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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Spectroscopic analysis of radiation-generated changes in tensile properties of a polyetherimide film

The effects of electron radiation on Ultem, a polyetherimide were studied for doses from 2 x 10 to the 9th power to 6 x 10 to the 9th power rad. Specimens were studied for tensile property testing and for electron paramagnetic resonance and infrared spectroscopic measurements of molecular structure. A Faraday cup design and a method for remote temperature measurement were developed. The spectroscopic data show that radiation caused dehydrogenation of methyl groups, rupture of main-chain ether linkage, and opening of imide rings, all to form radicals and indicate that the so-formed atomic hydrogen attached to phenyl radicals, but not to phenoxyl radicals, which would have formed hydroxyls. The observed decays of the radiation-generated phenoxyl, gem-dimethyl, and carbonyl radicals were interpreted as a combining of the radicals to form crosslinking. This crosslinking is the probable cause of the major reduction in the elongation of the tensile specimens after irradiation. Subsequent classical solubility tests indicate that the irradiation caused massive crosslinking.

Long, E. R., Jr.↗
NASA NTRS1987

Pulsed source of energetic atomic oxygen

A pulsed high flux source of nearly monoenergetic atomic oxygen was designed, built, and successfully demonstrated. Molecular oxygen at several atmospheres pressure is introduced into an evacuated supersonic expansion nozzle through a pulsed molecular beam valve. An 18 J pulsed CO2 TEA laser is focused to intensities greater than 10(9) W/sq cm in the nozzle throat to generate a laser-induced breakdown. The resulting plasma is heated in excess of 20,000 K by a laser supported detonation wave, and then rapidly expands and cools. Nozzle geometry confines the expansion to provide rapid electron-ion recombination into atomic oxygen. Average O atom beam velocities from 5 to 13 km/s were measured at estimated fluxes to 10(18) atoms per pulse. Preliminary materials testing has produced the same surface oxygen enrichment in polyethylene samples as obtained on the STS-8 mission. Scanning electron microscope examinations of irradiated polymer surfaces reveal an erosion morphology similar to that obtained in low Earth orbit, with an estimated mass removal rate of approx. 10(-24) cu cm/atom. The characteristics of the O atom source and the results of some preliminary materials testing studies are reviewed.

Caledonia, George E.↗
NASA NTRS1989

New organic and organometallic salts for second-order nonlinear optics

A series of organometallic and organic salts, in which the cation has been designed to have a large molecular hyperpolarizability, has been prepared. Variation of the counterion (anion) in many cases leads to materials with large powder second harmonic generation (SHG) efficiencies, the highest of which is roughly 2000 times that of a urea reference.

Marder, Seth R.↗
NASA NTRS1991

Catalysis and biocatalysis program

The annual report presents the fiscal year (FY) 1990 research activities and accomplishments for the Catalysis and Biocatalysis Program of the Advanced Industrial Concepts Division (AICD), Office of Industrial Technologies of the Department of Energy (DOE). The mission of the AICD is to create a balanced program of high risk, long term, directed interdisciplinary research and development that will improve energy efficiency and enhance fuel flexibility in the industrial sector. The Catalysis and Biocatalysis Program's technical activities were organized into five work elements: the Molecular Modeling and Catalysis by Design element; the Applied Microbiology and Genetics element; the Bioprocess Engineering element; the Separations and Novel Chemical Processes element; and the Process Design and Analysis element.

Source record↗
NASA NTRS2006

Design and Development of a Scanning Airborne Direct Detection Doppler Lidar System

