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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
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 NTRS1992

Analysis of CCD images of the coma of comet P/Halley

The modeling analysis objective of this project is to make use of the skill acquired in the development of Monte Carlo particle trajectory models for the distributions of gas species in cometary comae as a basis for a new dust coma model. This model will include a self-consistent picture of the time-dependent dusty-gas dynamics of the inner coma and the three-dimensional time-dependent trajectories of the dust particles under the influence of solar gravity and solar radiation pressure in the outer coma. Our purpose is to use this model as a tool to analyze selected images from two sets of data of the comet P/Halley with the hope that we can help to understand the effects of a number of important processes on the spatial morphology of the observed dust coma. The study will proceed much in the same way as our study of the spatially extended hydrogen coma where we were able to understand the spatial morphology of the Lyman-alpha coma in terms of the partial thermalization of the hot H atoms produced by the photodissociation of cometary H2O and OH. The processes of importance to the observed dust coma include: (1) the dust particle size distribution function; (2) the terminal velocities of various sized dust particles in the inner coma; (3) the radiation scattering properties of dust particles, which are important both in terms of the observed scattered radiation and the radiation pressure acceleration on dust particles; (4) the fragmentation and/or vaporization of dust particles; (5) the relative importance of CHON and silicate dust particles as they contribute both to the dusty-gas dynamics in the inner coma (that produce the dust particle terminal velocities) and to the observed spatial morphology of the outer dust coma; and (6) the time and direction dependence of the source of dust.

Combi, Michael R.↗
NASA NTRS2006

Carbon Nanotube Activities at NASA-Johnson Space Center

Research activities on carbon nanotubes at NASA-Johnson Space Center include production, purification, characterization and their applications for human space flight. In-situ diagnostics during nanotube production by laser oven process include collection of spatial and temporal data of passive emission and laser induced fluorescence from C2, C3 and Nickel atoms in the plume. Details of the results from the "parametric study" of the pulsed laser ablation process indicate the effect of production parameters including temperature, buffer gas, flow rate, pressure, and laser fluence. Improvement of the purity by a variety of steps in the purification process is monitored by characterization techniques including SEM, TEM, Raman, UV-VIS-NIR and TGA. A recently established NASA-JSC protocol for SWCNT characterization is undergoing revision with feedback from nanotube community. Efforts at JSC over the past five years in composites have centered on structural polymednanotube systems. Recent activities broadened this focus to multifunctional materials, supercapacitors, fuel cells, regenerable CO2 absorbers, electromagnetic shielding, radiation dosimetry and thermal management systems of interest for human space flight. Preliminary tests indicate improvement of performance in most of these applications because of the large surface area as well as high electrical and thermal conductivity exhibited by SWCNTs.

Arepalli, Sivaram↗
NASA NTRS1998

Atomic Oxygen Treatment as a Method of Recovering Smoke Damaged Paintings

Smoke damage, as a result of a fire, can be difficult to remove from some types of painting media without causing swelling, leaching or pigment movement or removal. A non-contact technique has been developed which can remove soot from the surface of a painting by use of a gently flowing gas containing atomic oxygen. The atomic oxygen chemically reacts with the soot on the surface creating gasses such as carbon monoxide and carbon dioxide which can be removed through the use of an exhaust system. The reaction is limited to the surface so that the process can be timed to stop when the paint layer is reached. Atomic oxygen is a primary component of the low Earth orbital environment, but can be generated on Earth through various methods. This paper will discuss the results of atomic oxygen treatment of soot exposed acrylic gesso, ink on paper, and a varnished oil painting. Reflectance measurements were used to characterize the surfaces before and after treatment.

Rutledge, Sharon K.↗
NASA NTRS2015

Photoejection with Excitation in H(-) and Other Systems

Lyman-alpha radiation, 1216 Angstroms , has been seen from the sun and from various astrophysical sources. This radiation arises from the radiative transition from the 2p(sup 2P) state to the 1s(sup 2S) state of the hydrogen atom. The 2P state can be excited from the 1s(sup 2S) state by electron impact. However, it is possible to produce this excited state by photodetachment of the H(-) ion, leaving the H atom in the 2P state. We have calculated cross sections for this process using Hylleraas-type functions for the H− ion and using the exchange approximation for the photoelectron in the final continuum states of angular momenta equal to 0 and 2. The photoabsorption cross sections in H−ions or He atoms leaving the hydrogen atom and helium ion in 2(sup 2S) are also calculated. Similar calculations havebeen carried out for the Li(+), Be2(+), and C4(+) ions.

