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NASA NTRS2006

Computer Modeling of Protocellular Functions: Peptide Insertion in Membranes

Lipid vesicles became the precursors to protocells by acquiring the capabilities needed to survive and reproduce. These include transport of ions, nutrients and waste products across cell walls and capture of energy and its conversion into a chemically usable form. In modem organisms these functions are carried out by membrane-bound proteins (about 30% of the genome codes for this kind of proteins). A number of properties of alpha-helical peptides suggest that their associations are excellent candidates for protobiological precursors of proteins. In particular, some simple a-helical peptides can aggregate spontaneously and form functional channels. This process can be described conceptually by a three-step thermodynamic cycle: 1 - folding of helices at the water-membrane interface, 2 - helix insertion into the lipid bilayer and 3 - specific interactions of these helices that result in functional tertiary structures. Although a crucial step, helix insertion has not been adequately studied because of the insolubility and aggregation of hydrophobic peptides. In this work, we use computer simulation methods (Molecular Dynamics) to characterize the energetics of helix insertion and we discuss its importance in an evolutionary context. Specifically, helices could self-assemble only if their interactions were sufficiently strong to compensate the unfavorable Free Energy of insertion of individual helices into membranes, providing a selection mechanism for protobiological evolution.

Rodriquez-Gomez, D.↗

NASA NTRS2006

Simulink-Based Simulation Architecture for Evaluating Controls for Aerospace Vehicles (SAREC-ASV)

The Simulation Architecture for Evaluating Controls for Aerospace Vehicles (SAREC-ASV) is a Simulink-based approach to providing an engineering quality desktop simulation capability for finding trim solutions, extracting linear models for vehicle analysis and control law development, and generating open-loop and closed-loop time history responses for control system evaluation. It represents a useful level of maturity rather than a finished product. The layout is hierarchical and supports concurrent component development and validation, with support from the Concurrent Versions System (CVS) software management tool. Real Time Workshop (RTW) is used to generate pre-compiled code for substantial component modules, and templates permit switching seamlessly between original Simulink and code compiled for various platforms. Two previous limitations are addressed. Turn around time for incorporating tabular model components was improved through auto-generation of required Simulink diagrams based on data received in XML format. The layout was modified to exploit a Simulink "compile once, evaluate multiple times" capability for zero elapsed time for use in trimming and linearizing. Trim is achieved through a Graphical User Interface (GUI) with a narrow, script definable interface to the vehicle model which facilitates incorporating new models.

Christhilf, David m.↗

NASA NTRS2007

The Use of the BAT Instrument on SWIFT for the Detection of Prompt Gamma-Ray Emission from Novae

Gamma-rays are expected to be emitted during and immediately following a nova explosion due to the annihilation of positrons emitted by freshly produced short-lived radioactive isotopes. The expected gammaray emission is relatively short-lived and as nova explosions are unpredictable, the best chance of detecting the gamma-rays is with n wide field instrument. At the time when the flux is expected to rcach its peak, most of the gamma-ray production is at depths such that the photons suffer several Compton scatterings before escaping, degrading their energy down to the hard X-ray band (10s of keV). SWIFT/BAT is a very wide field coded mask instrument working in the energy band 14-190 keV and so is very well suited to the search for such gamma-rays. A retrospective search is being made in the BAT data for evidence for gamma-ray emission from the direction of novae at around the time of their explosion. So far the only positive detection is of RS Ophiuchi and in this case the emission is probably due to shock heating.

Skinner, Gerry↗

NASA NTRSDate not supplied

Fusing Surface BRDF from Geostationary and Polar-Orbiting Satellite Sensors

The bi-directional reflectance distribution function (BRDF) describes the fundamental optical property of a surface and therefore has been retrieved from both geostationary (GEO) and polar-orbiting (or Low-Earth Orbit, LEO) satellite observations. In theory, although GEO and LEO observations feature different illumination-view geometries, they reflect the same physical property and the retrieved BRDF should be mutually consistent. This fact also suggests that we may derive a better BRDF product by synergistically fusing the GEO and LEO datasets. Here we demonstrate the idea by fusing Terra/Aqua MODIS and GOES16/17 ABI surface BRDF with the Multi-Angle Implementation of Atmospheric Correction (MAIAC) algorithm. Our processing is implemented in two steps. First, we compile and project both MODIS and ABI data on the same GeoNEX common grid, and then use the MODIS MAIAC BRDF (MCD19A3) as the prior information to perform atmospheric correction of ABI data and retrieve surface BRDF with the ABI MAIAC code. In the second step, we run the MAIAC code in the forward mode to simulate MODIS and ABI TOA radiances from the jointly retrieved surface BRDF and the corresponding illumination-view geometries. By comparing the simulated TOA radiances with corresponding observations (e.g., MOD02 and ABI05), we can quantitatively evaluate whether the jointly retrieved ABI surface BRDF improves over the separately retrieved MODIS and ABI BRDF products. We expect that the jointly retrieved BRDF data are more robust than the standard products and can help us reduce uncertainties in higher-level earth observation satellite products.

