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NASA NTRS1986

Transport of absolute angular momentum in quasi-axisymmetric equatorial jet streams

It is well known that prograde equatorial jet stresses cannot occur in an axisymmetric inviscid fluid, owing to the constraints of local angular momentum conservation. For a viscous fluid, the constraints of mass conservation prevent the formation of any local maximum of absolute angular momentum (m) without a means of transferring m against its gradient (delta m) in the meridional plane. The circumstances under which m can be diffused up-gradient by normal molecular viscosity are derived, and illustrated with reference to numerical simulations of axisymmetric flows in a cylindrical annulus. Viscosity is shown to act so as to tend to expel m from the interior outwards from the rotation axis. Such an effect can produce local super-rotation even in a mechanically isolated fluid. The tendency of viscosity to result in the expulsion of m is shown to be analogous in certain respects to a vorticity-mixing hypothesis for the effects of non-axisymmetric eddies of the zonally-averaged flow. It is shown how the advective and diffusive transport of m by non-axisymmetric eddies can be represented by the Transformed Eulerian Mean meridional circulation and the Eliassen-Palm (EP) flux of Andrews and McIntyre respectively, in the zonal mean. Constraints on the form and direction of the EP flux in an advective/diffusive flow for such eddies are derived, by analogy with similar constraints on the diffusive flux of m due to viscosity.

Read, P. L.↗

NASA NTRS1988

Mass transport phenomena between bubbles and dissolved gases in liquids under reduced gravity conditions

The experimental and analytical work that was done to establish justification and feasibility for a shuttle middeck experiment involving mass transfer between a gas bubble and a liquid is described. The experiment involves the observation and measurement of the dissolution of an isolated immobile gas bubble of specified size and composition in a thermostatted solvent liquid of known concentration in the reduced gravity environment of earth orbit. Methods to generate and deploy the bubble were successful both in normal gravity using mutually buoyant fluids and under reduced gravity conditions in the NASA Lear Jet. Initialization of the experiment with a bubble of a prescribed size and composition in a liquid of known concentration was accomplished using the concept of unstable equilibrium. Subsequent bubble dissolution or growth is obtained by a step increase or decrease in the liquid pressure. A numerical model was developed which simulates the bubble dynamics and can be used to determine molecular parameters by comparison with the experimental data. The primary objective of the experiment is the elimination of convective effects that occur in normal gravity.

Dewitt, Kenneth J.↗

NASA NTRS1988

ECUT (Energy Conversion and Utilization Technologies) program: Biocatalysis Project

Fiscal year 1987 research activities and accomplishments for the Biocatalysis Project of the U.S. Department of Energy, Energy Conversion and Utilization Technologies (ECUT) Division are presented. The project's technical activities were organized into three work elements. The Molecular Modeling and Applied Genetics work element includes modeling and simulation studies to verify a dynamic model of the enzyme carboxypeptidase; plasmid stabilization by chromosomal integration; growth and stability characteristics of plasmid-containing cells; and determination of optional production parameters for hyper-production of polyphenol oxidase. The Bioprocess Engineering work element supports efforts in novel bioreactor concepts that are likely to lead to substantially higher levels of reactor productivity, product yields, and lower separation energetics. The Bioprocess Design and Assessment work element attempts to develop procedures (via user-friendly computer software) for assessing the economics and energetics of a given biocatalyst process.

Source record↗

NASA NTRS1988

Mass transport phenomena between bubbles and dissolved gases in liquids under reduced gravity conditions

This paper will describe the experimental and analytical work that has been done to establish justification and feasibility for a Shuttle mid-deck experiment involving mass transfer between a gas bubble and a liquid. The experiment involves the observation and measurement of the dissolution of an isolated, immobile gas bubble of specified size and composition in a thermostatted solvent liquid of known concentration in the reduced gravity environment of earth orbit. Methods to generate and deploy the bubble have been successful both in normal gravity using mutually buoyant fluids and under reduced gravity conditions in the NASA Lear Jet. Initialization of the experiment with a bubble of a prescribed size and composition in a liquid of known concentration has been accomplished using the concept of unstable equilibrium. Subsequent bubble dissolution or growth is obtained by a step increase or decrease in the liquid pressure. A numerical model has been developed which simulates the bubble dynamics and can be used to determine molecular parameters by comparison with the experimental data. The primary objective of the experiment is the elimination of convective effects that occur in normal gravity. The results will yield information on transport under conditions of pure diffusion.