photoejection↗
NASA NTRS1988

A compact imaging spectrometer for studies of space vehicle induced environment emissions

On the basis of spectral measurements made from the Space Shuttle and on models of the possible Space Station external environment, it appears likely that, even at the planned altitudes of Space Station, photon emissions will be induced. These emissions will occur to some degree throughout the UV-visible-IR spectrum. The emissions arise from a combination of processes including gas phase collisions between relatively energetic ambient and surface emitted or re-emitted atoms or molecules, where the surface raises some species to excited energy states. At present it is not possible to model these processes or the anticipated intensity levels with accuracy, as a number of fundamental parameters needed for such calculations are still poorly known or unknown. However, it is possible that certain spectral line and band features will exceed the desired goal that contaminant emissions not exceed the natural zodiacal background. However, in the near infrared and infrared, it appears that this level will be exceeded to a significant degree. Therefore it will be necessary to monitor emission levels in the vicinity of Space Station, both in order to establish the levels and to better model the environment. In this note, we briefly describe a small spectrometer that is suitable for monitoring the spectrum from 1200A to less than or approximately 12,000A. This instrument uses focal plane array detectors to image this full spectral range simultaneously. The spectral resolution is 4 to 12A, depending on the portion of the wavelength range.

Torr, Marsha R.↗
NASA NTRS1992

Monte Carlo modeling of atomic oxygen attack of polymers with protective coatings on LDEF

Characterization of the behavior of atomic oxygen interaction with materials on the Long Duration Exposure Facility (LDEF) will assist in understanding the mechanisms involved, and will lead to improved reliability in predicting in-space durability of materials based on ground laboratory testing. A computational simulation of atomic oxygen interaction with protected polymers was developed using Monte Carlo techniques. Through the use of assumed mechanistic behavior of atomic oxygen and results of both ground laboratory and LDEF data, a predictive Monte Carlo model was developed which simulates the oxidation processes that occur on polymers with applied protective coatings that have defects. The use of high atomic oxygen fluence-directed ram LDEF results has enabled mechanistic implications to be made by adjusting Monte Carlo modeling assumptions to match observed results based on scanning electron microscopy. Modeling assumptions, implications, and predictions are presented, along with comparison of observed ground laboratory and LDEF results.

Banks, Bruce A.↗
NASA NTRS2016

The Effects of High Density on the X-ray Spectrum Reflected from Accretion Discs Around Black Holes

Current models of the spectrum of X-rays reflected from accretion discs around black holes and other compact objects are commonly calculated assuming that the density of the disc atmosphere is constant within several Thomson depths from the irradiated surface. An important simplifying assumption of these models is that the ionization structure of the gas is completely specified by a single, fixed value of the ionization parameter (xi), which is the ratio of the incident flux to the gas density. The density is typically fixed at n(sub e) = 10(exp 15) per cu cm. Motivated by observations, we consider higher densities in the calculation of the reflected spectrum. We show by computing model spectra for n(sub e) approximately greater than 10(exp 17) per cu cm that high-density effects significantly modify reflection spectra. The main effect is to boost the thermal continuum at energies 2 approximately less than keV. We discuss the implications of these results for interpreting observations of both active galactic nuclei and black hole binaries. We also discuss the limitations of our models imposed by the quality of the atomic data currently available.

accretion↗
NASA NTRS1988

Photoerosion and the abundances of the light elements

The abundances of the rare light elements H-2, He-3, Li-7, and B-11 are shown to be potentially affected by photoerosion. That process, involving the interaction of high energy photons from galactic centers with atomic nuclei, will increase the abundances of H-2, He-3, and B-11 while lowering slightly those of Li-7 and He-4. In some regions of galaxies the effects may be large enough to impact their chemical evolution. In particular this process may have enhanced the H-2 and He-3 abundances near the center of our galaxy over and above those from the big bang, as well as the galactic B-11 abundance over that from cosmic-ray spallation.

Boyd, Richard N.↗
NASA NTRS1989

Photoerosion and the abundances of the light elements

The abundances of the rare light elements H-2, He-3, Li-7, and B-11 are shown to be potentially affected by photoerosion. That process, involving the interaction of high energy photons from galactic centers with atomic nuclei, will increase the abundances of H-2, He-3, and B-11 while lowering slightly those of Li-7 and He-4. In some regions of galaxies the effects may be large enough to impact their chemical evolution. In particular, this process may have enhanced the H-2 and He-3 abundances near the center of our galaxy over and above those from the big bang, as well as the galactic B-11 abundance over that from cosmic-ray spallation.