Geostationary satellite↗

NASA NTRS1977

Stability analysis of a reinforced carbon carbon shell

This paper presents the development of a stability analysis for the nose cap of the NASA Space Shuttle Orbiter. Stability is evaluated by the differential stiffness analysis of the NASTRAN finite-element computer code, addressing those nonstandard characteristics in the nose cap such as nonuniform curvature, asymmetrical and nonuniform loads, support fixity, and various combinations of membrane and bending stresses. A full-sized nose cap, thinner than production, was statically tested and stability analyzed. The failing load level correlated to within 30%. The region and mode of buckling that occurred during test was accurately predicted by analysis. The criterion for predicting instability is based on the behavior of the nonlinear deflections. The deflections are nonlinear elastic in that the stresses are well within the elastic range of the material, but the geometry-load relationship produces nonlinear deflections. The load-deflection relationship is well defined by differential stiffness analysis up to the zero-slope portion of the curve, the point of neutral stability or where the shell 'snaps through' just prior to general instability.

Agan, W. E.↗

NASA NTRS1984

Tailoring a software production environment for a large project

A software production environment was constructed to meet the specific goals of a particular large programming project. These goals, the specific solutions as implemented, and the experiences on a project of over 100,000 lines of source code are discussed. The base development environment for this project was an ordinary PWB Unix (tm) system. Several important aspects of the development process required support not available in the existing tool set.

Levine, D. R.↗

NASA NTRS1985

Calculation and use of an environment's characteristic software metric set

Since both cost/quality and production environments differ, this study presents an approach for customizing a characteristic set of software metrics to an environment. The approach is applied in the Software Engineering Laboratory (SEL), a NASA Goddard production environment, to 49 candidate process and product metrics of 652 modules from six (51,000 to 112,000 lines) projects. For this particular environment, the method yielded the characteristic metric set (source lines, fault correction effort per executable statement, design effort, code effort, number of I/O parameters, number of versions). The uses examined for a characteristic metric set include forecasting the effort for development, modification, and fault correction of modules based on historical data.

Basili, Victor R.↗

NASA NTRS1999

Effect of a Nonplanar Melt-Solid Interface on Lateral Compositional Distribution during Unidirectional Solidification of a Binary Alloy with a Constant Growth Velocity V: Theory - Part 1

Infrared detector materials, such as Hg(1-x)Cd(x)Te, Hg(1-x)Zn(x)Te have energy gaps almost linearly proportional to its composition. Due to the wide separation of liquidus and solidus curves of their phase diagram, there are compositional segregations in both of axial and radial directions of these crystals grown in the Bridgman system unidirectionally with constant growth rate. It is important to understand the mechanisms which affect lateral segregation such that large uniform radial composition crystal is possible. Following Coriell, etc's treatment, we have developed a theory to study the effect of a curved melt-solid interface shape on the lateral composition distribution. The system is considered to be cylindrical system with azimuthal symmetric with a curved melt-solid interface shape which can be expressed as a linear combination of a series of Bessell's functions. The results show that melt-solid interface shape has a dominate effect on lateral composition distribution of these systems. For small values of b, the solute concentration at the melt-solid interface scales linearly with interface shape with a proportional constant of the product of b and (1 - k), where b = VR/D, with V as growth velocity, R as sample radius, D as diffusion constant and k as distribution constant. A detailed theory will be presented. A computer code has been developed and simulations have been performed and compared with experimental results. These will be published in another paper.

Wang, Jai-Ching↗

NASA NTRS1999

Java PathFinder: A Translator From Java to Promela

JAVA PATHFINDER, JPF, is a prototype translator from JAVA to PROMELA, the modeling language of the SPIN model checker. JPF is a product of a major effort by the Automated Software Engineering group at NASA Ames to make model checking technology part of the software process. Experience has shown that severe bugs can be found in final code using this technique, and that automated translation from a programming language to a modeling language like PROMELA can help reducing the effort required.