In the fall of 2005 we began developing an airborne scanning direct detection molecular Doppler lidar. The instrument is being built as part of the Tropospheric Wind Lidar Technology Experiment (TWiLiTE), a three year project selected by the NASA Earth Sun Technology Office under the Instrument Incubator Program. The TWiLiTE project is a collaboration involving scientists and engineers from NASA Goddard Space Flight Center, NOAA ESRL, Utah State University Space Dynamics Lab, Michigan Aerospace Corporation and Sigma Space Corporation. The TWiLiTE instrument will leverage significant research and development investments made by NASA Goddard and it's partners in the past several years in key lidar technologies and sub-systems (lasers, telescopes, scanning systems, detectors and receivers) required to enable spaceborne global wind lidar measurement. These sub-systems will be integrated into a complete molecular direct detection Doppler wind lidar system designed for autonomous operation on a high altitude aircraft, such as the NASA WB57. The WB57 flies at an altitude of 18 km and from this vantage point the nadir viewing Doppler lidar will be able to profile winds through the full troposphere. The TWiLiTE integrated airborne Doppler lidar instrument will be the first demonstration of a airborne scanning direct detection Doppler lidar and will serve as a critical milestone on the path to a future spaceborne tropospheric wind system. In addition to being a technology testbed for space based tropospheric wind lidar, when completed the TWiLiTE high altitude airborne lidar will be used for studying mesoscale dynamics and storm research (e.g. winter storms, hurricanes) and could be used for calibration and validation of satellite based wind systems such as ESA's Aeolus Atmospheric Dynamics Mission. The TWiLiTE Doppler lidar will have the capability to profile winds in clear air from the aircraft altitude of 18 km to the surface with 250 m vertical resolution and < 2mls velocity accuracy.

Gentry, Bruce↗
NASA NTRS2021

Anion-Assisted Delivery of Multivalent Cations to Inert Electrodes

To understand and control key electrochemical processes - metal plating, corrosion, intercalation, etc. requires molecular-scale details of the active species at electrochemical interfaces and their mechanisms for de-solvation from the electrolyte. Using free energy sampling techniques we reveal the interfacial speciation of divalent cations in ether-based electrolytes and mechanisms for their delivery to an inert graphene electrode interface. Surprisingly, we find that anion solvophobicity drives a high population of anion-containing species to the interface that facilitate the delivery of divalent cations, even to negatively charged electrodes. Our simulations indicate that cation desolvation is greatly facilitated by cation-anion coupling. We propose anion solvophobicity as a molecular-level descriptor for rational design of electrolytes with increased efficiency for electrochemical processes limited by multivalent cation desolvation.

Electrochemical interfaces↗
NASA NTRS2025

VIPER’s Mass Spectrometer observing lunar operations (MSolo)

The Volatiles Investigating Polar Exploration Rover (VIPER) is a lunar volatiles detection and measurement mission that will land on Mons Mouton near Nobile crater, close to the Moon’s south pole. One of the analytical instruments embedded within the rover is the Mass Spectrometer observing lunar operations (MSolo) instrument. VIPER’s data will ultimately be used to create lunar water resource maps that may enable a sustained presence on the lunar surface. As VIPER navigates several kilometers of terrain, its onboard analytical instrumentation will characterize the presence of volatiles along the traverse path and identify candidate locations for drilling. Upon selection of a drilling site, the rover will position itself and deploy an auguring, percussive drill down to a meter depth. Upon extraction, regolith cuttings captured by the auger are deposited on the surface; an activity that will initiate the release of any volatile gases that are subsequently detected and quantified by MSolo. MSolo is designed to identify low-molecular-weight volatiles (between m/z 1-100) with unit mass resolution. Volatiles of interest include D/H and O18/O16 bearing species, including possible water contained within the lunar regolith. MSolo is a modified, commercial off-the-shelf (COTS) system, meaning the instrument is based on a commercially available unit that has been ruggedized for space applications.

