that of pure sulfur with additional selenium content, ultimately peaking at the pure-selenium limit. Band transport dominates for holes in sulfur and electrons in selenium, but in all other cases, hopping transport is dominant. Ongoing efforts include determination of charge concentration and conductivity, as well as performing multiphysics modeling to determine the optimum selenium content for best tradeoff between conductivity and energy density for aircraft range.

Junsoo Park↗

NASA NTRS1987

Development of a thermal control coating for space suits

Past space suits and the current Shuttle suit, which are constructed primarily from fabric, use the Integrated Thermal and Micrometeoroid Garment, which insulates the astronaut from his environment. The new generation of hard suits affords designers the opportunity to incorporate thermal control into the suit structure. Environmental influence on the suit temperature and heat flux can then be minimized with a high reflectance coating. Candidate coatings have been identified and ranked on the basis of thermophysical properties; wear, corrosion and atomic oxygen degradation resistance; and coating process and cost. Laboratory determination of properties, thermal cycling and wear resistance tests are underway to identify the optimum coating. A computer model is being developed to evaluate various environmental configurations. Preliminary results are presented here.

Squire, Bernadette↗

NASA NTRS1988

Symmetry and equivalence restrictions in electronic structure calculations

A simple method for obtaining MCSCF orbitals and CI natural orbitals adapted to degenerate point groups, with full symmetry and equivalnece restrictions, is described. Among several advantages accruing from this method are the ability to perform atomic SCF calculations on states for which the SCF energy expression cannot be written in terms of Coulomb and exchange integrals over real orbitals, and the generation of symmetry-adapted atomic natural orbitals for use in a recently proposed method for basis set contraction.

Bauschlicher, Charles W., Jr.↗

NASA NTRS2023

Finding the magnetopause location using soft X-ray observations and a statistical inverse method

Variability in the location and shape of the dayside magnetopause is attributed to magnetic reconnection, a fundamental process that enables the transfer of mass, energy, and momentum from the solar wind into the magnetosphere. The spatial and temporal properties of the magnetopause, under varying solar and magnetospheric conditions, remain largely unknown because empirical studies using in-situ observations are challenging to interpret. Global wide field-of-view (FOV) imaging is the only means to simultaneously observe the spatial distribution of the plasma properties over the vast dayside magnetospheric region and, subsequently, quantify the energy transport from the interplanetary medium into the terrestrial magnetosphere. Two upcoming missions, ESA/CAS SMILE and NASA’s LEXI will provide wide-field imagery of the dayside magnetosheath in soft X-rays, an emission generated by charge exchange interactions between high charge-state heavy ions of solar wind origin and exospheric neutral atoms. High-cadence two-dimensional observations of the magnetosheath will allow the estimation of dynamic properties of its inner boundary, the magnetopause, and enable studies of its response to changes in the solar wind dynamic pressure and interplanetary magnetic field orientation. This work introduces a statistically-based estimation approach based on inverse theory to estimate the spatial distribution of magnetosheath soft X-ray emissivities and, with this, identify the location of the magnetopause over the Sun−Earth line. To do so, we simulate the magnetosheath structure using the MHD-based OpenGGCM model and generate synthetic soft X-ray images using LEXI’s orbit and attitude information. Our results show that 3-D estimations using the described statistically-based technique are robust against Poisson-distributed shot noise inherent to soft X-ray images. Also, our proposed methodology shows that the accuracy of both three-dimensional (3-D) estimation and the magnetopause standoff distance calculation highly depends on the observational point.

