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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 595 records · Page 33

Assessment of wafer scale MoS 2 atomic layers grown by metal–organic chemical vapor deposition using organo-metal, organo-sulfide, and H 2 S precursors

Transition Metal Dichalcogenides (TMDs) are a unique class of materials that exhibit attractive electrical and optical properties which have generated significant interest for applications in microelectronics, optoelectronics, energy storage, and sensing. Considering the potential of these materials to impact such applications, it is crucial to develop a reliable and scalable synthesis process that is compatible with modern industrial manufacturing methods. Metal–organic chemical vapor deposition (MOCVD) offers an ideal solution to produce TMDs, due to its compatibility with large-scale production, precise layer control, and high material purity. Optimization of MOCVD protocols is necessary for effective TMD synthesis and integration into mainstream technologies. Additionally, improvements in metrology are necessary to measure the quality of the fabricated samples more accurately. In this work, we study MOCVD of wafer-scale molybdenum disulfide (MoS 2 ) utilizing two common chalcogen precursors, H 2 S and DTBS. We then develop a metrology platform for wafer scale samples quality assessment. For this, the coalesced films were characterized using Raman spectroscopy, atomic force microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and Kelvin probe force microscopy. We then correlate the structural analysis of these grown films with electrical performance by using aerosol jet printing to fabricate van der Pauw test structures and assess sheet resistance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data from Production of Galactitol from Galactose by Oleaginous Yeast Rhodosporidium toruloides IFO0880

Sugar alcohols are commonly used as low-calorie sweeteners and can serve as potential building blocks for bio-based chemicals. Previous work has shown that the oleaginous yeast Rhodosporidium toruloides IFO0880 can natively produce arabitol from xylose at relatively high titers, suggesting that it may be a useful host for sugar alcohol production. In this work, we explored whether R. toruloides can produce additional sugar alcohols. Rhodosporidium toruloides is able to produce galactitol from galactose. During growth in nitrogen-rich medium, R. toruloides produced 3.2 ± 0.6 g/L, and 8.4 ± 0.8 g/L galactitol from 20 to 40 g/L galactose, respectively. In addition, R. toruloides was able to produce galactitol from galactose at reduced titers during growth in nitrogen-poor medium, which also induces lipid production. These results suggest that R. toruloides can potentially be used for the co-production of lipids and galactitol from galactose. We further characterized the mechanism for galactitol production, including identifying and biochemically characterizing the critical aldose reductase. Intracellular metabolite analysis was also performed to further understand galactose metabolism. Rhodosporidium toruloides has traditionally been used for the production of lipids and lipid-based chemicals. Our work demonstrates that R. toruloides can also produce galactitol, which can be used to produce polymers with applications in medicine and as a precursor for anti-cancer drugs. Collectively, our results further establish that R. toruloides can produce multiple value-added chemicals from a wide range of sugars.

Conversion↗

Mapping Influenza-Induced Posttranslational Modifications on Histones from CD8+ T Cells

T cell function is determined by transcriptional networks that are regulated by epigenetic programming via posttranslational modifications (PTMs) to histone proteins and DNA. Bottom-up mass spectrometry (MS) can identify histone PTMs, whereas intact protein analysis by MS can detect species missed by bottom-up approaches. We used a novel approach of online two-dimensional liquid chromatography-tandem MS with high-resolution reversed-phase liquid chromatography (RPLC), alternating electron transfer dissociation (ETD) and collision-induced dissociation (CID) on precursor ions to maximize fragmentation of uniquely modified species. The first online RPLC separation sorted histone families, then RPLC or weak cation exchange hydrophilic interaction liquid chromatography (WCX-HILIC) separated species heavily clad in PTMs. Tentative identifications were assigned by matching proteoform masses to predicted theoretical masses that were verified with tandem MS. We used this innovative approach for histone-intact protein PTM mapping (HiPTMap) to identify and quantify proteoforms purified from CD8 T cells after in vivo influenza infection. Activation significantly altered PTMs following influenza infection, histone maps changed as T cells migrated to the site of infection, and T cells responding to secondary infections had significantly more transcription enhancing modifications. Thus, HiPTMap identified and quantified proteoforms and determined changes in CD8 T cell histone PTMs over the course of infection.

