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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Development of a Test for Evaluation of the Hydrothermal Stability of Sorbents Used in Closed-Loop CO2 Removal Systems

The International Space Station Carbon Dioxide Removal Assembly uses zeolite 5A molecular sieve material packed into beds for the capture of cabin CO2. The beds are cyclically heated to drive off the CO2 and restore the removal capacity. Over time, the sorbent material has been found to break down resulting in dust that restricts flow through the beds. Humidity adsorbed in the 5A zeolite when it is heated is a suspected cause of this sorbent degradation. To evaluate the impact of adsorbed water during thermal cycling, the Hydrothermal Stability Test was developed. The test configuration provides comparative side-by-side flow restriction data for two sorbent materials at specifically controlled humidity levels. While the initial focus of the testing is on 5A zeolite materials currently used on the ISS, the system will also be used to evaluate future candidate materials. This paper describes the approach, the test system, current results, and future testing.

Knox, James C.↗
NASA NTRSDate not supplied

Preservation of Previously Unsampled Primordial Isotopic Components in Ryugu and Bennu Samples

Ivuna-type (CI) carbonaceous chondrites are primitive meteorites whose relative elemental abundances closely match the solar photosphere 1 , making them critical benchmarks for the bulk chemical and isotopic composition of the planet-forming disk. Recent sample-return missions to Ryugu 2 and Bennu 3 have enabled direct laboratory analysis of these rubble-pile CI-like asteroids 4 , formed from the reaccumulated fragments of once-larger parent bodies. As such, they may retain a broader spectrum of primordial nucleosynthetic components than is preserved in known meteorites. Here, we report the nucleosynthetic compositions of silicon (μ 30 Si), magnesium (μ 26 Mg*), and iron (μ 54 Fe), three of the four most abundant planet-building elements, in samples from Ryugu and Bennu, along with the newly discovered Oued Chebeika 002 CI chondrite 5 . In contrast to the isotopic homogeneity of CI chondrites, Ryugu and Bennu preserve resolvable μ 26 Mg* and μ 30 Si heterogeneity, revealing μ 26 Mg*- and μ 30 Si-rich nucleosynthetic components not sampled in meteorites. These components may reflect the preservation of previously unsampled primordial isotopic signals, prior to thermal processing 6,7 and late infall of primordial molecular cloud material to the outer disk 8,9 . Additionally, Ryugu particle C0002 exhibits a μ 26 Mg*-poor and μ 54 Cr-rich signature, consistent with incorporation of presolar material from massive supernovae 10,11 . Ryugu and Bennu samples define one end of a μ 54 Fe–μ 30 Si array among carbonaceous asteroid materials 9 , suggesting that the isotopic compositions of these asteroidal materials reflect mixing between early disk isotopic components identified in this study and material derived from the outermost disk 9 . This observation demonstrates that materials with solar chemical abundances can nonetheless exhibit markedly distinct nucleosynthetic signatures. Thus, Ryugu and Bennu samples are critical records of nucleosynthetic diversity among carbonaceous asteroids and underscore the value of sample-return missions in accessing primitive isotopic signatures absent from meteorite collections.

Martin Bizzarro↗
DOE OSTI2021

Coupled cluster Green's function: Past, Present, and Future

Coupled cluster Green's function (CCGF) approach has drawn much attention in recent years for targeting the molecular and material electronic structure problems from a many-body perspective in a systematically improvable way. Here, we will present a brief review of the history of how the Green's function method evolved with the wavefunction, early and recent development of CCGF theory, and more recently scalable CCGF software development. We will highlight some of the recent applications of CCGF approach and propose some potential applications that would emerge in the near future.

Peng, Bo↗
NASA NTRS2000

The Combined Influence of Molecular Weight and Temperature on the Aging and Viscoelastic Response of a Glassy Thermoplastic Polyimide

The effect of molecular weight on the viscoelastic performance of an advanced polymer (LaRC-SI) was investigated through the use of creep compliance tests. Testing consisted of short-term isothermal creep and recovery with the creep segments performed under constant load. The tests were conducted at three temperatures below the glass transition temperature of five materials of different molecular weight. Through the use of time-aging-time superposition procedures, the material constants, material master curves and aging-related parameters were evaluated at each temperature for a given molecular weight. The time-temperature superposition technique helped to describe the effect of temperature on the timescale of the viscoelastic response of each molecular weight. It was shown that the low molecular weight materials have higher creep compliance and creep rate, and are more sensitive to temperature than the high molecular weight materials. Furthermore, a critical molecular weight transition was observed to occur at a weight-average molecular weight of M (bar) (sub w) 25000 g/mol below which, the temperature sensitivity of the time-temperature superposition shift factor increases rapidly. The short-term creep compliance data were used in association with Struik's effective time theory to predict the long-term creep compliance behavior for the different molecular weights. At long timescales, physical aging serves to significantly decrease the creep compliance and creep rate of all the materials tested.