Gonzalo Cucho-Padin↗

NASA NTRS2004

NASA Tech Briefs, July 2004

Topics: Optoelectronic Sensor System for Guidance in Docking; Hybrid Piezoelectric/Fiber-Optic Sensor Sheets; Multisensor Arrays for Greater Reliability and Accuracy; Integrated-Optic Oxygen Sensors; Ka-Band Autonomous Formation Flying Sensor; CMOS VLSI Active-Pixel Sensor for Tracking; Lightweight, Self-Deploying Foam Antenna Structures; Electrically Small Microstrip Quarter-Wave Monopole Antennas; A 2-to-28-MHz Phase-Locked Loop; Portable Electromyograph; Open-Source Software for Modeling of Nanoelectronic Devices; Software for Generating Strip Maps from SAR Data; Calibration Software for use with Jurassicprok; Software for Probabilistic Risk Reduction; Software Processes SAR Motion-Measurement Data; Improved Method of Purifying Carbon Nanotubes; Patterned Growth of Carbon Nanotubes or Nanofibers; Lightweight, Rack-Mountable Composite Cold Plate/Shelves; SiC-Based Miniature High-Temperature Cantilever Anemometer; Inlet Housing for a Partial-Admission Turbine; Lightweight Thermoformed Structural Components and Optics; Growing High-Quality InAs Quantum Dots for Infrared Lasers; Selected Papers on Protoplanetary Disks; Module for Oxygenating Water without Generating Bubbles; Coastal Research Imaging Spectrometer; Rapid Switching and Modulation by use of Coupled VCSELs; Laser-Induced-Fluorescence Photogrammetry and Videogrammetry; Laboratory Apparatus Generates Dual-Species Cold Atomic Beam; Laser Ablation of Materials for Propulsion of Spacecraft; Small Active Radiation Monitor; Hybrid Image-Plane/Stereo Manipulation; Partitioning a Gridded Rectangle into Smaller Rectangles; Digital Radar-Signal Processors Implemented in FPGAs; Part 1 of a Computational Study of a Drop-Laden Mixing Layer; and Some Improvements in Signal-Conditioning Circuits.

Source record↗

NASA NTRS1971

Stabilities of nitrogen containing heterocyclic radicals and geometrical influences on non-radiative processes in organic molecules

Theoretical and experimental work on generating radicals by removal of a hydrogen atom from pyrrole, imidazole, indole, and carbazole is reported. Photophysical studies on indolizine and related aza-derivatives show that materials having large S2-S1 energy gaps might exhibit upper state fluorescence. Photodecomposition quantum yields of a series of sterically hindered p-aminobenzene diazonium cations in water were found structurally and wavelength dependent and unquenched in aqueous sodium bromide solutions. Photodecomposition of diazonium materials did not produce a metastable species with a longer lifetime than 1 msec.

Evleth, E. M.↗

NASA NTRS1977

Remote sensing exploration for metallic mineral resources in central Baja California

Remote sensor data (primarily LANDSAT) was analyzed by photogeologic and computer-assisted enhancement techniques to evaluate the metallic mineral potential of Baja California. Overlays were prepared at 1:1,000,000 and 1:500,000 and included known geologic relationships and mineral occurrences, lineament, drainage and structural patterns, tonal anomalies, and enhancement results. Computer-assisted enhancement and classification of the test sites was performed using the IMAGE 100 system to identify subtle tonal anomalies thought related to mineralization using known sites as analysis guides. Mineral potential maps of Baja California were generated from these analyses and the ten highest priority targets visited. Preliminary assay results (atomic absorption analysis) for the samples recovered showed moderate to high geochemical anomalies for Copper (10 of 12 samples), Zinc (3 of 12 samples) and Lead (4 of 12 samples).

Baker, R. N.↗

NASA NTRS1996

Mechanism of unassisted ion transport across membrane bilayers

To establish how charged species move from water to the nonpolar membrane interior and to determine the energetic and structural effects accompanying this process, we performed molecular dynamics simulations of the transport of Na+ and Cl- across a lipid bilayer located between two water lamellae. The total length of molecular dynamics trajectories generated for each ion was 10 ns. Our simulations demonstrate that permeation of ions into the membrane is accompanied by the formation of deep, asymmetric thinning defects in the bilayer, whereby polar lipid head groups and water penetrate the nonpolar membrane interior. Once the ion crosses the midplane of the bilayer the deformation "switches sides"; the initial defect slowly relaxes, and a defect forms in the outgoing side of the bilayer. As a result, the ion remains well solvated during the process; the total number of oxygen atoms from water and lipid head groups in the first solvation shell remains constant. A similar membrane deformation is formed when the ion is instantaneously inserted into the interior of the bilayer. The formation of defects considerably lowers the free energy barrier to transfer of the ion across the bilayer and, consequently, increases the permeabilities of the membrane to ions, compared to the rigid, planar structure, by approximately 14 orders of magnitude. Our results have implications for drug delivery using liposomes and peptide insertion into membranes.