Havelund, Klaus↗

NASA NTRS2000

BOREAS TE-19 Ecosystem Carbon Balance Model

The BOREAS TE-19 team developed a model called the Spruce and Moss Model (SPAM) designed to simulate the daily carbon balance of a black spruce/moss boreal forest ecosystem. It is driven by daily weather conditions, and consists of four components: (1) soil climate, (2) tree photosynthesis and respiration, (3) moss photosynthesis and respiration, and (4) litter decomposition and associated heterotrophic respiration. The model simulates tree gross and net photosynthesis, wood respiration, live root respiration, moss gross and net photosynthesis, and heterotrophic respiration (decomposition of root litter, young needle and moss litter, and humus). These values can be combined to generate predictions of total site net ecosystem exchange of carbon (NEE), total soil dark respiration (live roots + heterotrophs + live moss), spruce and moss net productivity, and net carbon accumulation in the soil. To date, simulations have been of the BOREAS NSA-OBS and SSA-OBS tower sites, from 1968-95 (except 1990-93). The files include source code and sample input and output files in ASCII format. The data files are available on a CD-ROM (see document number 20010000884), or from the Oak Ridge National Laboratory (ORNL) Distributed Activity Archive Center (DAAC).

Hall, Forrest G.↗

NASA NTRS2003

Structure, Function, Self-Assembly and Origin of Simple Membrane Proteins

Integral membrane proteins perform such essential cellular functions as transport of ions, nutrients and waste products across cell walls, transduction of environmental signals, regulation of cell fusion, recognition of other cells, energy capture and its conversion into high-energy compounds. In fact, 30-40% of genes in modem organisms codes for membrane proteins. Although contemporary membrane proteins or their functional assemblies can be quite complex, their transmembrane fragments are usually remarkably simple. The most common structural motif for these fragments is a bundle of alpha-helices, but occasionally it could be a beta-barrel. In a series of molecular dynamics computer simulations we investigated self-organizing properties of simple membrane proteins based on these structural motifs. Specifically, we studied folding and insertion into membranes of short, nonpolar or amphiphatic peptides. We also investigated glycophorin A, a peptide that forms sequence-specific dimers, and a transmembrane aggregate of four identical alpha-helices that forms an efficient and selective voltage-gated proton channel was investigated. Many peptides are attracted to water-membrane interfaces. Once at the interface, nonpolar peptides spontaneously fold to a-helices. Whenever the sequence permits, peptides that contain both polar and nonpolar amino also adopt helical structures, in which polar and nonpolar amino acid side chains are immersed in water and membrane, respectively. Specific identity of side chains is less important. Helical peptides at the interface could insert into the membrane and adopt a transmembrane conformation. However, insertion of a single helix is unfavorable because polar groups in the peptide become completely dehydrated upon insertion. The unfavorable free energy of insertion can be regained by spontaneous association of peptides in the membrane. The first step in this process is the formation of dimers, although the most common are aggregates of 4-7 helices. The helices could arrange themselves such that they formed pores capable of transporting ions and small molecules across membranes. Stability of transmembrane aggregates of simple proteins is often only marginal and, therefore, it can be regulated by environmental signals or small sequence modifications in the region of interhelical interactions. A key step in the earliest evolution of membrane proteins was the emergence of selectivity for specific substrates. Many channels could become selective if one or only a few properly chosen amino acids are properly placed along the channel, acting as filters or gates. This is a convenient evolutionary solution because it does not require imposing conditions on the whole sequence.

Pohorille, Andrew↗

NASA NTRS1995

Affect of Brush Seals on Wave Rotor Performance Assessed

The NASA Lewis Research Center's experimental and theoretical research shows that wave rotor topping can significantly enhance gas turbine engine performance levels. Engine-specific fuel consumption and specific power are potentially enhanced by 15 and 20 percent, respectively, in small (e.g., 400 to 700 hp) and intermediate (e.g., 3000 to 5000 hp) turboshaft engines. Furthermore, there is potential for a 3- to 6-percent specific fuel consumption enhancement in large (e.g., 80,000 to 100,000 lbf) turbofan engines. This wave-rotor-enhanced engine performance is accomplished within current material-limited temperature constraints. The completed first phase of experimental testing involved a three-port wave rotor cycle in which medium total pressure inlet air was divided into two outlet streams, one of higher total pressure and one of lower total pressure. The experiment successfully provided the data needed to characterize viscous, partial admission, and leakage loss mechanisms. Statistical analysis indicated that wave rotor product efficiency decreases linearly with the rotor to end-wall gap, the square of the friction factor, and the square of the passage of nondimensional opening time. Brush seals were installed to further minimize rotor passage-to-cavity leakage. The graph shows the effect of brush seals on wave rotor product efficiency. For the second-phase experiment, which involves a four-port wave rotor cycle in which heat is added to the Brayton cycle in an external burner, a one-dimensional design/analysis code is used in conjunction with a wave rotor performance optimization scheme and a two-dimensional Navier-Stokes code. The purpose of the four-port experiment is to demonstrate and validate the numerically predicted four-port pressure ratio versus temperature ratio at pressures and temperatures lower than those that would be encountered in a future wave rotor/demonstrator engine test. Lewis and the Allison Engine Company are collaborating to investigate wave rotor integration in an existing turboshaft engine. Recent theoretical efforts include simulating wave rotor dynamics (e.g., startup and load-change transient analysis), modifying the one-dimensional wave rotor code to simulate combustion internal to the wave rotor, and developing an analytical wave rotor design/analysis tool based on macroscopic balances for parametric wave rotor/engine analysis.

