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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

In Vitro and In Silico Studies of Chitin and Chitosan Based Nanocarriers for Curcumin and Insulin Delivery

The evaluation of drug delivery potential, molecular interactions of the polymeric nanoparticles with the drug molecule and release kinetics encounters more time consumption and also cost. In this study, we have adopted the combination of in vitro and in silico approaches to evaluate the drug delivery property of the polymeric nanoparticles viz. chitin and chitosan. Herein, two different therapeutic agents such as curcumin (a hydrophobic drug) and insulin (a therapeutic protein) were used to study the delivery potential of chitin and chitosan nanoparticles. The drug loaded chitin and chitosan nanoparticles were prepared and characterized using Fourier transform infra red spectroscopy, X-ray diffraction, dynamic light scattering and scanning electron microscopy analysis. In the in vitro drug delivery experiments, chitosan nanoparticles exhibited better encapsulation efficiency, drug loading capacity and prolonged release of the drug molecules than that of the chitin nanoparticles to both curcumin and insulin. Meanwhile the in silico experiments such as molecular docking and molecular dynamics predicted the molecular interactions and binding energy involved between the nanoparticles and the drug molecules. From this study, we suggest that the chitosan nanoparticles could be used as a carrier molecule for both curcumin and insulin. Graphical Abstract: .

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Post-irradiation examination of commercial tantalum alloys following neutron irradiation

Post irradiation examination of two commercial tantalum alloys (based on Ta-8 %W) revealed significant irradiation hardening following neutron irradiation in the High Flux Isotope Reactor at Oak Ridge National Laboratory. Tensile samples of commercial Ta alloys T-111 and ASTAR-811C were irradiated to a total neutron fluence (E > 0.1 MeV) in the range (2–4)x10 21 n/cm 2 (0.39–0.75 dpa) at an irradiation temperature near 900 °C. Tensile testing conducted at room temperature and at 800 °C revealed significant irradiation hardening under all test conditions. Samples that were tensile tested at room temperature exhibited brittle failure, whereas ductility was maintained for elevated temperature testing. The irradiation hardening and embrittlement noted for both alloys was attributed to irradiation-induced dislocation loop formation as confirmed through scanning transmission electron microscopy analysis. Corresponding energy dispersive x-ray spectroscopy revealed radiation-induced segregation of Hf in these loop populations. This Hf enrichment is shown to result in eventual co-precipitation of elongated (Hf,O)-rich precipitates along the dislocation loops. Further, these results show that irradiation hardening is enhanced via irradiation-enhanced precipitation at elevated irradiation temperatures. Consequently, the minimum recommended operating temperature window for Ta alloys should be increased to account for observed hardening/embrittlement at irradiation temperatures as high as 900 °C (1,173 K).

36 MATERIALS SCIENCE↗
DOE OSTI2023

The Crucial Role of Sb 2 F 10 in the Chemical Synthesis of F 2

The purely chemical synthesis of fluorine is a spectacular reaction which for more than a century had been believed to be impossible. In 1986, it was finally experimentally achieved, but since then this important reaction has not been further studied and its detailed mechanism had been a mystery. The known thermal stability of MnF 4 casts serious doubts on the originally proposed hypothesis that MnF 4 is thermodynamically unstable and decomposes spontaneously to a lower manganese fluoride and F 2 . This apparent discrepancy has now been resolved experimentally and by electronic structure calculations. It is shown that the reductive elimination of F 2 requires a large excess of SbF 5 and occurs in the last reaction step when in the intermediate [SbF 6 ][MnF 2 ][Sb 2 F 11 ] the addition of one more SbF 5 molecule to the [SbF 6 ] - anion generates a second tridentate [Sb 2 F 11 ] - anion. The two tridentate [Sb 2 F 11 ] - anions then provide six fluorine bridges to the Mn atom thereby facilitating the reductive elimination of the two fluorine ligands as F 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Microstructural Characterization of FeCrAl C26M Tubes