mass spectrometry↗

A reexamination of amino acids in lunar soil

Amino acids in lunar soils provide an important indicator of the level of prebiotic organic compounds on the moon. The results provide insight into the chemistry of amino acid precursors, and furthermore, given the flux of carbonaceous material to the moon, we can evaluate the survival of organics upon impact. The amino acid contents of both hydrolyzed and unhydrolyzed hot-water extracts of Apollo 17 lunar soil were determined using ophthaldialdehyde/N-acetyl cysteine (OPA/NAC) derivatization followed by HPLC analysis. Previous studies of lunar amino acids were inconclusive, as the technique used (derivatization with ninhydrin followed by HPLC analysis) was unable to discriminate between cosmogenic amino acids and terrestrial contaminants. Cosmogenic amino acids are racemic, and many of the amino acids found in carbonaceous meteorites such as Murchison, i.e., alpha-amino-i-butyric acid (aib), are extremely rare on Earth. The ninhydrin method does not distinguish amino acid enantiomers, nor does it detect alpha-alkyl amino acids such as aib, whereas the OPA/NAC technique does both.

Brinton, K. L. F.↗

Chemically Derived Dense Alumina-Zirconia Composites for Improved Mechanical and Wear Erosion Properties

As a result of this funded project high purity Zirconia-Toughened Alumina (ZTA) ceramic powders with and without yttria were produced using metal alkoxide precursors. ZTA ceramic powders with varying volume percents of zirconia were prepared (7, 15, and 22%). Aluminum tri-sec butoxide, zirconium propoxide, and yttrium isopropoxide were the reagents used. Synthesis conditions were varied to control the hydrolysis and the aging conditions for the sol to gel transition. FTIR analysis and rheological characterization were used to follow the structural evolution during the sol to gel transition. The greater extent of hydrolysis and the build-up of structure measured from viscoelastic properties were consistent. Heat treatment was conducted to produce submicron grain fully crystalline ZTA ceramic powders. This improved materials should have enhanced properties such strength, toughness, and wear resistance for advanced structural applications, for example engine components in high technology aerospace applications.

Source record↗

Characterization of the Sol-Gel Transition for Zirconia-Toughened Alumina Precursors

High purity ZTA ceramic powders with and without yttria were produced using metal alkoxide precursors. ZTA ceramic powders with varying volume percents of zirconia were prepared (7, 15, and 22%). Aluminum tri-sec butoxide, zirconium propoxide, and yttrium isopropoxide were the reagents used. Synthesis conditions were varied to control the hydrolysis and the aging conditions for the sol to gel transition. FTIR analysis and theological characterization were used to follow the structural evolution during the sol to gel transition. The greater extent of hydrolysis and the build-up of structure measured from viscoelastic properties were consistent. Heat treatment was conducted to produce submicron grain fully crystalline ZTA ceramic powders. In all experimental cases a-alumina and tetragonal zirconia phases were confirmed even in the absence of yttria.

Moeti, I.↗

NASA's Human Mission to a Near-Earth Asteroid: Landing on a Moving Target

This paper describes a Bayesian approach for comparing the productivity and cost-risk tradeoffs of sending versus not sending one or more robotic surveyor missions prior to a human mission to land on an asteroid. The expected value of sample information based on productivity combined with parametric variations in the prior probability an asteroid might be found suitable for landing were used to assess the optimal number of spacecraft and asteroids to survey. The analysis supports the value of surveyor missions to asteroids and indicates one launch with two spacecraft going simultaneously to two independent asteroids appears optimal.

precursor decision making↗

Integration of Online Cross-Section Generation Capability with Depletion and Transient Solvers in Griffin

