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NASA NTRS2018

Three Stage Cool Flame Droplet Burning Behavior of n-Alkane Droplets at Elevated Pressure Conditions: Hot, Warm and Cool Flame

Transient, isolated n-alkane droplet combustion is simulated at elevated pressure for helium-diluent substituted-air mixtures. We report the presence of unique quasi-steady, three-stage burning behavior of large sphero-symmetric n-alkane droplets at these elevated pressures and helium substituted ambient fractions. Upon initiation of reaction, hot-flame diffusive burning of large droplets is initiated that radiatively extinguishes to establish cool flame burning conditions in nitrogen/oxygen “air” at atmospheric and elevated pressures. However, at elevated pressure and moderate helium substitution for nitrogen ( X He > 20%), the initiated cool flame burning proceeds through two distinct, quasi-steady-state, cool flame burning conditions. The classical “Hot flame ” ( ∼1500 K) radiatively extinguishes into a “Warm flame ” burning mode at a moderate maximum reaction zone temperature ( ∼ 970 K), followed by a transition to a lower temperature ( ∼765 K), quasi-steady “Cool flame ” burning condition. The reaction zone (“flame”) temperatures are associated with distinctly different yields in intermediate reaction products within the reaction zones and surrounding near-field, and the flame-standoff ratios characterizing each burning mode progressively decrease. The presence of all three stages first appears with helium substitution near 20%, and the duration of each stage is observed to be strongly dependent on helium substitutions level between 20–60%. For helium substitution greater than 60%, the hot flame extinction is followed by only the lower temperature cool flame burning mode. In addition to the strong coupling between the diffusive loss of both energy and species and the slowly evolving degenerate branching in the low and negative temperature coefficient (NTC) kinetic regimes, the competition between the low-temperature chain branching and intermediate-temperature chain termination reactions control the “Warm” and “Cool ” flame quasi-steady conditions and transitioning dynamics.

Droplet Combustion↗

NASA NTRS2011

The Effect of Photon Source on Heterogeneous Photocatalytic Oxidation of Ethanol by a Silica-Titania Composite

The objective of this study was to distinguish the effect of photon flux (i.e., photons per unit time reaching a surface) from that of photon energy (i.e., wavelength) of a photon source on the silica-titania composite (STC)-catalyzed degradation of ethanol in the gas phase. Experiments were conducted in a bench-scale annular reactor packed with STC pellets and irradiated with either a UV-A fluorescent black light blue lamp ((gamma)max=365 nm) at its maximum light intensity or a UV-C germicidal lamp ((gamma)max=254 nm) at three levels of light intensity. The STC-catalyzed oxidation of ethanol was found to follow zero-order kinetics with respect to CO2 production, regardless of the photon source. Increased photon flux led to increased EtOH removal, mineralization, and oxidation rate accompanied by lower intermediate concentration in the effluent. The oxidation rate was higher in the reactor irradiated by UV-C than by UV-A (38.4 vs. 31.9 nM/s) at the same photon flux, with similar trends for mineralization (53.9 vs. 43.4%) and reaction quantum efficiency (i.e., photonic efficiency, 63.3 vs. 50.1 nmol CO2 (mu)mol/photons). UV-C irradiation also led to decreased intermediate concentration in the effluent . compared to UV-A irradiation. These results demonstrated that STC-catalyzed oxidation is enhanced by both increased photon flux and photon energy.

Coutts, Janelle L.↗

NASA NTRS1978

Analysis of weak interactions and Eotvos experiments

The intermediate-vector-boson model is preferred over the current-current model as a basis for calculating effects due to weak self-energy. Attention is given to a possible violation of the equivalence principle by weak-interaction effects, and it is noted that effects due to weak self-energy are at least an order of magnitude greater than those due to the weak binding energy for typical nuclei. It is assumed that the weak and electromagnetic energies are independent.