The present report summarizes the initial nanoindentation characterization of a FeCrAl alloy, C26M. Microstructural analysis using electron backscatter diffraction showed a highly textured system with the axial surface favoring orientations near the [110] and the longitudinal surface near the [111]. A large spread of grain sizes was observed from a few μm’s to 100 μm with an average grain size of ~70 μm. Nanoindentation with a Berkovich tip measured a similar hardness and modulus of ~4.4 GPa and ~240 GPa on the two surfaces, respectively. Mounting specimens in epoxy was found to be the cause of a lower stiffness and, consequently, a lower hardness and modulus value. Spherical nanoindentation was measured on the longitudinal surface of the tube to determine the nanoindentation modulus and nanoindentation yield strength. Using a 10 μm tip, the measured modulus was ~220 GPa and the yield strength was ~1.4 GPa. Indentation with a 100 μm tip resulted in a measured modulus value of ~220 GPa and yield strength of ~1.1 GPa. Some early characterization of the differences in spherical nanoindentation response of the axial and longitudinal surfaces showed a small difference between the two, but a more detailed analysis with a stiffer mounting configuration is needed to draw conclusions.

36 MATERIALS SCIENCE↗
NASA NTRS1988

On the need for space tests of plasma contactors as electron collectors

An analysis is presented of laboratory experiments that have shown that hollow plasma sources can provide low-impedance contact with a background plasma. In particular, some experiments show an report an 'ignited mode' of electron collection using plasma sources where almost an ampere was collected at a potential of 100 volts. The experimental results are compared with theoretical and computational models of plasma layers. Preliminary results indicate that the measured potential profiles and collected currents during the 'ignited mode' correspond to an increase in the background plasma thermal current of more than an order of magnitude. The results imply that the 'ignited mode' results are substantially impacted by the laboratory electron source and the tank size. Only experiments performed in space will be able to provide the correct boundary conditions for reliably testing high electron collection by plasma contactors.

Katz, Ira↗
DOE OSTI2016

Exploring Electron/Proton Transfer and Conformational Changes in the Nitrogenase MoFe Protein and FeMo-cofactor Through Cryoreduction/EPR Measurements

Here, we combine cryoreduction/annealing/EPR measurements of nitrogenase MoFe protein with results of earlier investigations to provide a detailed view of the electron/proton transfer events and conformational changes that occur during early stages of [e - /H + ] accumulation by the MoFe protein. This includes reduction of (i) the non-catalytic state of the iron-molybdenum cofactor (FeMo-co) active site that is generated by chemical oxidation of the resting-state cofactor (S = 3/2)) within resting MoFe (E 0 ), and (ii) the catalytic state that has accumulated n =1 [e - /H + ] above the resting-state level, denoted E 1 (1H) (S ≥ 1) in the Lowe-Thorneley kinetic scheme. FeMo-co does not undergo a major change of conformation during reduction of oxidized FeMo-co. In contrast, FeMo-co undergoes substantial conformational changes during the reduction of E 0 to E 1 (1H), and of E 1 (1H) to E 2 (2H) (n = 2; S = 3/2). The experimental results further suggest that the E 1 (1H) → E 2 (2H) step involves coupled delivery of a proton and electron (PCET) to FeMo-co of E 1 (H) to generate a non-equilibrium S = ½ form E 2 (2H)*. This subsequently undergoes conformational relaxation and attendant change in FeMo-co spin state, to generate the equilibrium E 2 (2H) (S = 3/2) state. Unexpectedly, these experiments also reveal conformational coupling between FeMo-co and P-cluster, and between Fe protein binding and FeMo-co, which might play a role in gated ET from reduced Fe protein to FeMo-co.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Characteristics of Calcium-Aluminate Slags and Pig Iron Produced from Smelting-Reduction of Low-Grade Bauxites