MSolo↗
NASA NTRS2004

Molecular Microbial Analyses of the Mars Exploration Rovers Assembly Facility

During space exploration, the control of terrestrial microbes associated with robotic space vehicles intended to land on extraterrestrial solar system bodies is necessary to prevent forward contamination and maintain scientific integrity during the search for life. Microorganisms associated with the spacecraft assembly environment can be a source of contamination for the spacecraft. In this study, we have monitored the microbial burden of air samples of the Mars Exploration Rovers' assembly facility at the Kennedy Space Center utilizing complementary diagnostic tools. To estimate the microbial burden and identify potential contaminants in the assembly facility, several microbiological techniques were used including culturing, cloning and sequencing of 16S rRNA genes, DNA microarray analysis, and ATP assays to assess viable microorganisms. Culturing severely underestimated types and amounts of contamination since many of the microbes implicated by molecular analyses were not cultivable. In addition to the cultivation of Agrobacterium, Burkholderia and Bacillus species, the cloning approach retrieved 16s rDNA sequences of oligotrophs, symbionts, and y-proteobacteria members. DNA microarray analysis based on rational probe design and dissociation curves complemented existing molecular techniques and produced a highly parallel, high resolution analysis of contaminating microbial populations. For instance, strong hybridization signals to probes targeting the Bacillus species indicated that members of this species were present in the assembly area samples; however, differences in dissociation curves between perfect-match and air sample sequences showed that these samples harbored nucleotide polymorphisms. Vegetative cells of several isolates were resistant when subjected to treatments of UVC (254 nm) and vapor H202 (4 mg/L). This study further validates the significance of non-cultivable microbes in association with spacecraft assembly facilities, as our analyses have identified several non-cultivable microbes likely to contaminate the surfaces of spacecraft hardware.

microbial diversity MER 16S rDNA DNA microarray sp↗
NASA NTRS2004

Concept for Inclusion of Analytical and Computational Capability in Optical Plume Anomaly Detection (OPAD) for Measurement of Neutron Flux

Researchers are working on many fronts to make possible high-speed, automated classification and quantification of constituent materials in numerous environments. NASA's Marshall Space Flight Center has implemented a system for rocket engine flowfields/plumes. The Optical Plume Anomaly Detector (OPAD) system was designed to utilize emission and absorption spectroscopy for monitoring molecular and atomic particulates in gas plasma. An accompanying suite of tools and analytical package designed to utilize information collected by OPAD is known as the Engine Diagnostic Filtering System (EDiFiS). The current combination of these systems identifies atomic and molecular species and quantifies mass loss rates in H2/O2 rocket plumes. Capabilities for real-time processing are being advanced on several fronts, including an effort to hardware encode components of the EDiFiS for health monitoring and management. This paper addresses the OPAD with its tool suites, and discusses what is considered a natural progression: a concept for taking OPAD to the next logical level of high energy physics, incorporating fermion and boson particle analyses in measurement of neutron flux.

Patrick, Marshall Clint↗
NASA NTRS2004

Concept for Inclusion of Analytical and Computational Capability in Optical Plume Anomaly Detection (OPAD) for Measurement of Neutron Flux

Researchers are working on many konts to make possible high speed, automated classification and quantification of constituent materials in numerous environments. NASA's Marshall Space Flight Center has implemented a system for rocket engine flow fields/plumes; the Optical Plume Anomaly Detection (OPAD) system was designed to utilize emission and absorption spectroscopy for monitoring molecular and atomic particulates in gas plasma. An accompanying suite of tools and analytical package designed to utilize information collected by OPAD is known as the Engine Diagnostic Filtering System (EDIFIS). The current combination of these systems identifies atomic and molecular species and quantifies mass loss rates in H2/O2 rocket plumes. Additionally, efforts are being advanced to hardware encode components of the EDIFIS in order to address real-time operational requirements for health monitoring and management. This paper addresses the OPAD with its tool suite, and discusses what is considered a natural progression: a concept for migrating OPAD towards detection of high energy particles, including neutrons and gamma rays. The integration of these tools and capabilities will provide NASA with a systematic approach to monitor space vehicle internal and external environment.

Patrick, M. Clinton↗
NASA NTRS2026

Thermoplastic Matrix Composite Design for Cryotanks Using Multiscale Modeling and Bayesian Optimization

Designing lightweight, robust cryogenic storage tanks is critical for future launch vehicles, in-space propellant storage, and hydrogen powered aircraft. This work presents a multiscale modeling and Bayesian optimization framework for the design of thermoplastic matrix composite cryotanks. Molecular dynamics simulations are first used to determine temperature-dependent constituent properties for candidate thermoplastic matrices, which are homogenized to the lamina scale using NASA’s Multiscale Analysis Tool (NASMAT). These lamina properties, in combination with laminate family generation rules, are evaluated in HyperX structural optimization software to identify stacking sequences that meet all cryogenic load requirements. A Bayesian optimization framework is applied, with HyperX in the loop (via the HyperX API) to efficiently search across material and laminate design variables, yielding an optimized cryotank configuration with significant reductions in design cycle time compared to exhaustive search approaches.