Nicholson, Lee M.↗
NASA NTRS2000

Molecular Weight Effects on the Viscoelastic Response of a Polyimide

The effect of molecular weight on the viscoelastic performance of an advanced polymer (LaRC -SI) was investigated through the use of creep compliance tests. Testing consisted of short-term isothermal creep and recovery with the creep segments performed under constant load. The tests were conducted at three temperatures below the glass transition temperature of each material with different molecular weight. Through the use of time-aging-time superposition procedures, the material constants, material master curves and aging-related parameters were evaluated at each temperature for a given molecular weight. The time-temperature superposition technique helped to describe the effect of temperature on the timescale of the viscoelastic response of each molecular weight. It was shown that the low molecular weight materials have increased creep compliance and creep compliance rate, and are more sensitive to temperature than the high molecular weight materials. Furthermore, a critical molecular weight transition was observed to occur at a weight-average molecular weight of approximately 25000 g/mol below which, the temperature sensitivity of the time-temperature superposition shift factor increases rapidly.

Nicholson, Lee M.↗
DOE OSTI2022

Exploring far-from-equilibrium ultrafast polarization control in ferroelectric oxides with excited-state neural network quantum molecular dynamics

Ferroelectric materials exhibit a rich range of complex polar topologies, but their study under far-from-equilibrium optical excitation has been largely unexplored because of the difficulty in modeling the multiple spatiotemporal scales involved quantum-mechanically. To study optical excitation at spatiotemporal scales where these topologies emerge, we have performed multiscale excited-state neural network quantum molecular dynamics simulations that integrate quantum-mechanical description of electronic excitation and billion-atom machine learning molecular dynamics to describe ultrafast polarization control in an archetypal ferroelectric oxide, lead titanate. Far-from-equilibrium quantum simulations reveal a marked photo-induced change in the electronic energy landscape and resulting cross-over from ferroelectric to octahedral tilting topological dynamics within picoseconds. The coupling and frustration of these dynamics, in turn, create topological defects in the form of polar strings. The demonstrated nexus of multiscale quantum simulation and machine learning will boost not only the emerging field of ferroelectric topotronics but also broader optoelectronic applications.

36 MATERIALS SCIENCE↗
NASA NTRS2006

Vibrational Spectroscopy after OSU - From C2- to Interstellar Polycyclic Aromatic Hydrocarbons

The composition of interstellar ice and dust provides insight into the chemical history of the interstellar medium and early solar system. It is now possible to probe this unique and unusual chemistry and determine the composition of these microscopic interstellar particles which are hundreds to many thousands of light years away thanks to substantial progress in two areas: astronomical spectroscopic techniques in the middle-infrared, the spectral region most diagnostic of chemical composition, and laboratory simulations which realistically reproduce the critical conditions in various interstellar environments. High quality infrared spectra of many different astronomical sources, some associated with giant, dark molecular clouds -the birthplace of stars and planets- and others in more tenuous, UV radiation rich regions are now available. The fundamentals of IR spectroscopy and what comparisons of astronomical IR spectra with laboratory spectra of materials prepared under realistic simulated interstellar conditions tell us about the components of these materials is the subject of this talk. These observations have shown that mixed molecular ices comprised of H2O, CH3OH, CO, NH3 and H2CO contain most of the molecular material in molecular clouds and that gas phase, ionized polycyclic aromatic hydrocarbons (PAHs) are widespread and surprisingly abundant throughout most of the interstellar medium.

Allamandola, Louis J.↗
NASA NTRS2006

Molecular Substrate Alteration by Solar Wind Radiation Documented on Flown Genesis Mission Array Materials

The Genesis spacecraft sampling arrays were exposed to various regimes of solar wind during flight that included: 313.01 days of high-speed wind from coronal holes, 335.19 days of low-speed inter-stream wind, 191.79 days of coronal mass ejections, and 852.83 days of bulk solar wind at Lagrange 1 orbit. Ellipsometry measurements taken at NASA s Johnson Space Center show that all nine flown array materials from the four Genesis regimes have been altered by solar wind exposure during flight. These measurements show significant changes in the optical constant for all nine ultra-pure materials that flew on Genesis when compared with their non-flight material standard. This change in the optical constant (n and k) of the material suggests that the molecular structure of the all nine ultra-pure materials have been altered by solar radiation. In addition, 50 samples of float-zone and czochralski silicon bulk array ellipsometry results were modeled with an effective medium approximation layer (EMA substrate layer) revealing a solar radiation molecular damage zone depth below the SiO2 native oxide layer ranging from 392 to 613 . This bulk solar wind radiation penetration depth is comparable to the depth of solar wind implantation depth of Mg measured by SIMS and SARISA.