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE)-based reactor multiphysics analysis application jointly developed by Argonne and Idaho National Laboratories under the DOENE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In FY25, an online crosssection generation capability based on the Self-Shielding Application Programming Interface (SSAPI) was demonstrated for TRISO-fueled reactor problems under steady-state conditions. This fiscal year, that capability was extended to support depletion and transient multiphysics calculations, enabling high-fidelity analyses that generate self-shielded cross sections on the fly from the actual evolving composition and temperature states rather than from pre-tabulated libraries. For depletion, a two-way coupling was established in which SSAPI computes compact-averaged self-shielded cross sections that the depletion solver then uses to advance the Bateman equations, with the updated compositions returned to SSAPI at each step; the depletion module was refactored to support both library-based and SSAPI-based cross sections, and additional logic was added to track daughter isotopes and to exclude minor isotopes for efficiency. For transient analysis, the SSAPI multigroup library was extended with the kinetics data required for time-dependent calculations, the Improved Quasi-Static (IQS) scheme was coupled with SSAPI, and several supporting capabilities were implemented, including a self-shielding treatment that lets control rods and drums move within a self-shielded model, which had previously been impossible and had ruled out rod- and drum-movement transients with on-the-fly cross sections altogether, a new mixing scheme for delayed-neutron precursor decay constants, a checkpoint-based restart workflow, and performance improvements such as pointwise cross-section interpolation and the bypassing of unnecessary Dancoff factor calculations. The implemented capabilities were verified against Serpent Monte Carlo solutions. For depletion, a prismatic pin-cell problem based on a Next Generation Nuclear Plant (NGNP) Very High Temperature Reactor benchmark showed excellent agreement, with eigenvalue differences within 200 pcm over the entire burnup range (up to 140 MWD/kgU) and fission-product and actinide inventories agreeing to within 0.8% and 2.5%, respectively; a heat-pipe microreactor assembly problem with a much higher fuel loading confirmed the same behavior and quantified the bias introduced when the multigroup equivalence effect is neglected. For transient analysis, a pin-cell problem with a step reactivity insertion and temperature feedback reproduced the analytically expected asymptotic power and showed close agreement between the direct and IQS solutions, and a two-dimensional microreactor core problem with control-drum rotation exercised the new moving-drum self-shielding treatment and demonstrated successful coupling of the online crosssection generation with both the direct and IQS transient methods. The capability was further exercised on a full-core pebble-bed problem, in which Griffin was coupled with the System Analysis Module (SAM) to simulate load-following operation of the gPBR with the Doppler feedback resolved at the TRISO fuel kernel temperature. These developments in Griffin provide a convenient, high-fidelity approach to cross-section generation for advanced thermal reactors with geometrically complex and highly heterogeneous configurations, including TRISO-fueled prismatic and pebble-bed systems, and support steady-state, depletion, and transient multiphysics calculations. They also enable self-shielded cross sections to be evaluated directly at the actual coupled state of the system, thereby establishing a foundation for high-fidelity, fully coupled multiphysics analysis of advanced reactors

Park, H.↗

Aspect ratio control and photocatalytic properties analysis of anatase TiO2 nanoparticles

Highlights: • TiO{sub 2} nanoparticles with different aspect ratio were prepared and characterized. • Their aspect ratio is tuned by varying surfactants molar ratio and concentration. • TiO{sub 2} nanoparticles show photocatalytic activities in degradation of methylene blue. - Abstract: Anatase TiO{sub 2} nanoparticles with tuning size and aspect ratio were successfully prepared by a simple solvothermal method, using ethanol as a solvent, titanium butoxide as a precursor, and oleic acid and oleylamine as anionic and cationic capping agents, respectively. The average size and aspect ratio of these nanoparticles can be greatly regulated by varying the oleic acid/oleylamine molar ratio while keeping their total molar content constant and finely adjusted by increasing the total capping agents molar concentration in solvent at constant molar ratio (oleic acid/oleylamine molar ratio = 1:1). The variation of molar ratio or molar concentration enables a manipulation of the growth rate along different facets of TiO{sub 2} nanoparticles and, consequently, a control of the aspect ratio of these nanoparticles. Moreover, the photocatalytic degradation rate of methyl blue for sample prepared with molar ratio of oleic acid to oleylamine at 6:24 is over 11% higher than that for the other samples.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

The Flexible Lunar Architecture for Exploration (FLARE): Designed for the Artemis-3 Moon 2024 Mission and Beyond