Dewitt, Kenneth J.↗

NASA NTRS1989

Infrared spectroscopy of astrophysical ices - New insights in the photochemistry

The photochemical effects of the interstellar radiation field on the ice mantles of molecular-cloud dust grains are investigated by means of laboratory simulations. The apparatus and analytical methods described by Hagen et al. (1979) and Hagen (1982) are employed, and the results are presented as spectra and discussed in detail. Consideration is given to the strong IR absorption bands of OCN(-) and NH4(+) which appear after photolysis and heating of H2O/NH3/CO/O2 ices, the detection of similar bands toward W33A, the critical role of NH3 in the photochemical production of ions, and the use of calculated integrated absorption-band strengths to estimate astrophysical column densities.

Grim, R. J. A.↗

NASA NTRS1992

The solar system: Importance of research to the biological sciences

An attempt is made to describe the scope of scientific areas that comprise the current field of exobiology in the United States. From investigations of astrophysical phenomena that deal with the birth of stars and planetary systems to questions of molecular biology involving phylogenetic relationships among organisms, from attempts to simulate the synthesis of biological precursor molecules in the chemistry laboratory to making measurements of the organic constituents of Titan's atmosphere, these researches all converge toward a common objective--answering the question of how life came about in the universe.

Klein, Harold P.↗

NASA NTRS1996

Hard Gamma Ray Emission from the Starburst Galaxy NGC 253

We have completed the study to search for hard gamma ray emission from the starburst galaxy NGC 253. Since supernovae are thought to provide the hard gamma ray emission from the Milky Way, starburst galaxies, with their extraordinarily high supernova rates, are prime targets to search for hard gamma ray emission. We conducted a careful search for hard gamma ray emission from NGC 253 using the archival data from the EGRET experiment aboard the CGRO. Because this starburst galaxy happens to lie near the South Galactic Pole, the Galactic gamma ray background is minimal. We found no significant hard gamma ray signal toward NGC 253, although a marginal signal of about 1.5 sigma was found. Because of the low Galactic background, we obtained a very sensitive upper limit to the emission of greater than 100 MeV gamma-rays of 8 x 10(exp -8) photons/sq cm s. Since we expected to detect hard gamma ray emission, we investigated the theory of gamma ray production in a dense molecular medium. We used a leaky-box model to simulate diffusive transport in a starburst region. Since starburst galaxies have high infrared radiation fields, we included the effects of self-Compton scattering, which are usually ignored. By modelling the expected gamma-ray and synchrotron spectra from NGC 253, we find that roughly 5 - 15% of the energy from supernovae is transferred to cosmic rays in the starburst. This result is consistent with supernova acceleration models, and is somewhat larger than the value derived for the Galaxy (3 - 10%). Our calculations match the EGRET and radio data very well with a supernova rate of 0.08/ yr, a magnetic field B approx. greater than 5 x 10(exp -5) G, a density n approx. less than 100/sq cm, a photon density U(sub ph) approx. 200 eV/sq cm, and an escape time scale tau(sub 0) approx. less than 10 Myr. The models also suggest that NGC 253 should be detectable with only a factor of 2 - 3 improvement in sensitivity. Our results are consistent with the standard picture of gamma-ray acceleration by supernovae.