Hsu, J. P.↗

NASA NTRS1996

Atmosphere Models for the Brown Dwarf Gliese 229 B and the Extrasolar Giant Planets

Brown dwarfs inhabit a realm intermediate between the more massive stars and the less massive planets. Their thermal infrared emission is powered by the release of gravitational potential energy as regulated by their atmospheres. Long known only as theoretical constructs. the discovery of the first unimpeachable brown dwarf. Gliese 229 has opened up a new field: the study of brown dwarf atmospheres. The subsequent discoverv of numerous extrasolar giant planets circling nearby stars, further demonstrated the need for a comprehensive modeling effort to understand this new class of jovian atmospheres. Although no spectra are yet available of the new planets, the next generation of groundbased and spacebased telescopes will return such data. Here author report on the effort with Ames collaborator Dr. Christopher McKay to better understand these new atmospheres.

Marley, Mark S.↗

NASA NTRS2003

On the Computation of Space-Time Correlations by Large-Eddy Simulation

Numerical comparisons in decaying isotropic turbulence suggest that there exist discrepancies in time correlations evaluated by DNS and LES using eddy-viscosity-type SGS models. This is consistent with the previous observations in forced isotropic turbulence. Therefore, forcing is not the main cause of the discrepancies. Comparisons among different SGS models in the LES also indicate that the model choice affects the time correlations in the LES. The multi-scale LES method using the dynamic Smagorinsky model on the small scale equation is the most accurate of the all models, the classic Smagorinsky model is the least accurate and the dynamic Smagorinsky model and spectral eddy viscosity model give intermediate results with small differences. The generalized sweeping hypothesis implies that time correlations in decaying isotropic turbulence are mainly determined by the instantaneous energy spectra and sweeping velocities. The analysis based on the sweeping hypothesis explains the discrepancies in our numerical simulations: the LES overpredicts the decorrelation time scales because the sweeping velocities are smaller than the DNS values, and underpredicts the magnitudes of time correlations because the energy spectrum levels are lower than the DNS ones. Since the sweeping velocity is determined by the energy spectra, one concludes that an accurate prediction of the instantaneous energy spectra guarantees the accuracy of time correlations. An analytical expression of sound power spectra based on Lighthill's theory and the quasi-normal closure assumption suggests that the sound power spectra are sensitive to errors in time correlations. Small errors in time correlations can cause significant errors in the sound power spectra, which exhibit a sizable drop at moderate to high frequencies accompanied by a shift of the peaks to lower frequencies. Based on the above analysis, two possible ways to improve the acoustic power spectrum predictions can be considered. The first is to construct better SGS models to improve the LES accuracy for time correlations. The second is to remedy the temporal statistics of the Lighthill stress tensor in order to "recover" the contribution from the unresolved scales in LES to time correlations.

He, Guo-Wei↗

NASA NTRS2005

"Ames Research Center: Linking our Origins to our Future"

Our research traces a path from interstellar materials to inhabited worlds and beyond. We examine how protoplanetary disks evolve and form terrestrial planets, the evolutionary paths of habitable planets, and how external factors (e.g., orbital eccentricity) and internal factors (atmospheric circulation) affect habitability. We trace, spectroscopically and chemically, the evolution of organic molecules from the interstellar medium onto habitable bodies. We examine how membranes might form under prebiotic planetary conditions. We evolve proteins capable of sustaining early metabolism, such as synthesis of biopolymers and transport of ions across membranes. We estimate the frequency of finding a functional prebiotic protein that formed spontaneously. We characterize the formation of diagnostic microbial biosignatures in rock-hosted ecosystems in ophiolite springs as an analog for subsurface life within our solar system, and photosynthetic microbial mats as biota that could be detected on extrasolar planets. We develop quantitative models that simulate energy relationships, biogeochemical cycling, trace gas exchange, and biodiversity. We examine the effects of climate variability on a vegetation-rich biosphere over intermediate time scales, using South American ecosystems as a model. We address natural transport of life beyond its planet of origin, such as on a meteorite, where survivors must withstand radiation, desiccation, and time in transit. We fly organisms and ecosystems in low Earth orbit to test their resistance to space. The Ames E&PO program disseminates these themes to national- and international-scale audiences through partnerships with the California Academy of Sciences, Yellow stone National Park, New York Hall of Science, and several K-14 educational organizations.

