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NASA NTRS1985

Far-infrared line intensities of H2O and CO from warm molecular clouds

Takahashi et al. (1983) have studied the role of H2O in the overall energetics of warm molecular clouds with large optical depths. It was found that in molecular clouds associated with nearby or embedded luminosity sources, the dust is likely to be warmer than the molecular gas. Thus, the warm dust represents the primary source of heat for the gas. In some cases, H2O was found to cool the gas. Takahashi et al. (1983) have presented the formalism for treating H2O in an optically thick molecular cloud with embedded sources of luminosity. The total H2O heating and cooling rates were also calculated. In the present investigation, the emergent intensities of far-infrared lines of H2O and excited, rotational CO transitions from relatively warm molecular clouds based on the large-velocity gradient model of the previous study are calculated. It is found that the dominant submillimeter CO transitions are related to emission, while the H2O transitions can be either absorption or emission lines.

Takahashi, T.↗

NASA NTRS2011

The Importance of Water for High Fidelity Information Processing and for Life

Is water an absolute prerequisite for life? Life depends on a variety of non-covalent interactions among molecules, the nature of which is determined as much by the solvent in which they occur as by the molecules themselves. Catalysis and information processing, two essential functions of life, require non-covalent molecular recognition with very high specificity. For example, to correctly reproduce a string consisting of 600,000 units of information (e.g ., 600 kilobases, equivalent to the genome of the smallest free living terrestrial organisms) with a 90% success rate requires specificity > 107 : 1 for the target molecule vs. incorrect alternatives. Such specificity requires (i) that the correct molecular association is energetically stabilized by at least 40 kJ/mol relative to alternatives, and (ii) that the system is able to sample among possible states (alternative molecular associations) rapidly enough to allow the system to fall under thermodynamic control and express the energetic stabilization. We argue that electrostatic interactions are required to confer the necessary energetic stabilization vs. a large library of molecular alternatives, and that a solvent with polarity and dielectric properties comparable to water is required for the system to sample among possible states and express thermodynamic control. Electrostatic associations can be made in non-polar solvents, but the resulting complexes are too stable to be "unmade" with sufficient frequency to confer thermodynamic control on the system. An electrostatic molecular complex representing 3 units of information (e.g., 3 base pairs) with specificity > 107 per unit has a stability in non-polar solvent comparable to that of a carbon-carbon bond at room temperature. These considerations suggest that water, or a solvent with properties very like water, is necessary to support high-fidelity information processing, and can therefore be considered a critical prerequisite for life.

Hoehler, Tori M.↗

NASA NTRS2013

Physical and Chemical Toeholds for Exoplanet Bioastronomy

If a search for exoplanet life were mounted today, the likely focus would be to detect oxygen (or ozone) in the atmosphere of a water-bearing rocky planet orbiting roughly 1AU from a G-type star. This appropriately conservative and practical default is necessary in large part because biological input on the question of where and how to look for life has progressed little beyond a purely empirical reliance on the example of terrestrial biology. However, fundamental physical and chemical considerations may impose significant yet universal constraints on biological potential. The liquid water + oxygen paradigm will be considered as an example, with a focus on the question, is liquid water a prerequisite for life? . Life requires a solvent to mediate interactions among biological molecules. A key class of these interactions is molecular recognition with high specificity, which is essential for high fidelity catalysis and (especially) information processing. For example, to correctly reproduce a string consisting of 600,000 units of information (e.g., 600 kilobases, equivalent to the genome of the smallest free living terrestrial organisms) with a 90% success rate requires specificity greater than 10(exp 7):1 for the target molecule vs. incorrect alternatives. Such specificity requires (i) that the correct molecular association is energetically stabilized by at least 40 kJ/mol relative to alternatives, and (ii) that the system is able to sample among possible states (alternative molecular associations) rapidly enough to allow the system to fall under thermodynamic control and express the energetic stabilization. We argue that electrostatic interactions are required to confer the necessary energetic stabilization vs. a large library of molecular alternatives, and that a solvent with polarity and dielectric properties comparable to water is required for the system to sample among possible states and express thermodynamic control. Electrostatic associations can be made in non-polar solvents, but the resulting complexes are too stable to be "unmade" with sufficient frequency to confer thermodynamic control on the system. Such considerations suggest that water, or a solvent with properties very like water, is necessary to support high-fidelity information processing a feature that must be common to all biology and can therefore be considered a critical prerequisite for life.