Jackson, James M.↗

NASA NTRS2000

Laboratory Astrochemistry: Interstellar PAHs

Polycyclic aromatic hydrocarbons (PAHs) are now considered to be an important and ubiquitous component of the organic material in space. PAHs are found in a large variety of extraterrestrial materials such as interplanetary dust particles (IDPs) and meteoritic materials. PAHs are also good candidates to account for the infrared emission bands (UIRs) and the diffuse interstellar optical absorption bands (DIBs) detected in various regions of the interstellar medium. The recent observations made with the Infrared Space Observatory (ISO) have confirmed the ubiquitous nature of the UIR bands and their carriers. PAHs are thought to form through chemical reactions in the outflow from carbon-rich stars in a process similar to soot formation. Once injected in the interstellar medium, PAHs are further processed by the interstellar radiation field, interstellar shocks and energetic particles. A major, dedicated, laboratory effort has been undertaken to measure the physical and chemical characteristics of these complex molecules and their ions under experimental conditions that mimic the interstellar conditions. These measurements require collision-free conditions where the molecules and ions are cold and chemically isolated. The spectroscopy of PAHs under controlled conditions represents an essential diagnostic tool to study the evolution of extraterrestrial PAHs. The Astrochemistry Laboratory program will be discussed through its multiple aspects: (1) objectives, (2) approach and techniques adopted, (3) adaptability to the nature of the problem(s), and (4) results and implications for astronomy as well as for molecular spectroscopy. A review of the data generated through laboratory simulations of space environments and the role these data have played in our current understanding of the properties of interstellar PAHs will be presented. The discussion will also introduce the newest generation of laboratory experiments that are currently being developed in order to provide a closer simulation of space environments and a better support to space missions.

Salama, Farid↗

NASA NTRS2000

Laboratory Astrochemistry: Interstellar PAH Analogs

Polycyclic aromatic hydrocarbons (PAHs) are now considered to be an important and ubiquitous component of the organic material in space. PAHs are found in a large variety of extraterrestrial materials such as interplanetary dust particles (IDPs) and meteoritic materials. PAHs are also good candidates to account for the infrared emission bands (UIRs) and the diffuse interstellar optical absorption bands (DIBs) detected in various regions of the interstellar medium. The recent observations made with the Infrared Space Observatory (ISO) have confirmed the ubiquitous nature of the UIR bands and their carriers. PAHs are though to form through chemical reactions in the outflow from carbon-rich stars in a process similar to soot formation. Once injected in the interstellar medium, PAHs are further processed by the interstellar radiation field, interstellar shocks and energetic particles. A major, dedicated, laboratory effort has been undertaken over the past years to measure the physical and chemical characteristics of these complex molecules and their ions under experimental conditions that mimic the interstellar conditions. These measurements require collision-free conditions where the molecules and ions are cold and chemically isolated. The spectroscopy of PAHs under controlled conditions represents an essential diagnostic tool to study the evolution of extraterrestrial PAHs. The Astrochemistry Laboratory program will be discussed through its multiple aspects: objectives, approach and techniques adopted, adaptability to the nature of the problem(s), results and implications for astronomy as well as for molecular spectroscopy. A review of the data generated through laboratory simulations of space environments and the role these data have played in our current understanding of the properties of interstellar PAHs will be presented. The discussion will also introduce the newest generation of laboratory experiments that are currently being developed in order to provide a closer simulation of space environments and a better support to space missions.

Salama, Farid↗

NASA NTRS2000

Molecular Spectroscopy in Astrophysics: Interstellar PAHs

Polycyclic aromatic hydrocarbons (PAHs) are now considered to be an important and ubiquitous component of the organic material in space. PAHs are found in a large variety of extraterrestrial materials such as interplanetary dust particles (IDPs) and meteoritic materials. PAHs are also good candidates to account for the infrared emission bands (UIRs) and the diffuse interstellar optical absorption bands (DIBs) detected in various regions of the interstellar medium. The recent observations made with the Infrared Space Observatory (ISO) have confirmed the ubiquitous nature of the UIR bands and their carriers. PAHs are thought to form through chemical reactions in the outflow from carbon-rich stars in a process similar to soot formation. Once injected in the interstellar medium, PAHs are further processed by the interstellar radiation field, interstellar shocks and energetic particles. A long-term laboratory effort has been undertaken to measure the physical and chemical characteristics of these carbon molecules and their ions under experimental conditions that mimic the interstellar conditions. These measurements require collision-free conditions where the molecules and ions are cold and chemically isolated. The spectroscopy of PAHs under controlled conditions represents an essential diagnostic tool to study the evolution of extraterrestrial PAHs. The laboratory results will be discussed as well as the implications for astronomy and for molecular spectroscopy. A review of the data generated through laboratory simulations of space environments and the role these data have played in our current understanding of the properties of interstellar PAHs will be presented. We will also present the new generation of laboratory experiments that are currently being developed in order to provide a closer simulation of space environments and a better support to space missions.