Low-grade bauxite ores are not favorable in the conventional Bayer process for alumina production, as they are producing more bauxite residue (red mud) and accompanying lower alumina yield than high-grade ores. In the current study, the thermodynamics and characterization of calcium-aluminate slags and pig iron produced from smelting reduction of high iron- and silica-containing bauxites are studied. Coke and limestone are used to reduce the iron oxide and adjust the basicity of slag during smelting. There is evidence that complete iron separation from bauxite is feasible through smelting-reduction process, and up to 99.9 pct of iron can be eliminated. Moreover, it is shown that the partial separation of silicon, titanium, and other elements from the Al{sub 2}O{sub 3}-containing slag occurs. The phase compositions and the distribution of elements between the metal and slag phases provide information about the high-temperature behavior of the bauxite components during smelting reduction. Employing electron microscopy analysis, it is indicated that the morphologies of CaO·Al{sub 2}O{sub 3}, 12CaO·7Al{sub 2}O{sub 3}, 2CaO·Al{sub 2}O{sub 3}·SiO{sub 2}, and CaO·Al{sub 2}O{sub 3}·SiO{sub 2} phases in the slag, as well as the complex oxides of Ca-Al-Si-Ti in the slag behave differently as the mass ratio of Al{sub 2}O{sub 3}/(Fe{sub 2}O{sub 3 }+ SiO{sub 2}) in the bauxite changes. It is also shown that the phases of slag produced from smelting-reduction below 5 K s{sup −1} of cooling rate are proper for further leaching process.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effects of Fe concentration on helium bubble formation in NiFe x single-phase concentrated solid solution alloys

The formation of helium bubbles and the consequential property degradation are critical challenges for materials used in advanced nuclear energy systems. The mechanism of helium bubble formation in a series of NiFe x (x = 0, 20, 35, or 50 at.%) single-phase concentrated solid solution alloys (SP-CSAs) are studied in this work. Transmission electron microscopy analysis shows that with increasing Fe concentration, the average bubble size decreases while the bubble number density increases, indicating the growth of large helium bubbles in NiFe x SP-CSAs is suppressed by increasing the alloy chemical complexity through increased Fe concentration. Mechanisms for the slower bubble growth rate in NiFe x binary SP-CSAs compared Ni are identified. These mechanisms include promotion of Frenkel pair recombination, denser and more homogeneously distributed nucleation sites, and increased helium atom densities inside the bubbles. Here, the results demonstrate that optimizing the chemical complexity in SP-CSAs can be an effective approach to design materials with superior resistance to helium bubble nucleation and growth.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Effect of adjusting composition on the crystallization and luminescence properties in NaYF{sub 4}:Er{sup 3+} embedded glass ceramics

Highlights: • Intense 2.7 μm emission was achieved in transparent glass ceramics containing NaYF{sub 4}:Er{sup 3+} nanocrystals. • The crystallization and luminescence properties of the nanocrystals embedded glass ceramics are tuned by adjusting the Na{sub 2}O/NaF ratio. • Modifying the properties of glass ceramics through adjusting the glass composition is an effective route. - Abstract: Intense 2.7 μm emission was achieved in transparent glass ceramics containing NaYF{sub 4}:Er{sup 3+} nanocrystals. The effect of adjusting Na{sub 2}O/NaF ratio in glass composition on the crystallizing and luminescence behavior in the glass ceramics was investigated. The controllable crystallization property of NaYF{sub 4} nanocrystals was remained after modifying the glass composition and the crystallization temperature was largely reduced for the samples with high Na{sub 2}O content. The X-ray diffraction and transmission electron microscopy analysis evidenced the shrink of lattice parameter with increasing Na{sub 2}O content. High transparency was kept for these glass ceramic samples, and intense upconversion, near- and mid-infrared emissions were obtained in Er{sup 3+}-doped glass ceramics with an increase of red/green ratio and prominent Stark splits in the sample with high Na{sub 2}O content, indicating the change of crystal field around Er{sup 3+} in the host matrix. Our results indicate that the crystallization and luminescence properties of glass ceramics could be modified through adjusting the glass composition, and it is an effective route to develop glass ceramics with favorable properties.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Catastrophic degradation of the interface of epitaxial silicon carbide on silicon at high temperatures

