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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Substrate effects on phase formation and interfacial stability in superconducting vanadium silicide thin films

Thin films of vanadium silicide (V-silicide) in the A15 cubic phase (V 3 Si) are promising for superconducting quantum devices due to their high transition temperature and potential compatibility with scalable semiconductor fabrication. However, solid-phase synthesis often yields secondary silicide phases that degrade performance. Here, in this study, we investigate the influence of substrate properties using two silicon-on-insulator architectures: one with a polycrystalline HfO 2 buried layer (group A) and the other with amorphous SiO 2 (group B). Both systems exhibit superconductivity consistent with V 3 Si formation, yet structural analysis reveals mixed-phase films in both cases. Crucially, only group A maintains an atomically sharp and chemically stable interface, a prerequisite for phase purity. Prolonged annealing in group A reduces the unwanted V 5 Si 3 phase but also leads to the emergence of Si-rich VSi 2 , likely due to localized substrate degradation. Preliminary atomic-resolution imaging suggests that HfO 2 crystallinity may promote local phase-selective nucleation. These findings highlight the importance of substrate design in promoting phase control and maintaining interfacial integrity in superconducting silicides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1988

Room-temperature codeposition growth technique for pinhole reduction in epitaxial CoSi2 on Si (111)

A solid-phase epitaxy has been developed for the growth of CoSi2 films on Si (111) with no observable pinholes (1000/sq cm detection limit). The technique utilizes room-temperature codeposition of Co and Si in stoichiometric ratio, followed by the deposition of an amorphous Si capping layer and subsequent in situ annealing at 550-600 C. CoSi2 films grown without the Si cap are found to have pinhole densities of (1-10) x 10 to the 7th/sq cm when annealed at similar temperatures. A CF4 plasma-etching technique was used to increase the visibility of the pinholes in the silicide layer.

Lin, T. L.↗
NASA NTRS2015

Great New Insights from Failed Experiments, Unanticipated Results and Embracing Controversial Observations

Experimental data and observations, whether telescopic or analytical, are never wrong, though data derived from such sources can be misinterpreted or applied inappropriately to derive conclusions that are incorrect. Given that nature always behaves according to the laws of physics and chemistry, rather than according to currently popular models and theories, experimental results should always be considered correct even when the results are far from those that one might initially expect. We discuss a number of cases where the results of experiments, even one carried out as a simple calibration measure, produced wildly different results that generally required many years of effort or contemplation to understand. On the positive side, exploration of the circumstances that produced the errant results often led to new and interesting insights concerning processes that might occur in natural environments and that were well worth the effort involved. Specifically, we show how an experiment that "failed" due to a broken conductor led to experiments that made the first refractory oxide solids containing mass independently fractionated oxygen isotopes and to 1998 predictions of the oxygen isotopic composition of the sun that were confirmed by the analysis of Genesis samples in 2011. We describe a calibration experiment that unexpectedly produced single magnetic domain iron particles. We discuss how tracking down a persistent source of "contamination" in experiments intended to produce amorphous iron and magnesium silicate smokes led to a series of studies on the synthesis of carbonaceous grain coatings that turn out to be very efficient Fischer-Tropsch catalysts and have great potential for trapping the planetary noble gases found in meteorites. We describe how models predicting the instability of silicate grains in circumstellar environments spurred new measurements of the vapor pressure of SiO partially based on previous experiments showing unexpected but systematic non-equilibrium behavior instead of the anticipated equilibrium products resembling meteoritic minerals. We trace the process that led from observations of the presence of crystalline minerals detected in the comae of some comets to the 1999 prediction of large-scale circulation of materials from the hot, innermost regions of the solar nebula out to the cold dark nebular environments where comets form. This large-scale circulation was ultimately confirmed by analyses of highly refractory Stardust samples collected from the Kuiper Belt Comet Wild 2. Finally we discuss a modern and still unresolved conflict between the assumptions built into three well known processes: the CO Self Shielding Model for mass independent isotopic fractionation of oxygen in solar system solids, rapid and thorough mixing within the solar nebula, and the efficient conversion of CO into organic coatings and volatiles on the surfaces of nebular grains via Fischer-Tropsch-type processes.

controversial↗
NASA NTRS1988

Transmission electron microscopy study of the formation of epitaxial CoSi2/Si (111) by a room-temperature codeposition technique