Hoehler, Tori↗

NASA NTRS1998

Identification of Complex Carbon Nanotube Structures

A variety of complex carbon nanotube (CNT) structures have been observed experimentally. These include sharp bends, branches, tori, and helices. They are believed to be formed by using topological defects such as pentagons and heptagons to connect different CNT. The effects of type, number, and arrangement (separation and orientation) of defects on atomic structures and energetics of complex CNT are investigated using topology, quantum mechanics and molecular mechanics calculations. Energetically stable models are derived for identification of observed complex CNT structures.

Han, Jie↗

NASA NTRS2012

Space Weathering Investigations Enabled by NASA's Virtual Heliophysical Observatories

Structural and chemical impact of the heliospheric space environment on exposed planetary surfaces and interplanetary dust grains may be generally defined as space weathering . In the inner solar system, from the asteroid belt inwards towards the Sun, the surface regolith structures of airless bodies are primarily determined by cumulative meteoritic impacts over billions of years, but the molecular composition to meters in depth can be substantially modified by irradiation effects. Plasma ions at eV to keV energies may both erode uppermost surfaces by sputtering, and implant or locally produce exogenic material, e.g. He-3 and H2O, while more energetic ions drive molecular change through electronic ionization. Galactic cosmic ray ions and more energetic solar ions can impact chemistry to meters in depth. High energy cosmic ray interactions produce showers of secondary particles and energetic photons that present hazards for robotic and human exploration missions but also enable detection of potentially useable resources such as water ice, oxygen, and many other elements. Surface sputtering also makes ejected elemental and molecular species accessible for in-situ compositional analysis by spacecraft with ion and neutral mass spectrometers. Modeling of relative impacts for these various space weathering processes requires knowledge of the incident species-resolved ion flux spectra at plasma to cosmic ray energies and as integrated over varying time scales. Although the main drivers for investigations of these processes come from NASA's planetary science and human exploration programs, the NASA heliophysics program provides the requisite data measurement and modeling resources to enable specification of the field & plasma and energetic particle irradiation environments for application to space weather and surface weathering investigations. The Virtual Heliospheric Observatory (VHO), Virtual Energetic Particle Observatory (VEPO), Lunar Solar Origins Exploration (LunaSOX), and Space Physics Data Facility (SPDF) services now provide a wide range of inner heliospheric spacecraft data that can be applied to space weathering of potential exploration destinations including the Moon, asteroids, and the moons of Mars, as well to radiation hazard assessment for the spacecraft and human explorers. For example, the new VEPO service for time-averaging of multi-source ion flux spectra enables the specification of composite flux spectra from a variety of ongoing and legacy missions for applications to surface interaction modeling. Apollo to Artemis data resources of LunaSOX enable specific space weathering investigations for the Moon, while VHO more generally covers the space field and plasma environments of the inner and outer solar system from the sunward-most perihelia of the twin Helios spacecraft to the ongoing heliosheath passages of the twin Voyagers. Composite multi-source spectra from VEPO can also be applied to the continuing compilation of accumulated 1-AU fluence spectra, mostly contributed by solar wind plasma and energetic particle events, for determination of time-averaged particle compositional and kinetic energy output from the Sun and for modeling of long-term irradiation impacts on planetary surfaces.

Cooper, John F.↗

NASA NTRS1979

The erosion of planetary and satellite atmospheres by energetic atomic particles

Analytic expressions are presented which may be used to compute the sputter-erosion yield from any unimolecular gravitationally bound gas by any atomic charged particle of any energy. A calculation of solar wind proton and alpha particle induced erosion of the CO2 atmosphere of Mars predicts molecular sputtering yields. An expression for the emission yield of energetic molecular fragments produced in primary knock-on events is given in closed form; such fragment emission is of secondary importance for mass loss compared to the molecular yield itself. Erosion by radiation belt protons of a hypothetical thin O2 atmosphere associated with the Jovian satellite Ganymede is considered, and molecular sputtering yields for proton energies are determined.