thermoplastics↗
NASA NTRS1993

Shuttle primary reaction control system engine exhaust plume contamination effects

Space Shuttle proximity operations constitute an important part of the SSF induced external environment. The impingement of primary reaction control system (PRCS) engine plumes on SSF functional surfaces during docking or berthing and separation leads to concerns about molecular contamination and high speed particle impact. The Shuttle Plume Impingement flight Experiment (SPIE) was designed to provide a direct measure of both the molecular contamination and particle impact rates produced by Shuttle PRCS engines in the LEO environment. The measured permanent deposition produced by PRCS engine firings was less than that assumed in current SSF programatic assessments. Only two to three possible high velocity particle impact pits were observed on the RMS end effector hardware.

Koontz, Steve↗
NASA NTRS1998

Nanotechnology Review: Molecular Electronics to Molecular Motors

Reviewing the status of current approaches and future projections, as already published in scientific journals and books, the talk will summarize the direction in which computational and experimental nanotechnologies are progressing. Examples of nanotechnological approaches to the concepts of design and simulation of carbon nanotube based molecular electronic and mechanical devices will be presented. The concepts of nanotube based gears and motors will be discussed. The above is a non-technical review talk which covers long term precompetitive basic research in already published material that has been presented before many US scientific meeting audiences.

Srivastava, Deepak↗
NASA NTRS2004

DNA in a Tunnel: A Comfy Spot for Recognition - or -The Structure of BsoBI Complexed with DNA. What can we Learn about Function via Structure Determination and how can this be Applied to Bone or Muscle Biology?

The structure and function of a biologically active molecule are related. To understand its function, it is necessary (but not always sufficient) to know the structure of the molecule. There are many ways of relating the molecular function with the structure. Mutation analysis can identify pertinent amino acids of an enzyme, or alternatively structure comparison of the of two similar molecules with different function may lead to understanding which parts are responsible for a functional aspect, or a series of "structural cartoons" - enzyme structure, enzyme plus substrate, enzyme with transition state analog, and enzyme with product - may give insight in the function of a molecule. As an example we will discuss the structure and function of the restriction enzyme BsoBI from Bacillus stearothemzophilus in complex with its cognate DNA. The enzyme forms a unique complex with DNA in that it completely encircles the DNA. The structure reveals the enzyme-DNA contacts, how the DNA is distorted compared with the canonical forms, and elegantly shows how two distinct DNA sequences can be recognized with the same efficiency. Based on the structure we may also propose a hypothesis how the enzymatic mechanism works. The knowledge gained thru studies such as this one can be used to alter the function by changing the molecular structure. Usually this is done by design of inhibitors specifically active against and fitting into an active site of the enzyme of choice. In the case of BsoBI one of the objectives of the study was to alter the enzyme specificity. In bone biology there are many candidates available for molecular study in order to explain, alter, or (temporarily) suspend activity. For example, the understanding of a pathway that negatively regulates bone formation may be a good target for drug design to stimulate bone formation and have good potential as the basis for new countermeasures against bone loss. In principle the same approach may aid muscle atrophy, radiation damage, immune response changes and other risks identified for long-duration Space travel.

vanderWoerd, Mark↗
NASA NTRS2021

Experiment for Cryogenic Large-Aperture Intensity Mapping: Instrument Design

The EXperiment for Cryogenic Large-Aperture Intensity Mapping (EXCLAIM) is a balloon-borne tele-33scope designed to survey star formation in windows from the present to z=3.5. During this time, the rate of star34formation dropped dramatically, while dark matter continued to cluster. EXCLAIM maps the redshifted emission35of singly-ionized carbon lines and carbon monoxide using intensity mapping, which permits a blind and complete36survey of emitting gas through statistics of cumulative brightness fluctuations. EXCLAIM achieves high sensitivity37using a cryogenic telescope coupled to six integrated spectrometers employing kinetic inductance detectors covering38420540GHz with spectral resolving power R=512and angular resolution⇡40. The spectral resolving power and39cryogenic telescope allow the survey to access dark windows in the spectrum of emission from the upper atmosphere.40EXCLAIM will survey305 deg2in the Sloan Digital Sky Survey Stripe 82 field from a conventional balloon flight41in 2023. EXCLAIM will also map several galactic fields to study carbon monoxide and neutral carbon emission as42tracers of molecular gas. Here, we summarize the design phase of the mission.