Co and Si have been codeposited on Si (111) substrates near room temperature in a stoichiometric 1:2 ratio in a molecular beam epitaxy system. Annealing of these deposits yields high-quality single-crystal CoSi2 layers. Transmission electron microscopy has been used to examine as-deposited layers and layers annealed at 300, 500, and 600 C. Single-crystal epitaxial grains of CoSi2 embedded in a matrix of amorphous Co/Si are observed in as-deposited samples, while the layer is predominantly single-crystal, inhomogeneously strained CoSi2 at 300 C. At 600 C, a homogeneously strained single-crystal layer with a high density of pinholes is observed. In contrast to other solid phase epitaxy techniques used to grow CoSi2 on Si (111), no intermediate silicide phases are observed prior to the formation of CoSi2.

D'Anterroches, Cecile↗
DOE OSTI2025

Relationship between atomic and electronic structure in Ln-bearing oxides

Metastable states of matter are of great interest as they offer the promise of novel functionality. They are often a natural consequence of exposure to nonequilibrium environments. In oxides, metastability can take the form of new polymorphs, chemical disorder, and even amorphization. While significant attention has been given to the impact those changes have on the atomic properties of the material, the corresponding changes in the electronic structure have received less attention. Here, using density functional theory, we consider how the electronic structure varies with potential metastable structures in two classes of lanthanide-bearing oxides—pyrochlores and interlanthanide sesquioxides. We find that the changes depend strongly on both the crystal structure and crystal chemistry of the compound with, for example, disordering and amorphization either increasing or decreasing the bandgap depending on the chemistry. For the 𝐴 2 ⁢𝐵 2 ⁢O 7 pyrochlores, we find different dependencies of the bandgap on the 𝐴 = 𝐿⁢𝑛 cations as the 𝐵 cation is changed, which we relate to the nature of the density of states at the conduction band minimum for different 𝐵 chemistries. Our calculations are validated by electron energy loss spectroscopy measurements for two pyrochlore compounds in which amorphization does reduce the bandgap, consistent with our calculations on these two compounds. In conclusion, our results highlight the relationship between atomic and electronic structure and how radiation can be used to modify and potentially control the electronic properties of oxides.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Observations and interpretation of the infrared spectrum of HD 44179

Infrared spectra of HD 44179 have been obtained for the 3040-, 1150-, and 890-kayser emission features. The strengths of the features put constraints on the possible constituents of the materials responsible for each emission feature. The 3040-kayser feature can be due to emission either from a solid (if it arises from a different region than the 890-kayser feature) or from a gas-phase molecule. The 8-13-micron spectrum is fitted with a simple model employing carbonates plus a dielectric in emission and silicates in absorption. It is suggested that amorphous carbon is the dielectric responsible for the featureless underlying continuum.

Bregman, J. D.↗
DOE OSTI2026

Unveiling the High‐Voltage Reactivity and Gas Evolution With Aluminum‐Based Chloride and Oxychloride Catholytes in Solid‐State Sodium Batteries

All-solid-state sodium batteries (ASSBs) employing halide solid electrolytes (SEs) offer a cost-effective and energy-dense alternative to conventional liquid electrolyte systems. However, their high voltage (>4 V vs. Na/Na + ) performance remains limited by interfacial instability between the cathode active material (CAM) and the SE. We present here the electrochemical and interfacial behaviors of crystalline NaAlCl 4 and amorphous sodium–aluminum–oxychloride (NACO) SEs when combined with NaNi 0.5 Mn 0.5 O 2 cathode. While oxygen incorporation in NACO enhances ionic conductivity by nearly three orders of magnitude relative to NaAlCl 4 , it does not improve high-voltage cycling stability. Cells employing NACO exhibit accelerated capacity fade, increased cell impedance growth, and intrinsic oxygen evolution above 4.5 V vs. Na 3 Sn, as revealed by operando electrochemical mass spectrometry. In contrast, the NaAlCl 4 -based cells show no detectable gas release, underscoring their superior high-voltage stability and safety. Time-of-flight secondary-ion mass spectrometry confirms the formation of Al─O and Ni/Mn─Cl species, respectively, in the SE and CAM, indicating redox-driven anion exchange that contributes to kinetic hindrance of high-voltage phase transitions. The findings establish that while oxygen incorporation enhances ionic transport, it can compromise interfacial stability, suggesting pure chloride SEs may offer a more robust and intrinsically safer pathway for developing high-energy ASSBs.