Source record↗

NASA NTRS2005

National Combustion Code Used To Study the Hydrogen Injector Design for Gas Turbines

Hydrogen, in the gas state, has been proposed to replace Jet-A (the fuel used for commercial jet engines) as a fuel for gas turbine combustion. For the combustion of hydrogen and oxygen only, water is the only product and the main greenhouse gas, carbon dioxide, is not produced. This is an obvious benefit of using hydrogen as a fuel. The situation is not as simple when air replaces oxygen in the combustion process. (Air is mainly a mixture of oxygen, nitrogen, and argon. Other components comprise a very small part of air and will not be mentioned.) At the high temperatures found in the combustion process, oxygen reacts with nitrogen, and this produces nitrogen oxide compounds, or NOx--the main component of atmospheric smog. The production of NOx depends mainly on two variables: the temperature at which combustion occurs, and the length of time that the products of combustion stay, or reside, in the combustor. Starting from a lean (excess air) air-to-fuel ratio, the goal of this research was to minimize hot zones caused by incomplete premixing and to keep the residence time short while producing a stable flame. The minimization of these two parameters will result in low- NOx hydrogen combustion.

Iannetti, Anthony C.↗

NASA NTRS1987

Radiation damage of gallium arsenide production cells

High efficiency liquid phase epitaxy (LPE) gallium arsenide cells were irradiated with 1 Mev electrons up to fluences of 1 times 10 to the 16th power cm-2. Measurements of spectral response and dark and illuminated I-V data were made at each fluence and then, using computer codes, the experimental data was fitted to gallium arsenide cell models. In this way it was possible to determine the extent of the damage, and hence damage coefficients in both the emitter and base of the cell.

Mardesich, N.↗

NASA NTRS1995

Shielding materials for highly penetrating space radiations

Interplanetary travel involves the transfer from an Earth orbit to a solar orbit. Once outside the Earth's magnetosphere, the major sources of particulate radiation are solar cosmic rays (SCR's) and galactic cosmic rays (GCR's). Intense fluxes of SCR's come from solar flares and consist primarily of protons with energies up to 1 GeV. The GCR consists of a low flux of nuclei with energies up to 10(exp 10) GeV. About 70 percent of the GCR are protons, but a small amount (0.6 percent) are nuclei with atomic numbers greater than 10. High energy charged particles (HZE) interact with matter by transferring energy to atomic electrons in a Coulomb process and by reacting with an atomic nucleus. Energy transferred in the first process increases with the square of the atomic number, so particles with high atomic numbers would be expected to lose large amounts of energy by this process. Nuclear reactions produced by (HZE) particles produce high-energy secondary particles which in turn lose energy to the material. The HZE nuclei are a major concern for radiation protection of humans during interplanetary missions because of the very high specific ionization of both primary and secondary particles. Computer codes have been developed to calculate the deposition of energy by very energetic charged particles in various materials. Calculations show that there is a significant buildup of secondary particles from nuclear fragmentation and Coulomb dissociation processes. A large portion of these particles are neutrons. Since neutrons carry no charge, they only lose energy by collision or reaction with a nucleus. Neutrons with high energies transfer large amounts of energy by inelastic collisions with nuclei. However, as the neutron energy decreases, elastic collisions become much more effective for energy loss. The lighter the nucleus, the greater the fraction of the neutron's kinetic energy that can be lost in an elastic collision. Thus, hydrogen-containing materials such as polymers are most effective in reducing the energy of neutrons. Once neutrons are reduced to very low energies, the probability for undergoing a reaction with a nucleus (the cross section) becomes very high. The product of such a reaction is often radioactive and can involve the release of a significant amount of energy. Thus, it is important to provide protection from low energy neutrons during a long duration space flight. Among the light elements, lithium and boron each have an isotope with a large thermal neutron capture cross section, Li-6 and B-10. However, B-10 is more abundant in the naturally-occurring element than Li-6, has a thermal neutron capture cross section four times that of Li-6, and produces the stable products, He-4 and Li-7 in the interaction while Li-6 produces radioactive tritium (H-3). Thus, boron is the best light-weight material for thermal neutron absorption in spacecraft. The work on this project was focused in two areas: computer design where existing computer codes were used, and in some cases modified, to calculate the propagation and interactions of high energy charged particles through various media, and materials development where boron was incorporated into high performance materials.