Epitaxial cubic silicon carbide on silicon is of high potential technological relevance for the integration of a wide range of applications and materials with silicon technologies, such as micro electro mechanical systems, wide-bandgap electronics, and graphene. The hetero-epitaxial system engenders mechanical stresses at least up to a GPa, pressures making it extremely challenging to maintain the integrity of the silicon carbide/silicon interface. In this work, we investigate the stability of said interface and we find that high temperature annealing leads to a loss of integrity. High–resolution transmission electron microscopy analysis shows a morphologically degraded SiC/Si interface, while mechanical stress measurements indicate considerable relaxation of the interfacial stress. From an electrical point of view, the diode behaviour of the initial p-Si/n-SiC junction is catastrophically lost due to considerable inter-diffusion of atoms and charges across the interface upon annealing. Temperature dependent transport measurements confirm a severe electrical shorting of the epitaxial silicon carbide to the underlying substrate, indicating vast predominance of the silicon carriers in lateral transport above 25 K. This finding has crucial consequences on the integration of epitaxial silicon carbide on silicon and its potential applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Planar Ohmic Contacts to Al 0.45 Ga 0.55 N/Al 0.3 Ga 0.7 N High Electron Mobility Transistors

Here, we present a low resistance, straightforward planar ohmic contact for Al 0.45 Ga 0.55 N/Al 0.3 Ga 0.7 N high electron mobility transistors. Five metal stacks (a/Al/b/Au; a = Ti, Zr, V, Nb/Ti; b = Ni, Mo, V) were evaluated at three individual annealing temperatures (850, 900, and 950°C). The Ti/Al/Ni/Au achieved the lowest specific contact resistance at a 900°C anneal temperature. Transmission electron microscopy analysis revealed a metal-semiconductor interface of Ti-Al-Au for an ohmic (900°C anneal) and a Schottky (850°C anneal) Ti/Al/Ni/Au stack. HEMTs were fabricated using the optimized recipe with resulting contacts that had room-temperature specific contact resistances of ρ c = 2.5 × 10 -5 Ω cm², sheet resistances of R SH = 3.9 kΩ/$\blacksquare$, and maximum current densities of 75 mA/mm (at VGATE of 2 V). Electrical measurements from -50 to 200°C had decreasing specific contact resistance and increasing sheet resistance, with increasing temperature. These contacts enabled state-of-the-art performance of Al 0.45 Ga 0.55 N/Al 0.3 Ga 0.7 N HEMTs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Revisiting heat treatment and surface activation of GaAs photocathodes: In situ studies using scanning tunneling microscopy and photoelectron spectroscopy

The lifetime of GaAs photocathodes in polarized electron guns is limited due to the delicate activation layer. An atomically clean and smooth GaAs surface is needed to deposit a robust activation layer, such as Cs 2 Te, with longer lifetime compared to traditional (Cs,O) activation. A previous experiment with Cs 2 Te activation on GaAs used heat cleaning temperatures around 400°C to avoid an increase in surface roughness [Bae et al., Appl. Phys. Lett. 112, 154101 (2018)]. Furthermore, high-temperature heat cleaning around 580°C, which results in a relatively contamination-free surface, could be one possible way to improve quantum efficiency. However, one should be cautious about surface roughness degradation during high-temperature heat cleaning. In this paper, we report results of surface roughness measurements on native, heat cleaned, and (Cs,O) activated GaAs photocathodes under vacuum. The results, measured by ultrahigh vacuum scanning tunneling microscopy, show that the surface roughness improves as the heat cleaning temperature is increased, by at least a factor of three for 580°C heat cleaning, compared to the native sample. Activation with (Cs,O) is shown to increase surface roughness by a factor of four compared to a 580°C heat cleaned sample. This confirms that high-temperature heat cleaning can be useful for depositing good quality robust activation layers on GaAs. Additionally, we also report chemical analysis for each step of preparation for p-doped GaAs photocathodes using X-ray photoelectron spectroscopy (XPS), angle-resolved XPS, and ultraviolet photoelectron spectroscopy. Our results indicate that the (Cs,O) activation layer forms a sandwich structure consists of Cs and oxygen. We found no formation of any specific compound such as Cs 2 O or Cs 11 O 3 .