Haff, P. K.↗

NASA NTRS1989

A CO and far-infrared study of the S254-S258 region

The molecular cloud associated with compact radio and bright optical H II regions is studied from observations of (C-12)O, (C-13)O, HCN J = 1-0 emission. The far-infrared and millimeter molecular line emission from the S254-S258 molecular cloud is analyzed, using co-added survey data from IRAS, to investigate the coupling between the dust and gas components and the internal energetics associated with molecular clouds. The dust component is analyzed by fitting model intensities, derived from a dust mass column density temperature relation, to the observed far-infrared emission. Such modeling is shown to provide a more complete description of the cold dust component which comprises most of the dust mass than can be determined from the standard single temperature analysis. Local heating of the dust component by newborn massive stars associated with the H II regions of the cloud is inferred from the spatial distribution of temperatures of grains which make the largest contributions to the observed 60 and 100 micron emission.

Heyer, Mark H.↗

NASA NTRS1993

Extended CO(7-6) emission from warm gas in Orion

Results of a search for extended CO(7-6) line emission in the Orion A molecular cloud using the University of Texas submillimeter laser heterodyne receiver are presented. The large-scale distribution of quiescent CO(7-6) emission is mapped along a cut across the Trapezium cluster extending more than 13 arcmin (nearly 2 pc) in R.A. The receiver, observing method, and calibration techniques are described, and the CO(7-6) spectra and maps are presented. The physical parameters and energetics of the molecular gas are discussed. The findings are compared with observations of other high-luminosity star-forming regions.

Howe, J. E.↗

NASA NTRS1996

High Energy Density Matter for Rocket Propulsion

The objective of the High Energy Density Matter (HEDM) program is to identify, develop, and exploit high energy atomic and molecular systems as energetic sources for rocket propulsion applications. It is a high risk, high payoff program that incorporates both basic and applied research, experimental and theoretical efforts, and science and engineering efforts. The HEDM program is co-sponsored by the Air Force Office of Scientific Research (AFOSR) and the Phillips Laboratory (PURKS). It includes both in-house and contracted University/Industry efforts. Technology developed by the HEDM program offers the opportunity for significant breakthroughs in propulsion system capabilities over the current state-of-the-art. One area of great interest is the use of cryogenic solids to increase the density of the propellant and to act as a stable matrix for storage of energetic materials. No cryogenic solid propellant has ever been used in a rocket, and there remain engineering challenges to such a propellant. However, these solids would enable a wide class of highly energetic materials by providing an environment that is at very low temperatures and is a physical barrier to recombination or energy loss reactions. Previous to our experiments only hydrogen atoms had been isolated in solid hydrogen. To date we have succeeded in trapping B, Al, Li, N, and Mg atoms in solid H2. Small molecules, such as B2 and LiB, are also of interest. Current efforts involve the search for new energetic small molecules, increasing free radical concentrations up to 5 mole percent, and scale-up for propulsion testing.

Carrick, Patrick G.↗

NASA NTRS1994

Turbulent Diffusion and Concentration of "Chondrules" in the Protoplanetary Nebula

Turbulence is known to possess structure on many scales. The largest or integral scale L is usually taken to be the largest relevant dimension of the system; for the nebula as a whole, it would be on the order of a vertical gas scale height H approximately 0.1R where R is the distance from the sun. Turbulent kinetic energy cascades towards smaller scales; for fully developed, homogeneous turbulence, the turbulent kinetic energy peaks at the integral scale and is distributed within its "inertial range" according to the Kolmogorov energy spectrum dE(k) = E(sub 0)(kL)(sup -5/3)dk where k is the wavenumber or inverse wavelength. The smallest scale in a turbulent regime is the Kolmogorov scale (n)(sometimes referred to as the inner scale). On this scale, molecular viscosity can dissipate turbulent kinetic energy . Turbulent flows are characterized by their Reynolds number Re = UL/v, where U is a characteristic velocity scale and v is molecular viscosity. More energetic (higher Re) flows drive turbulence to smaller Kolmogorov scales: n = LRe(sup -3/4). Two different turbulent regimes are likely to be of importance; early stage convective turbulence in a hot nebula probably extends over the entire nebula scale height, and probably has typical eddy frequency comparable to the orbit frequency. At a later stage, midplane shear layer turbulence can be driven by the presence of a differentially rotating, densely settled particle layer, with different length and time scales.