The Flexible Lunar Architecture for Exploration (FLARE) is a concept to deliver four crew to the lunar surface for 7 to 14 days and then return them safely to Earth by 2024. This meets NASA’s internal 2024 lunar landing deadline directed by President Trump (Trump, 2017) and the “5-year” goal set forth by Vice President Pence (Pence, 2019). FLARE is an alternative to NASA’s Human Landing System reference architecture from the Design Analysis Cycle (DAC) #2 (NASA, 2019b). The minimum FLARE concept uses one Space Launch System launch, one Orion, one European Service Module (ESM), and one human lander to deliver four crew to the Moon for a minimum surface duration of 7 days and return them to Earth. FLARE adds a new capability, called the SpaceTug, based upon the mature and successful United Launch Alliance “Common” Centaur Upper Stage vehicle, with modifications. In FLARE, the SpaceTug provides propulsion needed to return the Orion+ESM from the Moon to Earth. The SpaceTug also provides propulsion to deliver the human lander Descent Element (DE) and Ascent Element (AE) separately to lunar orbit. The Orion+ESM then completes a rendezvous with the mated DE+AE in lunar orbit. FLARE also offers optional phases to the Moon 2024 mission. The SpaceTug can also deliver components of the planned Gateway - including the Power and Propulsion Element and the Habitation and Logistics Outpost - to lunar orbit; however, the planned FLARE destination is a Low Lunar Frozen Polar Orbit unlike the NASA DAC2 plan for a Near Rectilinear Halo Orbit. FLARE also provides an option to deliver precursor equipment - including a habitation module, crew mobility devices and an In-Situ Resource Utilization demonstration - to the lunar surface for enhanced crew exploration and science with the extended 14-day surface mission.

Commercial Launch Vehicles (CLV)↗

Simulating combustion of a seven-component surrogate for a gasoline/ethanol blend including soot formation and comparison with experiments

Combustion of a seven-component surrogate for a research grade 87 octane gasoline mixed with 10% ethanol is investigated experimentally and numerically from the perspective of an isolated droplet burning under conditions that promote one-dimensional gas transport. The numerical analysis included a kinetic mechanism comprised of 398 species and 24,814 reactions and a soot model that accounted for nucleation, surface growth, coalescence/aggregation of soot particles, and luminous flame radiation. Measurements of droplet and flame diameters were made for an initial droplet diameter (D o ) of approximately 0.63 mm. The simulations agreed well with the measurements including the location of the soot shell. Preferential vaporization was revealed by simulations of the liquid concentrations in the droplet. Predicted peak soot volume fractions coincided with temperatures between 1300 K and 1400 K as a soot inception temperature. Simulations were also carried out for D o between 0.25 mm and 5 mm to explore the effect of radiation and D o on burning. Below 0.25 mm radiation was negligible and burning rates and flame temperatures converged to a single value. Increasing D o up to 1.8 mm lowered the burning rate with luminous radiation having a strong effect. When radiation was entirely removed from the model the burning rate was nearly constant. Above D o = 2 mm droplets extinguished almost immediately after ignition. The flame temperature decreased with increasing D o while it increased when radiation was omitted. As a result, the simulations show that soot precursors including polyaromatic hydrocarbons were concentrated around the soot shell.

42 ENGINEERING↗

On the Mechanism of Soot Nucleation. III. The Fate and Facility of the E-Bridge

Rotationally-excited dimerization of aromatic moieties is a mechanism proposed recently to explain the initial steps of soot particle inception in combustion and pyrolysis of hydrocarbons. The product of such dimerization, termed E-bridge, is an angled molecular structure composed of two aromatic rings sharing a common bond. The present study explores the immediate fate of the E-bridge. The performed theoretical analysis indicates that abstraction of a bridge H atom by a gaseous H leads to a rapid transformation of the angled to planar structure. The implications of this result is that the collisionally-activated E-bridge formation followed by its flattening effectively increases the size of “planar” aromatic precursors by combining two aromatic moieties with essentially collisional rates, instead of a slower “atom-by-atom” buildup. The faster growth speeds up PAH reaching a size when physical dimerization takes over. Furthermore, the dimerization can be further assisted by the biradicaloid valence structure of the flattened E-bridge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of Surface Roughness on the Electrochemical Reduction of CO 2 over Cu