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Singlet Oxygen Leads to Structural Changes to Chloroplasts during their Degradation in the Arabidopsis thaliana plastid ferrochelatase two Mutant

Abstract During stress, chloroplasts produce large amounts of reactive oxygen species (ROS). Chloroplasts also contain many nutrients, including 80% of a leaf’s nitrogen supply. Therefore, to protect cells from photo-oxidative damage and to redistribute nutrients to sink tissues, chloroplasts are prime targets for degradation. Multiple chloroplast degradation pathways are induced by photo-oxidative stress or nutrient starvation, but the mechanisms by which damaged or senescing chloroplasts are identified, transported to the central vacuole and degraded are poorly defined. Here, we investigated the structures involved with degrading chloroplasts induced by the ROS singlet oxygen (1O2) in the Arabidopsis thaliana plastid ferrochelatase two (fc2) mutant. Under mild 1O2 stress, most fc2 chloroplasts appeared normal, but had reduced starch content. A subset of chloroplasts was degrading, and some protruded into the central vacuole via ‘blebbing’ structures. A 3D electron microscopy analysis demonstrated that up to 35% of degrading chloroplasts contained such structures. While the location of a chloroplast within a cell did not affect the likelihood of its degradation, chloroplasts in spongy mesophyll cells were degraded at a higher rate than those in palisade mesophyll cells. To determine if degrading chloroplasts have unique structural characteristics, allowing them to be distinguished from healthy chloroplasts, we analyzed fc2 seedlings grown under different levels of photo-oxidative stress. A correlation was observed among chloroplast swelling, 1O2 signaling and the state of degradation. Finally, plastoglobule (PG) enzymes involved in chloroplast disassembly were upregulated while PGs increased their association with the thylakoid grana, implicating an interaction between 1O2-induced chloroplast degradation and senescence pathways.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Immobilization of Recombinant Human Catalase on Gold and Silver Nanoparticles

Human catalase cDNA was cloned into a pEX-C-His vector. Purified recombinant catalase was immobilized on nanoparticles. Gold and silver nanoparticles were synthesized in a variety of sizes by chemical reduction; no agglomerates or aggregates were observed in any of the colloids during dynamic light scattering or scanning transmission electron microscopy analysis. After immobilization on gold nanoparticles, recombinant catalase activity was found to be lower than that of the same amount of enzyme in aqueous solution. However, after 10 days of storage at room temperature, the activity of catalase immobilized on gold nanoparticles (AuNPs) of 13 and 20 nm and coverage of 133% was 68 and 83% greater than catalase in aqueous solution, respectively. During 10 days of experiment, percentage activity of catalase immobilized on those gold nanoparticles was higher in comparison to CAT in aqueous solution. Catalase immobilized on silver nanoparticles did not lose activity as significantly as catalase immobilized on AuNPs. Those results confirm the ability to produce recombinant human enzymes in a bacterial expression system and its potential use while immobilized on silver or gold nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1999

Martian soil component in impact glasses in a Martian meteorite

Chemical compositions of impact melt glass veins, called Lithology C (Lith C) in Martian meteorite EET79001 were determined by electron microprobe analysis. A large enrichment of S, and significant enrichments of Al, Ca, and Na were observed in Lith C glass compared to Lithology A (Lith A). The S enrichment is due to mixing of plagioclase- enriched Lith A material with Martian soil, either prior to or during impact on Mars. A mixture of 87% Lith A, 7% plagioclase, and 6% Martian soil reproduces the average elemental abundances observed in Lith C. Shock melting of such a mixture of plagioclase-enriched, fine-grained Lith A host rock and Martian soil could yield large excesses of S (observed in this study) and Martian atmospheric noble gases (found by Bogard et al., 1983) in Lith C. These mixing proportions can be used to constrain the elemental abundance of phosphorus in Martian soil.