DesMarais, David J.↗

NASA NTRS1972

Gaseous hydrogen-induced cracking of Ti-5Al-2.5Sn.

Study of the kinetics of hydrogen-induced cracking in the Ti-5Al-2.5Sn titanium alloy, which has a structure of acicular alpha platelets in a beta matrix. The crack-growth rate at low stress-intensity levels was found to be exponentially dependent on stress intensity but essentially independent of temperature. The crack-growth rate at intermediate stress-intensity levels was found to be independent of stress intensity but dependent on temperature in such a way that crack-growth rate was controlled by a thermally activated mechanism having an activation energy of 5500 cal/mole and varied as the square root of the hydrogen pressure. The crack-growth rate at stress-intensity levels very near the fracture toughness is presumed to be independent of environment. The results are interpreted to suggest that crack growth at high stress intensities is controlled by normal, bulk failure mechanisms such as void coalescence and the like. At intermediate stress-intensity levels the transport of hydrogen to some interaction site along the alpha-beta boundary is the rate-controlling mechanism. The crack-growth behavior at low stress intensities suggests that the hydrogen interacts at this site to produce a strain-induced hydride which, in turn, induces crack growth by restricting plastic flow at the crack tip.

Williams, D. P.↗

NASA NTRS1994

Cubanes: Super explosives and potential pharmaceutical intermediates

The cubane molecule, in which eight carbon atoms are locked in a cubic framework, shows great potential for both military and pharmaceutical applications. Octanitrocubane, with a predicted density of 2.1 g/cc and strain energy of more than 165 kcal/mol, is considered to be the 'super-explosive', while cubane derivatives submitted to the National Institutes of Health for preliminary biological activity screening have displayed promising anti-cancer and anti-HIV activity.

Bashir-Hashemi, A.↗

NASA NTRSDate not supplied

Solid-state battery designed for electric aviation

The demand for higher energy density batteries increases as the demand for portable electronic devices and electric automotive increases, as well as a variety of other applications requiring substantially higher power and energy than attainable with current lithium-ion capabilities which includes the areas of high performance vehicles, military applications, and electric aviation. However, the improvement of energy density is insufficient alone for enabling electric aviation when considering the high flammability and risk of thermal runaway inherent in current state-of-the-art liquid electrolytes. The development of high energy, high power, and safe batteries are required to enable hybrid and fully electric aircraft. Next generation chemistries such as lithium-sulfur provide high theoretical specific energy density suitable for electric aviation without as strict of volumetric requirements observed in the automotive industry. However, due to the phase transition during discharge where sulfur generates a series of soluble intermediate polysulfides, which are lost to the liquid electrolyte, cause detrimental side effects, and severely limit cycle life battery performance is severely reduced. Additionally, the low electrical conductivity of sulfur requires a large amount of inactive carbon dramatically increasing parasitic mass. The dissolution issue make sulfur a desirable candidate to pair with a solid-state electrolyte in order to avoid polysulfide dissolution and shuttling. In addition, inorganic solid-electrolytes have low flammability providing the improved safety required. Combining this chemistry with a solid-state electrolyte provides a path for achieving the energy and safety required for electric aviation. The development of scalable thin solid-state electrolytes paired with lithium-sulfur chemistry will be discussed and how their development will aid in enabling a unique application.

Donald A. Dornbusch↗

NASA NTRS1984

Observational and theoretical studies of the evolving structure of baroclinic waves

Dynamical processes involved in comma cloud formation, and passive tracer evolution in a baroclinic wave are discussed. An analytical solution was obtained demonstrating the complex nongeostrophic flow pattern involved in the redistribution of low level constituents in a finite amplitude baroclinic wave, and in the formation of the typical humidity and cloud distributions in such a wave. Observational and theoretical studies of blocking weather patterns in middle latitude flows were studied. The differences in the energy and enstrophy cascades in blocking and nonblocking situations were shown. It was established that pronounced upscale flow of both of these quantities, from intermediate to planetary scales, occurs during blocking episodes. The upscale flux of enstrophy, in particular, suggests that the persistence of blocking periods may be due to reduced dissipation of the large scale circulation and therefore entail some above normal predictability.