25 ENERGY STORAGE↗
NASA NTRS1972

Trends in solid state electronics, part 2

Developments in the fields of semiconductors and magnetics are surveyed. Materials, devices, theory, and fabrication technology are discussed. Important events up until the present time are reported, and events are interpreted through historical perspective. A brief analysis of forces which have driven the development of today's electronic technology and some projections of present trends are given. More detailed discussions are presented for four areas of contemporary interest: amorphous semiconductors, bubble domain devices, charge-coupled devices, and electron and ion beam techniques. Beam addressed magnetic memories are reviewed to a lesser extent.

Gassaway, J. D.↗
NASA NTRS1978

Preparation of amorphous ferromagnetic materials through containerless solidification

The work reported herein consists of: (1) the ground based experiments; (2) the analysis of the ground based specimens; (3) the flight experiment; (4) failure to melt analysis; and (5) recommendations and conclusions. The ground based experimental work yielded new results in terms of understanding the viscoelastic properties of ferromagnetic metallic glasses and the variation of viscosity through the glass transition temperature from metallic glass to crystalline solid. This last result was of importance in predicting what glass can be produced at lower quench rates.

Lord, A. E., Jr.↗
DOE OSTI2024

Making Plasticized Polymer Electrolytes Stable Against Sodium Metal for High‐Energy Solid‐State Sodium Batteries

Solid polymer electrolytes based on plastic crystals are promising for solid-state sodium metal (Na 0 ) batteries, yet their practicality has been hindered by the notorious Na 0 -electrolyte interface instability issue, the underlying cause of which remains poorly understood. Here, in this study, by leveraging a model plasticized polymer electrolyte based on conventional succinonitrile plastic crystals, we uncover its failure origin in Na 0 batteries is associated with the formation of a thick and non-uniform solid electrolyte interphase (SEI) and whiskery Na 0 nucleation/growth. Furthermore, we design a new additive-embedded plasticized polymer electrolyte to manipulate the Na 0 deposition and SEI formulation. For the first time, we demonstrate that introducing fluoroethylene carbonate (FEC) additive into the succinonitrile-plasticized polymer electrolyte can effectively protect Na 0 against interfacial corrosion by facilitating the growth of dome-like Na 0 with thin, amorphous, and fluorine-rich SEIs, thus enabling significantly improved performances of Na//Na symmetric cells (1,800 h at 0.5 mA cm −2 ) and Na//Na 3 V 2 (PO 4 ) 3 full cells (93.0 % capacity retention after 1,200 cycles at 1 C rate in coin cells and 93.1 % capacity retention after 250 cycles at C/3 in pouch cells at room temperature). Our work provides valuable insights into the interfacial failure of plasticized polymer electrolytes and offers a promising solution to resolving the interfacial instability issue.

25 ENERGY STORAGE↗
DOE OSTI2025

Using Solid-State NMR to Understand the Structure of Plant Cellulose

The structure of plant cellulose microfibrils remains elusive, despite the abundance of cellulose and its utility in industry. Using 2D solid-state NMR of 13 C-labeled never-dried plants, six major glucose environments are resolved, which are common to the cellulose of softwood, hardwood, and grasses. These environments are maintained in isolated holocellulose nanofibrils, allowing more detailed microfibril characterization. We show that there are only two glucose environments that reside within the microfibril core. These have the same NMR 13 C chemical shifts as tunicate cellulose Iβ center and origin chains, with no cellulose Iα being detected. The third major glucose site within spectral domain 1, previously assigned to the crystalline microfibril interior, is in close proximity to water, which could indicate that it is a surface glucose environment. The NMR peak widths of all four surface glucose environments are similar to those of the core, indicating that their glucose local order is comparable; there is no significant “amorphous” cellulose in the microfibrils. Consequently, the ratio of the carbon 4 peaks at ∼89 and ∼84 ppm, which has often provided a sample cellulose crystallinity index, is not a meaningful measure of fibril crystallinity or the interior to surface ratio. The revised ratio for poplar wood microfibrils is estimated to be 1:2, which is consistent with an 18-chain microfibril having 6 core and 12 surface chains, although other microfibril sizes are possible. These advances substantially change both the interpretation of solid-state NMR studies of cellulose and the understanding of cellulose microfibril structure and crystallinity.