We have investigated the role of surface roughening on the CO 2 reduction reaction (CO 2 RR) over Cu. The activity and product selectivity of Cu surfaces roughened by plasma pretreatment in Ar, O 2 , or N 2 were compared with that of electrochemically polished Cu samples. Differences in total and product current densities, the ratio of current densities for HER (the hydrogen evolution reaction) to CO 2 RR, and the ratio of current densities for C 2+ to C 1 products depend on the electrochemically active surface and are nearly independent of plasma composition. Theoretical analysis of an electropolished and roughened Cu surface reveals a higher fraction of undercoordinated Cu sites on the roughened surface, sites that bind CO preferentially. Roughened surfaces also contain square sites similar to those on a Cu(100) surface but with neighboring step sites, which adsorb OC-COH, a precursor to C 2+ products. Here, these findings explain the increases in the formation of oxygenates and hydrocarbons relative to CO and the ratio of oxygenates to hydrocarbons observed with increasing surface roughness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In situ synchrotron pair distribution function analysis to monitor synthetic pathways under electromagnetic excitation

Electromagnetic (EM) fields, specifically microwave radiation (MWR), can significantly influence the synthesis of ceramic oxide materials and promote rapid, low-temperature growth. However, the mechanisms by which EM fields affect the phase formation process are not well understood. A major limitation to increasing this understanding has been the lack of information regarding dynamic changes in local atomic structure during MWR exposure compared to conventional hydrothermal synthesis routes. Here, we utilize in situ synchrotron X-ray pair distribution function (PDF) analysis to monitor MWR-assisted SnO 2 nanoparticle synthesis. A clear impact of the EM field is demonstrated, with MWR inducing changes in nearest neighbor distances and peaks in oxygen atomic displacement that do not occur during synthesis without MWR exposure. The observed local structural disorder serves as a precursor to rapid rutile SnO 2 nanoparticle crystallization, suggesting that EM field-assisted growth is mediated by changes to the oxygen sublattice. These findings further our understanding of the mechanisms underlying MWR-assisted synthesis and represent a step towards utilizing EM fields to engineer tailored atomic structures for a broad range of applications.

36 MATERIALS SCIENCE↗

Production of galactitol from galactose by the oleaginous yeast Rhodosporidium toruloides IFO0880

Abstract Background Sugar alcohols are commonly used as low-calorie sweeteners and can serve as potential building blocks for bio-based chemicals. Previous work has shown that the oleaginous yeast Rhodosporidium toruloides IFO0880 can natively produce arabitol from xylose at relatively high titers, suggesting that it may be a useful host for sugar alcohol production. In this work, we explored whether R. toruloides can produce additional sugar alcohols. Results Rhodosporidium toruloides is able to produce galactitol from galactose. During growth in nitrogen-rich medium, R. toruloides produced 3.2 ± 0.6 g/L, and 8.4 ± 0.8 g/L galactitol from 20 to 40 g/L galactose, respectively. In addition, R. toruloides was able to produce galactitol from galactose at reduced titers during growth in nitrogen-poor medium, which also induces lipid production. These results suggest that R. toruloides can potentially be used for the co-production of lipids and galactitol from galactose. We further characterized the mechanism for galactitol production, including identifying and biochemically characterizing the critical aldose reductase. Intracellular metabolite analysis was also performed to further understand galactose metabolism. Conclusions Rhodosporidium toruloides has traditionally been used for the production of lipids and lipid-based chemicals. Our work demonstrates that R. toruloides can also produce galactitol, which can be used to produce polymers with applications in medicine and as a precursor for anti-cancer drugs. Collectively, our results further establish that R. toruloides can produce multiple value-added chemicals from a wide range of sugars.