Cuzzi, Jeffrey N.↗

NASA NTRS2017

A Spaceflight Experiment to Determine the Effect of Chamfered Sample Holders on Atomic Oxygen Erosion

The exteriors of low Earth orbit (LEO) spacecraft are subjected to many environmental threats that can cause the surface materials to degrade. One of these threats is atomic oxygen (AO), which is formed by photo dissociation of molecular oxygen by energetic UV radiation. Atomic oxygen exposure can result in oxidative erosion of polymers leading to structural or thermal failure of spacecraft components. The amount of AO erosion expected during a mission can be calculated by knowing the AO erosion yield (Ey, volume loss per incident atom) of the material and the AO fluence expected for the mission. The Ey can be determined through dehydrated mass loss measurements of test samples if one knows the AO fluence, density, and exposure area. Such measurements have been made as part of flight experiments, including the Materials International Space Station Experiment 2 (MISSE 2) Polymers Experiment. The MISSE 2 Polymers Experiment sample holders had chamfered circular apertures that controlled the exposure area, but also allowed some additional AO to scatter from the chamfered edges onto the samples thus causing some samples to erode thru and peel at their perimeter due to this scattering effect. By modeling the scattered AO flux one can predict the actual total AO fluence, and hence more accurate sample Ey. Sample holders with different chamfered-perimeter to exposed-area ratios have been designed for future spaceflight experiments that allow a more accurate determination of the Ey for large area polymers, representative of their use on spacecraft surfaces.

Earth Orbital Environments↗

NASA NTRS2007

Dynamics of Nanoscale Grain-Boundary Decohesion in Aluminum by Molecular-Dynamics Simulation

The dynamics and energetics of intergranular crack growth along a flat grain boundary in aluminum is studied by a molecular-dynamics simulation model for crack propagation under steady-state conditions. Using the ability of the molecular-dynamics simulation to identify atoms involved in different atomistic mechanisms, it was possible to identify the energy contribution of different processes taking place during crack growth. The energy contributions were divided as: elastic energy, defined as the potential energy of the atoms in fcc crystallographic state; and plastically stored energy, the energy of stacking faults and twin boundaries; grain-boundary and surface energy. In addition, monitoring the amount of heat exchange with the molecular-dynamics thermostat gives the energy dissipated as heat in the system. The energetic analysis indicates that the majority of energy in a fast growing crack is dissipated as heat. This dissipation increases linearly at low speed, and faster than linear at speeds approaching 1/3 the Rayleigh wave speed when the crack tip becomes dynamically unstable producing periodic dislocation bursts until the crack is blunted.

Yamakov, V.↗

NASA NTRS1997

Infrared Line Emission from Molecular Gas Heated by X-Rays and Energetic Electrons

"I propose to carry out a detailed study using infrared observations (and in some cases, optical and ultraviolet observations) of dense interstellar gas exposed to intense fluxes of X-rays and/or energetic electrons. This is undoubtedly the dominant source of line emission for clouds exposed to X-rays from active galactic nuclei, supernova shocks, or embedded X-ray sources (e.g., X-ray binaries), or to high-temperature or relativistic electrons in galaxy clusters, near powerful radio sources, or supernova remnants. Detailed physical and chemical models of such clouds will be used to analyze infrared observations of the Great Annihilator X-ray source in the Galactic Center, cD galaxies in massive cooling flows, and the nuclei of Seyfert galaxies which will be obtained with the Infrared Space Observatory (ISO), UV and optical observations of the Crab Nebula obtained with the Hubble Space Telescope, and ground-based near-infrared observations of Seyfert nuclei. Results from this work will also be of great relevance to observations obtained with the Submillimeter Wave Astronomical Satellite (SWAS). In the first year of funding of this proposal, my chief collaborators (D.J. Hollenbach and A.G.G.M. Tielens, both of NASA Ames Research Center) and I concentrated on completing our models of the physical conditions in, and the resulting line emission from, dense gas irradiated by X-rays. As noted in the original proposal, some important physical processes were not yet thoroughly incorporated into our models at the time of submission. We completed our modeling of the physical conditions and line emission for essentially the entire range of parameter space (five orders of magnitude in X-ray flux to gas density ratio) occupied by typical dense interstellar clouds in which the gas is mostly neutral and X-rays are important for the ionization, chemistry, and thermal balance.