Saltzman, B.↗

NASA NTRS1984

Grain size evolution and fractionation trends in an experimental regolith

The communication of blocky planetary surfaces into fine-grained regoliths was simulated by impacting a fragmental gabbro target 200 times with stainless steel projectiles. It is found that the comminution efficiency of the surfaces changes with time, being highest in the early stages of regolith formation and decreasing gradually. The relationship between mean grain size and cumulative energy is not linear. Individual, fine-grained regolith components can be generated very early from relatively large progenitor fragments without going through intermediate-size fractions. Impact comminution is capable of producing fractionated fines as postulated by Papike et al. (1982). The role of grain-size selective, lateral transport to explain the fractionated nature of lunar regolith fines may have been overestimated in the past.

Horz, F.↗

NASA NTRS1987

Parabolic heavy ion flow in the polar magnetosphere

Recent observations by the Dynamics Explorer 1 satellite over the dayside polar cap magnetosphere have indicated downward flows of heavy ions such as O(+), O(2+), N(+), and N(2+) with flow velocities of the order 1 km/s (Lockwood et al., 1985). These downward flows were interpreted as the result of 'parabolic' flow of these heavy ionospheric ions from a source region associated with the polar cleft topside ionosphere. Here, a two-dimensional kinetic model is utilized to elicit features of the transport of very low energy O(+) ions from the cleft ionosphere. Bulk parameter (density, flux, thermal energies, etc.) distributions in the noon-midnight meridian plane illustrate the effects of varying convection electric fields and source energies. The results illustrate that, particularly under conditions of weak convection electric fields and weak ion heating in the cleft region, much of the intermediate altitude polar cap magnetosphere may be populated by downward flowing heavy ions. It is further shown how two-dimensional transport effects may alter the characteristic vertical profiles of densities and fluxes from ordinary profiles computed in one-dimensional steady-state models.

Horwitz, J. L.↗

NASA NTRS1989

A space-based combined thermophotovoltaic electric generator and gas laser solar energy conversion system

This paper describes a spaceborne energy conversion system consisting of a thermophotovoltaic electric generator and a gas laser. As a power source for the converson, the system utilizes an intermediate blackbody cavity heated to a temperature of 2000-2400 K by concentrated solar radiation. A double-layer solar cell of GaAs and Si forms a cylindrical surface concentric to this blackbody cavity, receiving the blackbody radiation and converting it into electricity with cell conversion efficiency of 50 percent or more. If the blackbody cavity encloses a laser medium, the blackbody radiation can also be used to simultaneously pump a lasing gas. The feasibility of blackbody optical pumping at 4.3 microns in a CO2-He gas mixture was experimentally demonstrated.

Yesil, Oktay↗

NASA NTRS1992

Modelling of IR emission of interstellar clouds. I - Emission of isolated clouds and dust abundance variations

A model for the IR emission and extinction properties of small dust particles is used here to compute the IR emissions in the IRAS photometric bands for a set of isolated, spherical, and nonhomogeneous clouds heated by the local interstellar radiation field. It is predicted that the IR limb brightening (LB) in the IRAS photometric bands caused by selective absorption of UV photons of different energies in the cloud generally happens for central extinctions over 4 mag at 12 microns and greater than 10 mag at 100 microns and intermediate extinctions for the other IRAS bands. The surface brightness in the four IRAS bands is limited to about 0.4, 0.6, 3, and 10 MJy/sr at 12, 25, 60, and 100 microns respectively when no strong density discontinuity is present at the cloud edge.

Bernard, J. P.↗

NASA NTRS1995

Dimethoxymethane: A Fuel For Direct-Oxidation Fuel Cells

Dimethoxymethane (DMM) identified as one of several high-energy fuels for direct-oxidation fuel cells. Found to undergo facile electro-oxidation to carbon dioxide and water, with methanol as possible intermediate product. Fuel electro-oxidized at sustained high rates without poisoning electrodes. Performance superior to that of methanol at same temperature. Synthesized from natural gas (methane) and is thus viable alternative to methanol in direct-oxidation fuel cells. Better performance expected at higher temperature and by use of Pt/Sn catalyst. Alternatively, low boiling temperature of DMM also makes it candidate for gas-feed operation.