carbohydrates↗
NASA NTRS1991

Sublimation and reformation of icy grains in the primitive solar nebula

The quantity of water ice that sublimates during the free fall of grains into the solar nebula from a surrounding interstellar cloud varies from over 90 percent of the grain mass as 30 AU from the nebular center to less than 10 percent at more than 100 AU. Virtually all the water that is sublimated ultimately recondenses, since the cold nebular gas lying beyond 10 AU is unable to hold more than a small portion as vapor. The return of most of the gas to solid phase near the nebular ambient temperature, of about 50 K, may result in at least two grain populations consisting, in one case, of unaltered interstellar grains which did not undergo sublimation, and in the other of water ice which cocondensed with more volatile gases at nebular ambient temperatures to yield volatile-rich amorphous phases.

Lunine, Jonathan I.↗
NASA NTRS1986

Toughening of BIS maleimide resins: Synthesis and characterization of maleimide terminated poly(arylene ether) oligomers and polymers

Amine functional poly(arylene ether) sulfones were previously reported. Herein, the chemistry was extended to amorphous poly(arylene ether) ketones because of their higher fracture toughness values, relative to the polysulfones. It was demonstrated that the amino functional oligomers undergo a self-crosslinking reaction at temperatures above about 220 C. This produces an insoluble, but ductile network that has excellent resistance. A ketamine structure hypothesis was proposed and verified using solid state magic angle NMR. In most cases, the water generated upon ketamine formation is too low to produce porosity and solid networks are obtained. The stability of the ketamine networks towards hydrolysis is excellent. The chemistry was further demonstrated to be able to crosslink preformed nonfunctional poly(arylene ether) ketones if a difunctional amine was utilized. This concept has the possibility of greatly improving the creep resistance of thermoplastics. Also, a new technique was developed for converting the amine functional oligomers cleanly into maleimide structures. This method involves reacting maleic anhydride with monomeric aminophenols in the presence of solvent mixtures.

Mcgrath, J. E.↗
DOE OSTI2026

Elucidating Lithium Transport Mechanisms in Disordered LiF from Machine-Learning Molecular Dynamics Simulations

Lithium fluoride (LiF) is a ubiquitous component of solid- and cathode–electrolyte interphases, yet its functional role remains unclear under the structural and chemical heterogeneity typical of cycling batteries. Here, we systematically quantify how structural disorder, off-stoichiometry, and strain govern Li-ion transport in LiF. Using a machine-learning potential to enable extensive molecular-dynamics sampling, we compare crystalline and amorphous LiF, Li 0.95 F, and LiF 0.95 , and evaluate the impact of small homogeneous deformations. Defect-free crystalline LiF is effectively ion-blocking at 300−500 K, whereas amorphization generates free-volume–assisted percolation pathways that facilitates Li-ion diffusion. At elevated temperatures, thermodynamically driven crystallization disrupts these pathways, leading to non-Arrhenius behavior. In crystalline phases, Li deficiency activates vacancy-mediated diffusion, while in amorphous LiF, transport is governed primarily by network connectivity. Strain is found to have only a marginal effect on Li mobility in both crystalline and amorphous structures.

Batteries↗
NASA NTRS2013

Hydrogen Isotopic Composition of Water in the Martian Atmosphere and Released from Rocknest Fines

The Mars Science Laboratory Curiosity rover sampled the aeolian bedform called Rocknest as its first solid samples to be analyzed by the analytical instruments CheMin and SAM. The instruments ingested aliquots from a sieved sample of less than 150 micrometer grains. As discussed in other reports at this conference [e.g., 1], CheMin discovered many crystalline phases, almost all of which are igneous minerals, plus some 10s of percent of x-ray amorphous material. The SAM instrument is focused on understanding volatiles and possible organics in the fines, performing evolved gas analysis (EGA) with the SAM quadrapole mass spectrometer (QMS), isotope measurements using both the QMS and the tunable laser spectrometer (TLS), which is sensitive to CO2, water and methane, and organics with the gas chromatograph mass spectrometer (GCMS). As discussed in the abstract by Franz et al. [2] and others, EGA of Rocknest fines revealed the presence of significant amounts of H2O as well as O-, C- and S-bearing materials. SAM has also tasted the martian atmosphere several times, analyzing the volatiles in both the TLS and QMS [e.g., 3,4]. This abstract will focus on presentation of initial hydrogen isotopic data from the TLS for Rocknest soils and the atmosphere, and their interpretation. Data for CO2 isotopes and O isotopes in water are still being reduced, but should be available by at the conference.