Maloney, Philip R.↗

NASA NTRS1985

Planned investigation of infrared emissions associated with the induced spacecraft glow: A shuttle infrared glow experiment (SIRGE)

The characteristics of infrared molecular emissions induced by energetic collisions between ambient atmospheric species and surfaces in Earth orbit are investigated, using a low-nitrogen-cooled filter wheel photometer covering the wavelength range 0.9-.5 microns with a resolving power Lambda/Delta Lambda of approximately 100. This resolving power is sufficient for identification of the molecular or atomic fluorescent spaces causing the glow.

Mumma, M. J.↗

NASA NTRS1990

The 158 micrometer (CII) line: A measure of global star formation activity in galaxies

Some 158 micron (CII) fine structure line observations from a sample of fourteen gas rich galaxies are reported. These measurements confirm and generalize previous basic results that the (CII) line is bright amounting to approximately 0.1 to 1 percent of the Far Infra Red (FIR) luminosity of the nuclear regions of galaxies; the (CII) line is formed in the warm (temperature of the gas is greater than 200 K), dense (n sub H greater than 1000/cu cm) photodissociated gas at the interfaces between giant molecular clouds and ionized gas regions and is therefore associated with the molecular gas component in spiral galaxies; the (CII) line tracks the FIR continuum in a manner consistent with the PDR models; the integrated (CII) to isotope (12)CO (transition 1 to 0) line ratio is large (greater than or equal to 1000) in all galaxies studied, and is similarly large for galactic molecular clouds; the (CII) line is therefore energetically very important for the study of giant molecular clouds. Conclusions obtained from these results are given.

Stacey, G. J.↗

NASA NTRS1987

Structure, vibrational spectrum, and energetics of the CH5(+) ion - A theoretical investigation

Analytic derivative techniques are utilized to determine molecular geometries, vibration spectra, molecular force field, proton affinity, and energetics of clustering of protonated methane. It is observed that the geometries are gradient optimized, while the harmonic force fields and IR intensities are also determined analytically at the SCF level. It is determined that the frequency of the torsional model for rotation of the H2 about the pseudothreefold axis of the CH3(+) group is extremely low, and the proton affinity of CH4 is calculated as 129.0 kcal/mol.

Komornicki, Andrew↗

NASA NTRS1982

Fragmentation of interstellar clouds and star formation

The principal issues are addressed: the fragmentation of molecular clouds into units of stellar mass and the impact of star formation on molecular clouds. The observational evidence for fragmentation is summarized, and the gravitational instability described of a uniform spherical cloud collapsing from rest. The implications are considered of a finite pressure for the minimum fragment mass that is attainable in opacity-limited fragmentation. The role of magnetic fields is discussed in resolving the angular momentum problem and in making the collapse anisotropic, with notable consequences for fragmentation theory. Interactions between fragments are described, with emphasis on the effect of protostellar winds on the ambient cloud matter and on inhibiting further star formation. Such interactions are likely to have profound consequences for regulating the rate of star formation and on the energetics and dynamics of molecular clouds.

Silk, J.↗

NASA NTRS1972

Excitation of atomic nitrogen by electron impact

Absolute cross sections were measured for the excitation of the N I(1134, 1164, 1168, 1200, 1243, and 1743 A) multiplets by electron impact on atomic nitrogen. The presence of vibrationally excited molecular nitrogen in the discharged gas was confirmed, and its effect on the measurements is discussed. The ratio of the oscillator strengths of the 1200 and 1134 A resonance transitions is presented, as well as the branching ratio for the N I(1311/1164 A) multiplets. Striking differences in the distribution of intensity between the spectra of atomic nitrogen and molecular nitrogen excited by energetic electrons suggest an optical method for measuring the density of atomic nitrogen in the upper atmosphere.

Stone, E. J.↗