59 BASIC BIOLOGICAL SCIENCES↗

IPS activity observed as a precursor of solar induced terrestrial activity

A radio telescope designed to exploit the interplanetary scintillation (IPS) technique and locate, map, and track solar wind disturbances which result in geomagnetic disturbances, thereby providing a forecast capability, is described. Preliminary results from operation of the telescope include: (1) evidence for a precursor signal in the IPS activity with a 1-2 day lead time with respect to density enhancements which frequently give rise to geomagnetic activity; (2) detection of a spectral broadening signature which also serves as a precursor of geomagnetic activity; (3) out-of-the-ecliptic plasma density enhancements which were not detected by near-Earth, ecliptic plane spacecraft; (4) detection of 12 corotating density enhancements;(5) detection of over 80 sources which give detectable scintillation of which 45 have been used for detailed synoptic analysis and 9 for spectral analysis; and (6) measurement of 0-lag coefficient of 0.56 between density and IPS activity enhancements.

Cronyn, W. M.↗

Verification of Atmospheric Signals Associated with Major Seismicity by Space and Terrestrial Observations

Observations from the last twenty years suggest the existence of electromagnetic (EM) phenomena during or preceding some earthquakes [Haykawa et a!, 2004; Pulinets at al, 1999,2004, 2006, Ouzounov et all 2007 and Liu et all 20041. Both our previous studies [Pulinets at al, 2005, 2006, Ouzounov et al, 2006, 20071 and the latest review by the Earthquake Remote Precursor Sensing panel [ERPS; 2003- 20051; have shown that there were precursory atmospheric TIR signals observed on the ground and in space associated with several recent earthquakes. [Tramutoli at al, 2005, 2006, Cervone et al, 2006, Ouzounov et all 2004,2006JT.o study these signals, we applied both multi parameter statistical analysis and data mining methods that require systematic measurements from an Integrated Sensor Web of observations of several physical and environmental parameters. These include long wave earth infra-red radiation, ionospheric electrical and magnetic parameters, temperature and humidity of the boundary layer, seismicity and may be associated with major earthquakes. Our goal is to verify the earthquake atmospheric correlation in two cases: (i) backward analysis - 2000-2008 hindcast monitoring of multi atmospheric parameters over the Kamchatka region, Russia ; and (ii) forward real-time alert analysis over different seismo-tectonic regions for California, Turkey, Taiwan and Japan. Our latest results, from several post-earthquake independent analyses of more then 100 major earthquakes, show that joint satellite and some ground measurements, using an integrated web, could provide a capability for observing pre-earthquake atmospheric signals by combining the information from multiple sensors into a common framework. Using our methodology, we evaluated and compared the observed signals preceding the latest M7.9 Sichuan earthquake (0511212008), M8.0 earthquake in Peru (0811512007), M7.6 Kashmir earthquake (1010812005) and M9.0 Sumatra earthquake (1212812004). We found evidence of the systematic appearance of both atmospheric and ionospheric anomalies preceding most of the major events during the period of our analysis 2001 -2008.

Taylor, Patrick↗

Toward Stable Cycling of a Cost-Effective Cation-Disordered Rocksalt Cathode via Fluorination

The recently developed Li-excess cation-disordered rock salts (DRXs) exhibit an excellent chemical diversity for the development of alternative Co/Ni-free high-energy cathodes. Herein, the synthesis of a highly fluorinated DRX cathode, Li 1.2 Mn 0.6 Ti 0.2 O 1.8 F 0.2 , based on cost-effective and earth-abundant transition metals, via a solid-state reaction, is reported. The fluorinated DRX cathode using ammonium fluoride precursor exhibits more uniform particle size and delivers a specific discharge capacity of 233 mAh g -1 and specific energy of 754 Wh kg -1 , with 206 mAh g -1 retained after 200 cycles. Further, the combined synchrotron X-ray absorption spectroscopy and resonant inelastic X-ray scattering spectroscopy analysis reveals that the remarkable cycling performance is attributed to the high fluorination and thus enhanced Mn content, enabling the utilization of more Mn redox than the oxide analog. This study demonstrates a great promise to develop next-generation cost-effective DRX cathodes with enhanced capacity retention for high-energy Li-ion batteries.

25 ENERGY STORAGE↗