NASA Discipline Exobiology↗

NASA NTRS1980

XPS studies of structure-induced radiation effects at the Si/SiO2 interface

The interfacial structures of radiation hard and soft oxides grown by dry and wet processes on silicon substrates have been examined by high-resolution X-ray photoelectron spectroscopy. It is found that the primary difference in the local atomic structure at the Si/SiO2 interface is the significantly higher concentration of strained 120 deg SiO2 bonds and SiO interfacial species in soft samples. Results of in situ radiation damage experiments using low energy electrons (0-20 eV) are reported which correlate with the presence of a strained layer of SiO2 (20 A) at the interface. The results are interpreted in terms of a structural model for hole and electron trap generation by ionizing radiation.

Grunthaner, F. J.↗

NASA NTRS2016

An Overview of Spray Modeling With OpenNCC and its Application to Emissions Predictions of a LDI Combustor at High Pressure

The open national combustion code (Open- NCC) is developed with the aim of advancing the current multi-dimensional computational tools used in the design of advanced technology combustors. In this paper we provide an overview of the spray module, LSPRAY-V, developed as a part of this effort. The spray solver is mainly designed to predict the flow, thermal, and transport properties of a rapidly evaporating multi-component liquid spray. The modeling approach is applicable over a wide-range of evaporating conditions (normal, superheat, and supercritical). The modeling approach is based on several well-established atomization, vaporization, and wall/droplet impingement models. It facilitates large-scale combustor computations through the use of massively parallel computers with the ability to perform the computations on either structured & unstructured grids. The spray module has a multi-liquid and multi-injector capability, and can be used in the calculation of both steady and unsteady computations. We conclude the paper by providing the results for a reacting spray generated by a single injector element with 600 axially swept swirler vanes. It is a configuration based on the next-generation lean-direct injection (LDI) combustor concept. The results include comparisons for both combustor exit temperature and EINOX at three different fuel/air ratios.

spray modeling↗

NASA NTRS2002

Genetic Optimization of a Tensegrity Structure

Marshall Space Flight Center (MSFC) is charged with developing advanced technologies for space telescopes. The next generation of space optics will be very large and lightweight. Tensegrity structures are built of compressive members (bars), and tensile members (strings). For most materials, the tensile strength of a longitudinal member is larger than its buckling strength; therefore a large stiffness to mass ratio can be achieved by increasing the use of tensile members. Tensegrities are the epitome of lightweight structures, since they take advantage of the larger tensile strength of materials. The compressive members of tensegrity structures are disjoint allowing compact storage of the structure. The structure has the potential to eliminate the requirement for assembly by man in space; it can be deployed by adjustments in its cable tension. A tensegrity structure can be more reliably modeled since none of the individual members experience bending moments. (Members that experience deformation in more than one dimension are much harder to model.) Structures that can be more precisely modeled can be more precisely controlled. Furthermore, an astoundingly wide variety of natural systems, including carbon atoms, water molecules, proteins, viruses, cells, tissues and even human and other living creatures are tensegrity structures. Through the process of evolution, nature continually improves the design of living creatures for the environment they live in. Since tensegrities are nature's structure of choice, it is conceivable that they have other benefits we are unaware of. A. Keane and S. Brown designed a satellite boom truss system with an enhanced vibration performance. They started with a standard truss system, then used a genetic algorithm to alter the design, while optimizing the vibration performance. An improvement of over 20,000% in frequency-averaged energy levels was obtained using this approach. In this report an introduction to tensegrity structures is given, along with a description of how to generate the nodal coordinates and connectivity of a multiple stage cylindrical tensegrity structure. A description of how finite elements can be used to develop a stiffness and mass matrix so that the modes of vibration can be determined from the eigenvalue problem is shown. A brief description of a micro genetic algorithm is then presented.