Salama, Farid↗

NASA NTRS2000

Laboratory Studies of Interstellar PAH Analogs

Polycyclic aromatic hydrocarbons (PAHs) are now considered to be an important and ubiquitous component of the organic material in space. PAHs are found in a large variety of extraterrestrial materials such as interplanetary dust particles (IDPs) and meteoritic materials. PAHs are also good candidates to account for the infrared emission bands (UIRs) and the diffuse interstellar optical absorption bands (DIBs) detected in various regions of the interstellar medium. The recent observations made with the Infrared Space Observatory (ISO) have confirmed the ubiquitous nature of the UIR bands and their carriers. PAHs are though to form through chemical reactions in the outflow from carbon-rich stars in a process similar to soot formation. Once injected in the interstellar medium, PAHs are further processed by the interstellar radiation field, interstellar shocks and energetic particles. A major, dedicated, laboratory effort has been undertaken over the past years to measure the physical and chemical characteristics of these complex molecules and their ions under experimental conditions that mimic the interstellar conditions. These measurements require collision-free conditions where the molecules and ions are cold and chemically isolated. The spectroscopy of PAHs under controlled conditions represents an essential diagnostic tool to study the evolution of extraterrestrial PAHs. The Astrochemistry Laboratory program will be discussed through its multiple aspects: objectives, approach and techniques adopted, adaptability to the nature of the problem(s), results and implications for astronomy as well as for molecular spectroscopy. A review of the data generated through laboratory simulations of space environments and the role these data have played in our current understanding of the properties of interstellar PAHs will be presented. The discussion will also introduce the newest generation of laboratory experiments that are currently being developed in order to provide a closer simulation of space environments and a better support to space missions.

Salama, Farid↗

NASA NTRS2003

Turbulent Mixing of Multiphase Flow

Thus we conduct numerical simulations of multiphase fluids stirred by two-dimensional turbulence to assess the possibility of self-similar drop size distribution in turbulence. In our turbulence simulations, we also explore the non-diffusive limit, where molecular mobility for the interface is vanishing. Special care is needed to transport the non-diffusive interface. Numerically, we use the particle level set method to evolve the interface. Instead of using the usual methods to calculate the surface tension force from the level set function, we reconstruct the interface based on phase- field modeling, and calculate the continuum surface tension forcing from the reconstructed interface.

Young, Y.-N.↗

NASA NTRS2005

Length dependence of carbon nanotube thermal conductivity and the "problem of long waves"

We present the first calculations of finite length carbon nanotube thermal conductivity that extend from the ballistic to the diffusive regime, throughout a very wide range of lengths and temperatures. The long standing problem of vanishing scattering of the "long wavelength phonf dramatically here, making the thermal conductivity diverge as the nanotube length increases. We show that the divergence disappears if 3-phonon scattering processes are considered to second or higher order. Nevertheless, for defect free nanotubes, the thermal conductivity keeps increasing up to very large lengths (10 gm at 300 K). Defects in the nanotube are also able to remove the long wavelength divergence.