Calaway, Michael J.↗
DOE OSTI2026

Post-Modification of Crystalline Peptoid Nanomembranes with Active Nanoparticles for Efficient Photooxidation of a Mustard Gas Simulant

Peptoids (or poly-N-substituted glycines) hold immense potential for assembling into hierarchically structured functional materials via controlled molecular interactions. To create self-assembled materials with tailored functionalities, peptoid sequences are often conjugated with reactive or recognition motifs to enable applications including specific binding, biomimetic catalysis, and fluorescence imaging. However, the direct integration of bulky functional motifs into peptoid sequences can disrupt assembly processes and structural outcomes. Herein, we present a post-modification strategy for functionalizing pre-formed 2D crystalline assemblies. Through introducing clickable active sites, such as azide, alkyne, or thiol groups into a peptoid sequence, site-specific conjugation is achieved post-assembly via efficient “click”-type reactions. This strategy enables the ordered alignment of functional groups and gold nanoparticles (Au NPs) on the surface of 2D peptoid nanomaterials with controlled density, while preserving their high crystallinity and structural integrity. Furthermore, we demonstrated that nanomembranes functionalized with both Au NPs and porphyrins enhance the efficiency and selectivity of the photooxidation of 2-chloroethyl ethyl sulfide, a simulant of sulfur mustard. This innovative strategy lays the groundwork for advancing peptoid-based functional materials across diverse applications, from catalysis to biomedicine.

Chemistry↗
DOE OSTI2025

Applications of ultrafast nano-spectroscopy and nano-imaging with tip-based microscopy

Innovation in microscopy has often been critical in advancing both fundamental science and technological progress. Notably, the evolution of ultrafast near-field optical nano-spectroscopy and nano-imaging has unlocked the ability to image at spatial scales from nanometers to ångströms and temporal scales from nanoseconds to femtoseconds. This approach revealed a plethora of fascinating light-matter states and quantum phenomena, including various species of polaritons, quantum phases, and complex many-body effects. This review focuses on the working principles and state-of-the-art development of ultrafast tip-enhanced and near-field microscopy, integrating diverse optical pump-probe methods across the terahertz (THz) to ultraviolet (UV) spectral ranges. It highlights their utility in examining a broad range of materials, including two-dimensional (2D), organic molecular, and hybrid materials. The review concludes with a spatio-spectral-temporal comparison of ultrafast nano-imaging techniques, both within already well-defined domains, and offering an outlook on future developments of ultrafast tip-based microscopy and their potential to address a wider range of materials.

Zhao, Zhichen [Tongji University, Shanghai (China)↗
NASA NTRS1979

Ortho and parahydrogen in interstellar material

The ortho/para molecular hydrogen ratio in the interstellar medium is considered. It is shown that the ortho/para ratio will be 3:1 in practically all chemical reactions, even at relatively low temperatures. Two examples of exothermic processes that will result in the formation of a 3:1 ortho:para ratio, corresponding to a high-temperature equilibrium, are examined: H2 formation via three-body or surface recombination and catalytic recombination involving electrons and H(-) ions. Gas-phase scrambling ion reactions are also discussed, and it is suggested that virtually all the H2 equilibrated via scrambling reactions involving H(+) and H3(+) ions should exist as parahydrogen in the J ? 0 quantum state. Arguments are given that deuterium cannot interfere with the long scrambling chain that results in parahydrogen formation.

Reeves, R. R.↗
NASA NTRS2008

Method for creating an aeronautic sound shield having gas distributors arranged on the engines, wings, and nose of an aircraft

The present invention blocks and/or attenuates the upstream travel of acoustic disturbances or sound waves from a flight vehicle or components of a flight vehicle traveling at subsonic speed using a local injection of a high molecular weight gas. Additional benefit may also be obtained by lowering the temperature of the gas. Preferably, the invention has a means of distributing the high molecular weight gas from the nose, wing, component, or other structure of the flight vehicle into the upstream or surrounding air flow. Two techniques for distribution are direct gas injection and sublimation of the high molecular weight solid material from the vehicle surface. The high molecular weight and low temperature of the gas significantly decreases the local speed of sound such that a localized region of supersonic flow and possibly shock waves are formed, preventing the upstream travel of sound waves from the flight vehicle.