Eric R Switzer↗
NASA NTRSDate not supplied

Fracture Prediction of Epoxy Resin using Morse Bond Potential Embedded in GAFF using Molecular Dynamics Simulations

A generic method is developed to investigate the fracture behavior of an epoxy resin using atomistic molecular (MD) dynamics simulations. The epoxy system consisted of the stoichiometric mixture of tetra-/tri-functional epoxies and di-functional hardener molecules and was cured with a step-growth crosslinking algorithm. A hybrid force field (hFF) in which Morse bond function were added in second generation-general Amber Force Field (GAFF2) was used to capture bond breaking of the crosslinked epoxy system under uniaxial deformation. The Morse bond parameters for covalent bonds in the crosslinked backbone were fit to dissociation curves computed by CASPT2/6-311+G**. After the systems in various crosslink densities were obtained and equilibrated, the full length of stress-strain (𝜎-𝜀) curve was produced including initial elastic regime, yielding, plastic flow, strain hardening, and progressive failure. We found that the hFF was effective in studying the dissociation of crosslinked polymers and understanding the failure mechanism. In the results, the hFF delivered the same elastic property obtained from the unmodified force field GAFF. The stress-strain curve, however, began to be distinct in the plastic regime due to broken covalent bonds capable of altering the tensile behavior. Once the stress reached maximum, it progressively decreased until the ultimate failure (𝜎=0). Since hFF employed the existing GAFF functions with including a minimal change of its bond potential, this approach is easier to perform and computationally more efficient for unveiling the fracture behavior of polymer materials at the molecular level than other approaches with reactive force fields. We expect this approach will be utilized to accelerate the material-by-design process for thermosets by incorporate data from molecular models.

Changwoon Jang↗
NASA NTRS1978

An Induced Environment Contamination Monitor for the Space Shuttle

The Induced Environment Contamination Monitor (IECM), a set of ten instruments integrated into a self-contained unit and scheduled to fly on shuttle Orbital Flight Tests 1 through 6 and on Spacelabs 1 and 2, is described. The IECM is designed to measure the actual environment to determine whether the strict controls placed on the shuttle system have solved the contamination problem. Measurements are taken during prelaunch, ascent, on-orbit, descent, and postlanding. The on-orbit measurements are molecular return flux, background spectral intensity, molecular deposition, and optical surface effects. During the other mission phases dew point, humidity, aerosol content, and trace gas are measured as well as optical surface effects and molecular deposition. The IECM systems and thermal design are discussed. Preflight and ground operations are presented together with associated ground support equipment. Flight operations and data reduction plans are given.

Miller, E. R.↗
NASA NTRS2004

Nanoscale Bio-engineering Solutions for Space Exploration: The Nanopore Sequencer

Characterization of biological systems at the molecular level and extraction of essential information for nano-engineering design to guide the nano-fabrication of solid-state sensors and molecular identification devices is a computational challenge. The alpha hemolysin protein ion channel is used as a model system for structural analysis of nucleic acids like DNA. Applied voltage draws a DNA strand and surrounding ionic solution through the biological nanopore. The subunits in the DNA strand block ion flow by differing amounts. Atomistic scale simulations are employed using NASA supercomputers to study DNA translocation, with the aim to enhance single DNA subunit identification. Compared to protein channels, solid-state nanopores offer a better temporal control of the translocation of DNA and the possibility to easily tune its chemistry to increase the signal resolution. Potential applications for NASA missions, besides real-time genome sequencing include astronaut health, life detection and decoding of various genomes.

Stolc, Viktor↗