Boyd, Richard N.↗
NASA NTRS2008

Heavy Elements and Cool Stars

We report on progress in the analysis of high-resolution near-IR spectra of alpha Orionis (M2 Iab) and other cool, luminous stars. Using synthetic spectrum techniques, we search for atomic absorption lines in the stellar spectra and evaluate the available line parameter data for use in our abundance analyses. Our study concentrates on the post iron-group elements copper through zirconium as a means of investigating the slow neutron-capture process of nucleosynthesis in massive stars and the mechanisms that transport recently processed material up into the photospheric region. We discuss problems with the atomic data and model atmospheres that need to be addressed before theoretically derived elemental abundances from pre-supernova nucleosynthesis calculations can be tested by comparison with abundances determined from observations of cool, massive stars.

Wahlgren, Glenn M.↗
NASA NTRS1998

Computational Studies of the Interaction of H/H2 with Diamond and Silicon Surfaces

The interaction of hydrogen atoms and molecules with diamond and silicon surfaces is important in several important applications. Two areas that we are interested are: 1) tribology (molecular level friction) and 2) the role of H atoms in silicon chemical vapor deposition (CVD). In the tribology area, H atoms can be used to tie off dangling bonds, which otherwise form bonds between adjacent surfaces, and lead to resistance to sliding the surfaces by each other. Processes which are important in understanding molecular level friction include barriers to addition of H/H2 to the surface and barriers to migration of H atoms on the surface. In the silicon CVD area, we have studied the process of H2 elimination from the 100 surface of silicon. Cluster models for the dime surfaces of diamond are presented. The unrelaxed 100 surface has carbene like surface carbon atoms; however, for the relaxed surface these dimerize to give rows of surface dimers and there is a significant amount of p bonding between the radical orbitals of the dimer. The 110 surface has zig-zag rows of carbon atoms with a dangling bond on each carbon atom. These dangling bonds are hybridized away from each other and thus interact less strongly than for the 100 surface. Finally, the 111 surface has surface C atoms arranged in a triangular pattern and the surface dangling bonds are well separated from each other (second nearest neighbor distance) leading to almost no interaction between adjacent dangling bonds. These qualitative features may be quantified by computing the overlap of adjacent dangling bonds in a GVB(pp) calculation. The overlaps are 0.462, 0.292, and 0.016 for the diamond 100, 110, and 111 surfaces, respectively.

Walch, Stephen P.↗
NASA NTRSDate not supplied

Experimental and Theoretical Needs for the JWST Early Release Science Program on Radiative Feedback from Massive Stars (PDRs4ALL): III. A Quantum Chemistry Perspective

Massive stars disrupt their natal molecular cloud material by dissociating molecules, ionizing atoms and molecules, and heating the gas and dust. These processes drive the evolution of interstellar matter in our Galaxy and throughout the Universe from the era of vigorous star formation at z=1-3 to the present day. Much of this interaction occurs in Photo- Dissociation Regions (PDRs) where far-ultraviolet photons of these stars create a largely neutral, but warm region of gas and dust. PDR emission dominates the IR spectra of starforming galaxies and provides a unique tool to study the physical and chemical processes that are relevant for inter- and circumstellar media including diffuse clouds, molecular cloud and protoplanetary disk surfaces, and starburst galaxies. The ERS program ID1288 is dedicated to provide template data as well as data processing and analysis tools for PDRs. To this end, it will observe the Orion Bar, the proto-typical PDR situated in the nearby Orion Nebula, using NIRSpec IFU, MIRI IFU, and NIRCAM and MIRI imaging. These observations will, for the first time, spatially resolve and perform a tomography of the PDR, revealing the individual IR spectral signatures from the key zones and sub-regions within the ionized gas, the PDR, and the molecular cloud. Quantum chemistry can be used to determine molecular data such as ionization potentials, chemical reaction rates, electronic spectra, dissociation energies, channels, and branching ratios, etc. These are often used in synergy with experiment to take advantage of the strengths of each approach. An area of active research is modeling the infrared (IR) emission spectra produced by PAH molecules, including the effects of anharmonicity. This will be important in the interpretation of JWST data which will yield higher-resolution spectral data compared to Spitzer or ISO. Quantum chemistry methods can compute accurate anharmonic IR absorption spectra of PAH molecules up to about 25 C atoms, and the results have been benchmarked against high-resolution experimental spectra. These feed into a quantum Monte Carlo (QMC) approach to generate temperature-dependent anharmonic IR emission spectra and then used to generate fully anharmonic cascade emission IR spectra of PAH molecules -- the very type of spectra that JWST will observe. Work continues to extend these methods to larger PAH molecules. We will discuss the current state of this work, as well as