Olah, George A.↗

NASA NTRS2012

Superconducting Effects in Optimization of Magnetic Penetration Thermometers for X-ray Microcalorimeters

We have made high resolution x-ray microcalorimeters using superconducting MoAu bilayers and Nb meander coils. The temperature sensor is a Magnetic Penetration Thermometer (MPT). Operation is similar to metallic magnetic calorimeters, but instead of the magnetic susceptibility of a paramagnetic alloy, we use the diamagnetic response of the superconducting MoAu to sense temperature changes in an x-ray absorber. Flux-temperature responsivtty can be large for small sensor heat capacity, with enough dynamic range for applications. We find models of observed flux-temperature curves require several effects to explain flux penetration or expulsion in the microscopic devices. The superconductor is non-local, with large coherence length and weak pinning of flux. At lowest temperatures, behavior is dominated by screening currents that vary as a result of the temperature dependence of the magnetic penetration depth, modified by the effect of the nonuniformity of the applied field occurring on a scale comparable to the coherence length. In the temperature regime where responslvity is greatest, spadal variations in the order parameter become important: both local variations as flux enters/leaves the film and an intermediate state is formed, and globally as changing stability of the electrical circuit creates a Meissner transition and flux is expelled/penetrates to minimize free energy.

Stevenson, Thomas R.↗

NASA NTRS1987

(2 + 1) resonant enhanced multiphoton ionization of H2 via the E,F 1Sigma(+)g state

In this paper, the results of ab initio calculations of photoelectron angular distributions and vibrational branching ratios for the (2 + 1) resonant enhanced multiphoton ionization (REMPI) of H2 via the E,F 1Sigma(+)g state are reported, and these are compared with the experimental data of Anderson et al. (1984). These results show that the observed non-Franck-Condon behavior is predominantly due to the R dependence of the transition matrix elements, and to a lesser degree to the energy dependence. This work presents the first molecular REMPI study employing a correlated wave function to describe the Rydberg-valence mixing in the resonant intermediate state.

Rudolph, H.↗

NASA NTRS1994

Intermediates in the Formation of Aromatics in Hydrocarbon Combustion

The formation of the first benzene ring is believed to be the rate limiting step in soot formation. Two different mechanisms have been proposed for formation of cyclic C6 species. The first involves the reaction of two acetylenes to give CH2CHCCH (vinyl acetylene), the loss of a H to give CHCHCCH (n-C41-13) or CH2CCCH (iso-C4H3), and addition of another acetylene to n-C4H3, followed by ring closure to give phenyl radical. Miller and Melius argue that only n-C4H3 leads to phenyl radical and since iso-C4H3 is more stable than n-C4H3 this mechanism is unlikely. An alternative mechanism proposed by them is formation of benzene from the dimerization of two CH2CCH (propargyl) radicals (formed by the reaction of singlet methylene with C2H2). We report reaction pathways and accurate energetics (from CASSCF/internally contracted CI calculations) for the reactions of CH(pi-2) and CH2-1 with acetylene, the reaction of vinylidene with acetylene, and the reaction of n-C4H3 and iso-C4H3 with acetylene. These calculations identify two new reactive intermediates CHCHCH ( a A"-2 ground state in Cs symmetry; spin coupling is a doublet from three singly occupied orbitals) and CHCCH (B-3 ground state in C2 symmetry) from the reaction of CH with acetylene. These species dimerize with no barrier to form benzene and para-benzyne, respectively. CHCCH is proposed as a reactive intermediate which can add to benzene to give higher polynuclear aromatic hydrocarbons or fullerenes. The addition of a C3H2 unit releases two C-C bond energies and thus the resulting addition product contains sufficient energy to break several CH bonds leading to a reduction in the H to C ratio as the cluster size increases. It is found that iso-C4H3 adds to acetylene to initially give a fulvene radical but that this species rearranges to phenyl radical. Thus, the reaction of acetylene with iso-C4H3 does lead to phenyl radical and the cyclization pathway may also contribute to formation of the initial benzene ring.

Walch, Stephen P.↗