Evaluation Studies↗

NASA NTRSDate not supplied

Impact of Space Radiation on Plant Seeds: from Arabidopsis thaliana to Crops

One of the major concerns for long-term exploration missions beyond the Earth’s magnetosphere is radiation risk, primarily from solar particle events (SPE) and galactic cosmic rays (GCR). With the goal of manned Mars exploration, the production of fresh food during long-duration space missions provides critical nutritional supplementation and may also benefit astronauts’ behavioral health. However, the effects of space radiation on plants and plant propagules have not been sufficiently investigated and characterized. This is the final report of our project to summarize the findings of the effect of space radiation exposure on plant seeds from morphometrics, nutritional values, to molecular machenisms. In this study, we evaluated the effect of simulated GCR (using dry seeds) or SPE (using hydrated seeds) on seeds of Arabidopsis, Mizuna mustard, ‘Outredgeous’ red romaine lettuce, and ‘Red Robin’ dwarf tomato. Seeds were exposed to various doses of simulated space radiation scenarios, either acutely or at a low dose rate (LDR), using the NASA Space Radiation Laboratory (NSRL) facility at Brookhaven National Lab (BNL). Exposure to simulated GCR or SPE at the levels tested had no significant impact on the germination rate in Arabidopsis and crop seeds; however, GCR reduced the viability of lettuce and tomato seeds. Overall, the morphological changes of the seedlings cultured from irradiated seeds were dose- and ion quality- dependent, with heavier ions causing more severe damage. These changes ranged from cotyledon deformation, shortened root length, smaller seedling size, and other signs of stress, depending on the seed types. Both 40 and 80 cGy (LDR) exposures of GCR or SPE significantly affected tomato early seedling development, delayed tomato fruiting, and reduced the total yield of tomato. Altered nutritional values were also found in edible biomass, especially for the GCR 80 cGy (LDR) groups. Underlying mechanisms were furtherly evaluated using transcriptomic analysis. For both GCR and SPE, 40 cGy showed some effects, but to a much lesser extent compared with 80 cGy, which can be considered as the “maximum permissible exposure” for the seed types we evaluated in this study. The impact of space radiation on seeds potentially affects the ability of plants to adapt to other environmental stresses (e.g. microgravity, water stress, and hardware constraints) as well as susceptibility to plant diseases, which need to be furtherly investigated. This research is funded by NASA’s Human Research Program.

J T Richards↗

NASA NTRSDate not supplied

Impact of Space Radiation on Plant Seeds: from Arabidopsis thaliana to Crops

One of the major concerns for long-term exploration missions beyond the Earth’s magnetosphere is radiation risk, primarily from solar particle events (SPE) and galactic cosmic rays (GCR). With the goal of manned Mars exploration, the production of fresh food during long-duration space missions provides critical nutritional supplementation and may also benefit astronauts’ behavioral health. However, the effects of space radiation on plants and plant propagules have not been sufficiently investigated and characterized. This is the final report of our project to summarize the findings of the effect of space radiation exposure on plant seeds from morphometrics, nutritiaonal values, to molecular machenisms. In this study, we evaluated the effect of simulated GCR (using dry seeds) or SPE (using hydrated seeds) on seeds of Arabidopsis, Mizuna mustard, ‘Outredgeous’ red romaine lettuce, and ‘Red Robin’ dwarf tomato. Seeds were exposed to various doses of simulated space radiation scenarios, either acutely or at a low dose rate (LDR), using the NASA Space Radiation Laboratory (NSRL) facility at Brookhaven National Lab (BNL). Exposure to simulated GCR or SPE at the levels tested had no significant impact on the germination rate in Arabidopsis and crop seeds; however, GCR reduced the viability of lettuce and tomato seeds. Overall, the morphological changes of the seedlings cultured from irradiated seeds were dose- and ion quality- dependent, with heavier ions causing more severe damage. These changes ranged from cotyledon deformation, shortened root length, smaller seedling size, and other signs of stress, depending on the seed types. Both 40 and 80 cGy (LDR) exposures of GCR or SPE significantly affected tomato early seedling development, delayed tomato fruiting, and reduced the total yield of tomato. Altered nutritional values were also found in edible biomass, especially for the GCR 80 cGy (LDR) groups. Underlying mechanisms were furtherly evaluated using transcriptomic analysis. For both GCR and SPE, 40 cGy showed some effects, but to a much lesser extent compared with 80 cGy, which can be considered as the “maximum permissible exposure” for the seed types we evaluated in this study. The impact of space radiation on seeds potentially affects the ability of plants to adapt to other environmental stresses (e.g. microgravity, water stress, and hardware constraints) as well as susceptibility to plant diseases, which need to be furtherly investigated. This research is funded by NASA’s Human Research Program.