Timothy Lee↗
NASA NTRS2015

Opportunities for Laboratory Opacity Chemistry Studies to Facilitate Characterization of Young Giant Planets and Brown Dwarfs

The thermal emission spectra of young giant planets is shaped by the opacity of atoms and molecules residing in their atmospheres. While great strides have been made in improving the opacities of important molecules, particularly NH3 and CH4, at high temperatures, much more work is needed to understand the opacity and chemistry of atomic Na and K. The highly pressure broadened fundamental band of Na and K in the optical stretches into the near-infrared, strongly influencing the shape of the Y and K spectral bands. Since young giant planets are bright in these bands it is important to understand the influences on the spectral shape. Discerning gravity and atmospheric composition is difficult, if not impossible, without both good atomic opacities as well as an excellent understanding of the relevant atmospheric chemistry. Since Na and K condense at temperatures near 500 to 600 K, the chemistry of the condensation process must be well understood as well, particularly any disequilibrium chemical pathways. Comparisons of the current generation of sophisticated atmospheric models and available data, however, reveal important shortcomings in the models. We will review the current state of observations and theory of young giant planets and will discuss these and other specific examples where improved laboratory measurements for alkali compounds have the potential of substantially improving our understanding of these atmospheres.

chemistry of the condensation process↗
NASA NTRS2006

Ion Milling On Steps for Fabrication of Nanowires

Arrays of nanowires having controlled dimensions can now be fabricated on substrates, optionally as integral parts of multilayer structures, by means of a cost-effective, high-yield process based on ion milling on steps. Nanowires made, variously, of semiconductors or metals are needed as components of sensors and high-density electronic circuits. Unlike prior processes used to fabricate nanowires, the present process does not involve electron-beam lithography, manipulation of nanoscopic objects by use of an atomic-force microscope, or any other technique that is inherently unsuitable for scaling up to mass production. In comparison with the prior processes, this process is rapid and simple. Wires having widths as small as a few tens of nanometers and lengths as long as millimeters have been fabricated by use of this process. The figure depicts a workpiece at different stages of the process. A silicon dioxide substrate is coated with a photoresist or poly(methyl methacrylate) [PMMA] to a thickness of as much as 500 nm. The photoresist or PMMA is patterned to form edges where wires are to be formed. A metal - either Pt or Ti - is deposited, by sputtering, to a thickness of as much as 200 nm. By ion milling at normal incidence, the thickness of the metal deposit is reduced until the only metal that remains is in the form of wall-like nanowires along the edges of the photoresist or PMMA. Finally, an oxygen plasma is used to remove the photoresist or PMMA, leaving only the nanowires on the substrate.

Yun, Minhee↗
NASA NTRS1988

Compact imaging spectrometer for induced emissions

On the basis of spectral measurements made from the Space Shuttle and on models of the possible Space Station external environment, it appears likely that, even at the planned altitudes of Space Station, photon emissions will be induced. These emissions will occur to some degree throughout the ultraviolet-visible-infrared spectrum. The emissions arise from a combination of processes including gas phase collisions between relatively energetic ambient and surface emitted or re-emitted atoms or molecules, where the surface raises some species to excited energy states. At the present time it is not possible to model these processes or the anticipated intensity levels with any accuracy, as a number of fundamental parameters needed for such calculations are still poorly known or unknown. However, it is possible that certain spectral line and band features will exceed the desired goal that concomitant emissions not exceed the natural zodiacal background. Also, in the near infrared and infrared, it appears that this level will be exceeded to a significant degree. Therefore it will be necessary to monitor emission levels in the vicinity of Space Station, both in order to establish the levels and to better model the environment. A small spectrometer is briefly described which is suitable for monitoring the spectrum from 1200 A to less than or equal to 12,000 A. The instrument uses focal plane array detectors to image this full spectral range simultaneously. The spectral resolution is 4 to 12 A, depending on the portion of the wavelength range.