NASA Center JSC↗
DOE OSTI2025

Epitaxial columnar growth of strain-free antiferromagnetic Weyl semimetal Mn 3 Sn on wurtzite c -plane GaN/Al 2 O 3 (0001)

Weyl semimetal thin films with excellent crystalline quality are of great interest for antiferromagnetic spintronics. Mn 3 Sn is one Weyl semimetal with great properties and promise for exciting science and applications. It has proven very challenging, however, to grow Mn 3 Sn thin films with smooth surfaces, negligible strain, and excellent crystallinity. In this work, we discuss the successful preparation of epitaxial Mn 3 Sn (0001)-oriented thin films via molecular beam epitaxial growth on c -plane wurtzite GaN which was grown by MBE on Al 2 O 3 (0001). We present the reflection high energy electron diffraction analysis along with x-ray diffraction in order to demonstrate the crystalline quality of the film, and we give atomic models to explain the epitaxial orientation relationships between the crystal lattices of the substrate, GaN layer, and Mn 3 Sn layer. Importantly, we discuss the film lattice parameters as compared to expected values, demonstrating negligible strain both in-plane and out-of-plane . Atomic force microscopy reveals an epitaxial columnar growth mode characterized by flat-top-mesa islands, while scanning tunneling microscopy shows the atomically smooth surfaces of the mesa-top structures. Finally, Rutherford backscattering informs the stoichiometry of the film as well as the layer thicknesses.

Chiral antiferromagnetic material↗
DOE OSTI2024

Giant magnetic anisotropy of Pb atoms in 3 d -based magnets

Electronic structure analysis is performed to study the properties of several Pb-containing 3⁢ d intermetallics. Our study reveals that binary metastable C⁢o 3 ⁢Pb and F⁡e 3 ⁢Pb intermetallic compounds exhibit very attractive intrinsic magnetic properties. We primarily focus on the magnetic anisotropic properties arising from the high spin-orbit coupling of the Pb atom. Decomposing the total anisotropy into intra- and interatomic contributions reveals a significant deviation from single-ion anisotropy model with strong symmetric anisotropic pair interactions present. Furthermore, we consider magnetic properties of ternary Pb-based 3⁢⁢ d intermetallics, which recently have been reported as stable or metastable. Giant magnetic anisotropy is found on Pb atoms in these systems. The origin of such strong anisotropy in L⁢a 18⁢ C⁢o 28 ⁢P⁢b 3 appears from two sources: spin-orbit and interelectronic Breit couplings. Additionally, the significance of Breit interaction for magnetic anisotropy in bulk systems is reported. It is expected that Breit coupling-induced anisotropy is dominating in magnetic Pb-based magnets with lower dimensionality including thin films.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

ELECTRON PROBE MICROANALYSIS OF IRRADIATED AND 1600°C SAFETY-TESTED AGR-1 TRISO FUEL PARTICLES WITH LOW AND HIGH RETAINED 110MAG

AGR-1 fuel Compact 4-3-3 achieved 18.63% FIMA and was exposed subsequently to a safety test at 1600°C. Two particles, AGR1-433-003 and AGR1-433-007, with measured-to-calculated 110mAg inventories of <22% and 100%, respectively, were selected for comparative electron microprobe analysis to determine whether the distribution or abundance of fission products differed proximally and distally from the deformed kernel in AGR1-433-003, and how this compared to fission product distribution in AGR1-433-007. On the deformed side of AGR1-433-003, Xe, Cs, I, Eu, Sr, and Te concentrations in the kernel buffer interface near the protruded kernel were up to six times higher than on the opposite, non-deformed side. At the SiC-inner pyrolytic carbon (IPyC) interface proximal to the deformed kernel, Pd and Ag concentrations were 1.2 wt% and 0.04 wt% respectively, whereas on the SiC-IPyC interface distal from the kernel deformation those elements measured 0.4 and 0.01 wt%, respectively. Palladium and Ag concentrations at the SiC-IPyC interface of AGR1-433-007 were 2.05 and 0.05 wt.%, respectively. Rare earth element concentrations at the SiC-IPyC interface of AGR1-433-007 were a factor of ten higher than at the SiC-IPyC interfaces measured in particle AGR1-433-003. Palladium permeated the SiC layer of AGR1-433-007 and the non-deformed SiC layer of AGR1-433-003.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