Kiefer, Richard L.↗

NASA NTRS1984

Analytical fuel property effects--small combustors

The consequences of using broad-property fuels in both conventional and advanced state-of-the-art small gas turbine combustors are assessed. Eight combustor concepts were selected for initial screening, of these, four final combustor concepts were chosen for further detailed analysis. These included the dual orifice injector baseline combustor (a current production 250-C30 engine combustor) two baseline airblast injected modifications, short and piloted prechamber combustors, and an advanced airblast injected, variable geometry air staged combustor. Final predictions employed the use of the STAC-I computer code. This quasi 2-D model includes real fuel properties, effects of injector type on atomization, detailed droplet dynamics, and multistep chemical kinetics. In general, fuel property effects on various combustor concepts can be classified as chemical or physical in nature. Predictions indicate that fuel chemistry has a significant effect on flame radiation, liner wall temperature, and smoke emission. Fuel physical properties that govern atomization quality and evaporation rates are predicted to affect ignition and lean-blowout limits, combustion efficiency, unburned hydrocarbon, and carbon monoxide emissions.

Sutton, R. D.↗

NASA NTRS1993

Genetic learning in rule-based and neural systems

The design of neural networks and fuzzy systems can involve complex, nonlinear, and ill-conditioned optimization problems. Often, traditional optimization schemes are inadequate or inapplicable for such tasks. Genetic Algorithms (GA's) are a class of optimization procedures whose mechanics are based on those of natural genetics. Mathematical arguments show how GAs bring substantial computational leverage to search problems, without requiring the mathematical characteristics often necessary for traditional optimization schemes (e.g., modality, continuity, availability of derivative information, etc.). GA's have proven effective in a variety of search tasks that arise in neural networks and fuzzy systems. This presentation begins by introducing the mechanism and theoretical underpinnings of GA's. GA's are then related to a class of rule-based machine learning systems called learning classifier systems (LCS's). An LCS implements a low-level production-system that uses a GA as its primary rule discovery mechanism. This presentation illustrates how, despite its rule-based framework, an LCS can be thought of as a competitive neural network. Neural network simulator code for an LCS is presented. In this context, the GA is doing more than optimizing and objective function. It is searching for an ecology of hidden nodes with limited connectivity. The GA attempts to evolve this ecology such that effective neural network performance results. The GA is particularly well adapted to this task, given its naturally-inspired basis. The LCS/neural network analogy extends itself to other, more traditional neural networks. Conclusions to the presentation discuss the implications of using GA's in ecological search problems that arise in neural and fuzzy systems.

Smith, Robert E.↗

NASA NTRS1993

Al-26 production profile and model comparisons in Canyon Diablo

The large preatmospheric size of the Canyon Diablo meteorite, a radius of about 15 m, makes it especially suitable for systematic studies of cosmogenic nuclide production rates of iron objects in a 2 pi geometry. To reconstruct the exposure history of the meteoroid, Heymann et al. investigated several fragments recovered from known geographic locations around the crater for their shock features and cosmogenic nobel gases. They applied the Signer-Nier noble gas production rate model to establish the preatmospheric depth of the specimens in the meteoroid. Cosmic ray exposure ages suggested a multi-episodic irradiation, with 170 or 540 Ma being inferred for most of the samples studied while two anomalous specimens indicated a possible third exposure age at 940 Ma. Be-10 and Cl-36 have been measured in a number of these same samples by accelerator mass spectrometry (AMS), with use being made of the preatmospheric depths determined in Heymann et al. to construct production profiles. The present study extends the cosmogenic radionuclide data to Al-26 and compares the results with both the production rate model of Reedy and Arnold and production rates determined from the cross sections used by the Reedy-Arnold model (for the major nuclear reactions making Al-26) in combination with differential fluxes calculated using the Los Alamos High Energy Transport (LAHET) Code System. Model calculations for Be-10 and Cl-36 have also been obtained.

Michlovich, E.↗