Corda, Stephen↗
DOE OSTI2024

The mechanical properties of Kel-F 800 (FK-800) as a function of crystallinity

Kel-F 800 is a copolymer of chlorotrifluoroethylene PTFE (75 wt. %) and vinylidene fluoride PVDF (25 wt. %). It has previously been used as a PBX binder for insensitive explosives such as PBX 9502 and LX-17. 3M started production of Kel-F 800 in 1957 and small-scale batches continued to be made until 2002 when production ceased due to environmental concerns regarding one of the emulsifiers used during production. Around 2000 the Kel-F 800 name was changed to FK-800 to avoid trademark concerns because rights to produce another polymer with a similar tradename (Kel-F 81) had been sold to another manufacturer. The Kel designation came from the original manufacturer of PCTFE (Kel-F 81), the Kellog company. To avoid confusion this document will only refer to Kel-F 800. In 2006, production of small-scale batches of Kel-F 800 was started again by 3M in response to customer enquiries. This new material, the first blended batch is referred to as LOT 1, was produced with a different emulsifier than used previously. Because Kel-F 800 is made in a small batch reactor, considerable variation in crystallinity can be expected from lot to lot and year to year. In many ways, this is not significant since the material is dissolved in a solvent (often MEK, ethylmethyl ketone or ethyl acetate) for PBX production purposes. This destroys the as received crystallinity and the resulting crystallinity in the processed material is a function of polymer molecular weight and thermal history. Producing large billets of Kel-F 800 from solvent extraction is not practical and so a compression molding technique has been used above the melting temperature. This method also removes residual crystallinity from the supplied granules. The molecular weight of a polymer can be estimated by several techniques, the most common being gel permittivity chromatography (GPC), size exclusion chromatography (SEC) and shear rheometry measurements of polymer/solvent solutions. Changes in molecular weight will affect the crystallization rate and the maximum crystallinity reached for a specific thermal history. Both references agree that the new LOT 1 material molecular weight falls within the deviation found from averaging previous historical lots of Kel-F 800.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Atomically precise synthesis of oxides with hybrid molecular beam epitaxy

Advancements in synthesis science are revolutionizing the way we create atomically precise materials. Techniques like molecular beam epitaxy (MBE) have set the benchmark for addressing long-standing questions in materials science by leveraging improved control over the composition and structure of existing materials and enabling materials discovery. In this review, we discuss recent innovations in MBE that are redefining its capabilities, enabling the fabrication of ultra-pure, defect-engineered films and the stabilization of metastable phases that were previously unattainable. These advancements are unlocking new opportunities in electronic, magnetic, and quantum technologies, where the precise tuning of material properties is essential for advancing device functionality and performance.

complex oxides↗
NASA NTRS1995

Polarimetry of the Interstellar Medium

The talk will review what is known about the composition of ices and organics in the dense and diffuse interstellar media (ISM). Mixed molecular ices make up a significant fraction of the solid materials in dense molecular clouds and it is now known that thermal and radiation processing of these ices results in the production of more complex organic species, some of which may survive transport into forming stellar systems and the diffuse ISM. Molecular species identified in interstellar ices include H2O, CH3OH, CO, CH4, CO2, and somewhat surprisingly, H2. Theoretical and laboratory studies of the processing of interstellar analog ices containing these species indicate that species like HCO, H2CO, CH3, and NH3 are readily made and should also be present. The irradiation of mixed molecular ices containing these species, when followed by warming, leads to the production of a large variety of more complex species, including ethanol (CH3CH2OH), formamide (HC(=O)NH2), acetamide (CH3C(=O)NH2), nitriles or isonitriles (R-CN or R-NC hexamethylenetetramine (HMT; C6H12N4), a number of polymeric species related to polyoxymethylene [POM,(-CH2O-)n], and ketones {R-C(=O)-R'}. Spectral studies of dust in the diffuse ISM indicate the presence of fairly complex organics, some of which may be related to the organics produced in dense molecular clouds. Spectral comparisons indicate that the diffuse ISM organics may be quite similar to meteoritic kerogens, i.e. they may consist largely of aromatic moieties interlinked by short aliphatic bridges. Interestingly, recent evidence indicates that the galactic distribution of this material closely matches that of silicates, but does not correlate directly with visual extinction. This implies that a large fraction of the visual extinction is caused by a material other than these organics and silicates and that this other material has a significantly different distribution within the galaxy.

Sandford, Scott↗