Torr, Douglas G.↗
NASA NTRS2010

Suppressing Loss of Ions in an Atomic Clock

An improvement has been made in the design of a compact, highly stable mercury- ion clock to suppress a loss of ions as they are transferred between the quadrupole and higher multipole ion traps. Such clocks are being developed for use aboard spacecraft for navigation and planetary radio science. The modification is also applicable to ion clocks operating on Earth: indeed, the success of the modification has been demonstrated in construction and operation of a terrestrial breadboard prototype of the compact, highly stable mercury-ion clock. Selected aspects of the breadboard prototype at different stages of development were described in previous NASA Tech Briefs articles. The following background information is reviewed from previous articles: In this clock as in some prior ion clocks, mercury ions are shuttled between two ion traps, one a 16- pole linear radio-frequency trap, while the other is a quadrupole radio-frequency trap. In the quadrupole trap, ions are tightly confined and optical state selection from a 202Hg lamp is carried out. In the 16-pole trap, the ions are more loosely confined and atomic transitions are interrogated by use of a microwave beam at approximately 40.507 GHz. The trapping of ions effectively eliminates the frequency pulling that would otherwise be caused by collisions between clock atoms and the wall of a gas cell. The shuttling of the ions between the two traps enables separation of the state-selection process from the clock microwave-resonance process, so that each of these processes can be optimized independently of the other. This is similar to the operation of an atomic beam clock, except that with ions the beam can be halted and reversed as ions are shuttled back and forth between the two traps. When the two traps are driven at the same radio frequency, the strength of confinement can be reduced near the junction between the two traps, depending upon the relative phase of the RF voltage used to operate each of the two traps, and can cause loss of ions during each transit between the traps and thereby cause loss of the 40.507-GHz ion-clock resonance signal. The essence of the modification is to drive the two traps at different frequencies typically between 1.5 and 2 MHz for the quadrupole trap and a frequency a few hundred kHz higher for the 16- pole trap. A frequency difference of a few hundred kHz ensures that the ion motion caused by the trapping electric fields is small relative to the diameter of the traps. Unlike in the case in which both traps are driven at the same frequency, the trapping electric fields near the junction are not zero at all times; instead, the regions of low electric field near the junction open and close at the difference frequency. An additional benefit of making the 16-pole trap operate at higher frequency is that the strength or depth of the multipole trap can be increased independent of the quadrupole ion trap.

Prestage, John↗
NASA NTRS2020

Global-scale distribution of ozone in the remote troposphere from ATom and HIPPO airborne field missions

Ozone is a key constituent of the troposphere, where it drives photochemical processes, impacts air quality, and acts as a climate forcer. Large-scale in situ observations of ozone commensurate with the grid resolution of current Earth system models are necessary to validate model outputs and satellite retrievals. In this paper, we examine measurements from the Atmospheric Tomography (ATom; four deployments in 2016–2018) and the HIAPER Pole-to-Pole Observations (HIPPO; five deployments in 2009–2011) experiments, two global-scale airborne campaigns covering the Pacific and Atlantic basins. ATom and HIPPO represent the first global-scale, vertically resolved measurements of O3 distributions throughout the troposphere, with HIPPO sampling the atmosphere over the Pacific and ATom sampling both the Pacific and Atlantic. Given the relatively limited temporal resolution of these two campaigns, we first compare ATom and HIPPO ozone data to longer-term observational records to establish the representativeness of our dataset. We show that these two airborne campaigns captured on average 53 %, 54 %, and 38 % of the ozone variability in the marine boundary layer, free troposphere, and upper troposphere–lower stratosphere (UTLS), respectively, at nine well-established ozonesonde sites. Additionally, ATom captured the most frequent ozone concentrations measured by regular commercial aircraft flights in the northern Atlantic UTLS. We then use the repeated vertical profiles from these two campaigns to confirm and extend the existing knowledge of tropospheric ozone spatial and vertical distributions throughout the remote troposphere. We highlight a clear hemispheric gradient, with greater ozone in the Northern Hemisphere, consistent with greater precursor emissions and consistent with previous modeling and satellite studies. We also show that the ozone distribution below 8 km was similar in the extra-tropics of the Atlantic and Pacific basins, likely due to zonal circulation patterns. However, twice as much ozone was found in the tropical Atlantic as in the tropical Pacific, due to well-documented dynamical patterns transporting continental air masses over the Atlantic. Finally, we show that the seasonal variability of tropospheric ozone over the Pacific and the Atlantic basins is driven year-round by transported continental plumes and photochemistry, and the vertical distribution is driven by photochemistry and mixing with stratospheric air. This new dataset provides additional constraints for global climate and chemistry models to improve our understanding of both ozone production and loss processes in remote regions, as well as the influence of anthropogenic emissions on baseline ozone.

ATom, aircraft profiles, Atlantic pollution, ozone↗