J.T. Richards↗

NASA NTRS1984

Computer simulation of surface and film processes

All the investigations which were performed employed in one way or another a computer simulation technique based on atomistic level considerations. In general, three types of simulation methods were used for modeling systems with discrete particles that interact via well defined potential functions: molecular dynamics (a general method for solving the classical equations of motion of a model system); Monte Carlo (the use of Markov chain ensemble averaging technique to model equilibrium properties of a system); and molecular statics (provides properties of a system at T = 0 K). The effects of three-body forces on the vibrational frequencies of triatomic cluster were investigated. The multilayer relaxation phenomena for low index planes of an fcc crystal was analyzed also as a function of the three-body interactions. Various surface properties for Si and SiC system were calculated. Results obtained from static simulation calculations for slip formation were presented. The more elaborate molecular dynamics calculations on the propagation of cracks in two-dimensional systems were outlined.

Tiller, W. A.↗

NASA NTRS2016

The Formation of Nucleobases from the Irradiation of Purine in Astophysical Ices and Comparisons with Meteorites.

N-heterocycles have been identified in meteorites and their extraterrestrial origins are suggested by isotopic ratio measurements. Although small N- heterocycles have not been detected in the interstellar medium (ISM), recent experiments in our lab have shown that the irradiation of the aromatic molecules like benzene (C6H6) and naphthalene (C10H8) in mixed molecular ices leads to the formation of O- and N-heterocyclic molecules. Among the class of N-heterocycles are the nucleobases, which are of astrobiological interest because they are the information bearing units of DNA and RNA. Nucleobases have been detected in meteorites [3-5], with isotopic signatures that are also consistent with an extraterrestrial origin. Three of the biologically relevant nucleobases (uracil, cytosine, and guanine) have a pyrimidine core structure while the remaining two (adenine and guanine) possess a purine core. Previous experiments in our lab have demonstrated that all of the bio-logical nucleobases (and numerous other molecules) with a pyrimidine core structure can be produced by irradiating pyrimidine in mixed molecular ices of several compositions [6-8]. In this work, we study the formation of purine-based molecules, including the nucleobases adenine, and guanine, from the ultraviolet (UV) irradiation of purine in ices consisting mixtures of H2O and NH3 at low temperature. The experiments are designed to simulate the astrophysical conditions under which these species may be formed in dense molecular clouds, protoplanetary disks, or on the surfaces of icy bodies in planetary systems.

Astrochemistry↗

NASA NTRSDate not supplied

Advanced Materials for the Lunar Surface: Multiscale Computational Design of Refractory Alloys and Carbides

Emerging operational environments, such as the lunar surface, present novel challenges for NASA and drive the need for advanced materials in applications like fission surface power systems. To address these demands, computational materials science is rapidly evolving to augment or replace costly and hazardous empirical testing. Although materials selection at NASA remains predominantly experimentally driven, advanced simulation methodologies are being steadily integrated into the engineering lifecycle. This work details the application of multiscale simulation techniques—including first-principles calculations, CALPHAD, dislocation dynamics, and molecular dynamics—at NASA's Ames Research Center to evaluate advanced materials for extreme environments. First, we present contributions to the Space Nuclear Propulsion Project. Be-cause propellant channel coatings in nuclear thermal rockets must withstand high-pressure, high-temperature hydro-gen, optimizing these materials is critical. First-principles calculations were employed to establish a rigorous quantitative and qualitative understanding of the behavior of the refractory carbides ZrC, NbC, and their mixtures in high-enthalpy hydrogen environments. This necessitated the generation of high-fidelity thermodynamic models for both stoichiometric and carbon-depleted carbides, both with and without the presence of hydrogen. Furthermore, we highlight efforts under the Refractory Alloy Additive Manufacturing Build Optimization (RAAMBO) project, where existing and novel alloy compositions were assessed for additive manufacturing printability and subsequent performance in applications such as heat pipes and rocket nozzle extensions. This was accomplished through a comprehensive multiscale simulation framework that bridged the gap from the nanometer to the millimeter scale. Across both initiatives, rigorous validation against empirical data was prioritized. By systematically employing a verified and validated computational frame-work, we demonstrate how simulation effectively supports multidisciplinary engineering efforts, builds project-wide confidence, and drives critical materials development.

computational materials↗