Jaime R. Taylor↗

NASA NTRS1998

Ground Based Program for the Physical Analysis of Macromolecular Crystal Growth

During the past year we have focused on application of in situ Atomic Force Microscopy (AFM) for studies of the growth mechanisms and kinetics of crystallization for different macromolecular systems. Mechanisms of macrostep formation and their decay, which are important in understanding of defect formation, were studied on the surfaces of thaumatin, catalase, canavalin and lysozyme crystals. Experiments revealed that step bunching on crystalline surfaces occurred either due to two- or three-dimensional nucleation on the terraces of vicinal slopes or as a result of uneven step generation by complex dislocation sources. No step bunching arising from interaction of individual steps in the course of the experiment was observed. The molecular structure of the growth steps for thaumatin and lipase crystals were deduced. It was further shown that growth step advance occurs by incorporation of single protein molecules. In singular directions growth steps move by one-dimensional nucleation on step edges followed by lateral growth. One-dimensional nuclei have different sizes, less then a single unit cell, varying for different directions of step movement. There is no roughness due to thermal fluctuations, and each protein molecule which incorporated into the step remained. Growth kinetics for catalase crystals was investigated over wide supersaturation ranges. Strong directional kinetic anisotropy in the tangential step growth rates in different directions was seen. The influence of impurities on growth kinetics and cessation of macromolecular crystals was studied. Thus, for catalase, in addition to pronounced impurity effects on the kinetics of crystallization, we were also able to directly observe adsorption of some impurities. At low supersaturation we repeatedly observed filaments which formed from impurity molecules sedimenting on the surfaces. Similar filaments were observed on the surfaces of thaumatin, canavalin and STMV crystals as well, but the frequency was low compared with catalase crystallization. Cessation of growth of xylanase and lysozyme crystals was also observed and appeared to be a consequence of the formation of dense impurity adsorption layers. Attachment: "An in situ AFM investigation of catalase crystallization", "Atomic force microscopy studies of living cells: visualization of motility, division, aggregation, transformation, and apoptosis", AFM studies on mechanisms of nucleation and growth of macromolecular crystals", and "In situ atomic force microscopy studies of surface morphology, growth kinetics, defect structure and dissolution in macromolecular crystallization".

Malkin, Alexander J.↗

NASA NTRS2017

Flow Structure Comparison for Two 7-Point LDI Configurations

This paper presents a comparison primarily of the cold flow 2-D velocity profiles; and describes flame tube combusting flow operability for a 7-point Lean Direct Injector (LDI). This circular LDI array consists of a center element surrounded by six outer elements spaced 60 degrees apart; the spacing between all adjacent elements is the same. Each element consists of a simplex atomizer that injects at the throat of a converging-diverging venturi, and an axial swirler upstream of the venturi throat to generate swirl. The two configurations were: 1) one which consists of all 60 deg co-swirling axial air swirlers, and; 2) one configuration which uses a 60 deg swirler in the center, surrounded by counter-swirling 45 deg swirlers. Testing was done at 5- bar and at an inlet temperature of 700K. Two air reference velocities were considered in the cold flow measurements. The 2D velocity profiles were determined using particle image velocimetry. Results indicate the configuration using all 60 deg swirlers generates a field that moderates to a more uniform distribution at a shorter distance downstream and is more easily operable than the second configuration, which produces recirculation regions at the edges of the outer 45 deg swirlers, and results in a more stratified velocity field at any given axial location.

velocity↗

NASA NTRS1988

The spectroscopic observation of the CH radical in its a4Sigma(-) state

The first spectroscopic observation of CH in the a 4Sigma(0-) state are reported. The molecule was generated in a discharge-flow system in the reaction betweeen fluorine atoms and methane or between oxygen atoms and acetylene at a total pressure of about 1 Torr. Several resonances associated with the N = 1 - 0 transitions of 4Sigma(-) CH were observed at three separate laser wavelengths, while those for the N = 2 - 1 transition were observed at two wavelengths. Each observed Zeeman component consists of a well-split doublet arising from proton hyperfine structure. The reasons for assigning the observations to CH in its a 4Sigma(-) state are discussed.

Nelis, Thomas↗