Leshin, L. A.↗
NASA NTRS1983

Deuteron NMR (Nuclear Magnetic Resonance) in relation to the glass transition in polymers

H-2NMR is introduced as a tool for investigating slow molecular motion in the glass transition region of amorphous polymers. In particular, we compare H-2 spin alignment echo spectra of chain deuterated polystyrene with model calculations for restricted rotational Brownian motion. Molecular motion in the polyztyrene-toluene system has been investigated by analyzing H-2NMR of partially deuterated polystyrene and toluene, respectively. The diluent mobility in the mixed glass has been decomposed into solid and liquid components where the respective average correlation times differ by more than 5 decades.

Roessler, E.↗
NASA NTRS2012

Transformation of Graphitic and Amorphous Carbon Dust to Complex Organic Molecules in a Massive Carbon Cycle in Protostellar Nebulae

More than 95% of silicate minerals and other oxides found in meteorites were melted, or vaporized and recondensed in the Solar Nebula prior to their incorporation into meteorite parent bodies. Gravitational accretion energy and heating via radioactive decay further transformed oxide minerals accreted into planetesimals. In such an oxygen-rich environment the carbonaceous dust that fell into the nebula as an intimate mixture with oxide grains should have been almost completely converted to CO. While some pre-collapse, molecular-cloud carbonaceous dust does survive, much in the same manner as do pre-solar oxide grains, such materials constitute only a few percent of meteoritic carbon and are clearly distinguished by elevated D/H, N-15/N-16, C-13/C-12 ratios or noble gas patterns. Carbonaceous Dust in Meteorites: We argue that nearly all of the carbon in meteorites was synthesized in the Solar Nebula from CO and that this CO was generated by the reaction of carbonaceous dust with solid oxides, water or OH. It is probable that some fraction of carbonaceous dust that is newly synthesized in the Solar Nebula is also converted back into CO by additional thermal processing. CO processing might occur on grains in the outer nebula through irradiation of CO-containing ice coatings or in the inner nebula via Fischer-Tropsch type (FTT) reactions on grain surfaces. Large-scale transport of both gaseous reaction products and dust from the inner nebula out to regions where comets formed would spread newly formed carbonaceous materials throughout the solar nebula. Formation of Organic Carbon: Carbon dust in the ISM might easily be described as inorganic graphite or amorphous carbon, with relatively low structural abundances of H, N, O and S . Products of FTT reactions or organics produced via irradiation of icy grains contain abundant aromatic and aliphatic hydrocarbons. aldehydes, keytones, acids, amines and amides.. The net result of the massive nebular carbon cycle is to convert relatively inert carbonaceous dust from the ISM into the vital organic precursors to life such as amino acids and sugars intimately mixed with dust and ice in primitive planetesimals. Since the number of carbon atoms entering the Solar Nebula as dust exceeds the number of atoms entering the nebula as oxide grains. the formation of large quantities of complex organic molecules may represent the largest single chemical cycle in the nebula.

Nuth, Joseph A., III↗
NASA NTRS1990

Diamonds in detonation soot

Diamonds 4 to 7 nm in diameter have been identified and partially isolated from soot formed in detonations of carbon-forming composite explosives. The morphology of the soot has been examined by transmission electron microscopy (TEM), and the identity of the diamond has been established by the electron diffraction pattern of the TEM samples and by the X-ray diffraction (XRD) pattern of the isolated solid. Graphite is also present in the form of ribbons of turbostatic structure with a thickness of 2 to 4 nm. A fraction, about 25 percent of the soot by weight, was recovered from the crude soot after oxidation of the graphite with fuming perchloric acid. This fraction showed a distinct XRD pattern of diamond and the diffuse band of amorphous carbon. The IR spectrum of these diamonds closely matches that of diamonds recovered from meteorites (Lewis et al., 1987), perhaps indicating similar surface properties after the oxidation. If these diamonds are produced in the detonation itself or during the initial expansion, they exhibit a phenomenal crystal growth rate (5 nm/0.00001 s equal 1.8 m/hr) in a medium with a very low hydrogen/carbon ratio. Because the diamonds will be carried along with the expanding gases, they will be accelerated to velocities approaching 8 km/s.

Greiner, N. Roy↗