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All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Evaluation of Improvements to the TRMM Microwave Rain Algorithm

Improvements made to the Version 5 TRMM passive microwave rain retrieval algorithm (2A-12) are evaluated using independent data. Surface rain rate estimates from the Version 5 TRMM TMI (2A-12), PR (2A-25) and TMI/PR Combined (2B-31) algorithms and ground-based radar estimates for selected coincident subset datasets in 1998 over Melbourne and Kwajalein show varying degrees of agreement. The surface rain rates are then classified into convective and stratiform rain types over ocean, land, and coastal areas for more detailed comparisons to the ground radar measurements. These comparisons lead to a better understanding of the relative performances of the current TRMM rain algorithms. For example, at Melbourne more than 80% of the radar-derived rainfall is classified as convective rain. Convective rain from the TRMM rain algorithms is less than that from ground radar measurements, while TRMM stratiform rain is much greater. Rain area coverage from 2A-12 is also in reasonable agreement with ground radar measurements, with about 25% more over ocean and 25% less over land and coastal areas. Retrieved rain rates from the improved (Version 6) 2A-12 algorithm will be compared to 2A-25, 2B-31, and ground-based radar measurements to evaluate the impact of improvements to 2A-12 in Version 6. An important improvement to the Version 6 2A-12 algorithm is the retrieval of Q1/Q2 (latent heating/drying) profiles in addition to the surface rain rate and hydrometeor profiles. In order to ascertain the credibility of the new products, retrieved Q1/Q2 profiles are compared to independent ground-based estimates. Analyses of dual-Doppler radar data in conjunction with coincident rawinsonde data yield estimates of the vertical distributions of diabatic heating/drying at high horizontal resolution for selected cases over the Kwajalein and LBA field sites. The estimated vertical heating/drying structures appear to be reasonable. Comparisons of Q1/Q2 profiles from Version 6 2A-12 and the ground-based estimates are in progress. Retrieved Q1/Q2 structures will also be compared to MM5 hurricane simulations for selected cases. The results of these intercomparisons will be presented at the conference.

Yang, Song↗
NASA NTRS2007

The Use of Tribocharging in the Electrostatic Beneficiation of Lunar Simulant

Any future lunar base and habitat must be constructed from strong dense materials in order to provide for thermal and radiation protection. Lunar soil may meet this need. Lunar regolith has high concentrations of aluminum, silicon, calcium, iron, sodium, and titanium oxides. Refinement or enrichment of specific minerals in the soil before it is chemically processed may be more desirable as it would reduce the size and energy requirements required to produce the virgin material and it may significantly reduce the process' complexity. Also, investigations into the potential production of breathable oxygen from oxidized mineral components are a major research initiative by NASA. In this study. the objective was to investigate the use of tribocharging to charge lunar simulants and pass them through a parallel plate separator to enrich different mineral fractions. This technique takes advantage of the high Lunar vacuum in which much higher voltages can be used on the separation plates than in air. Additionally, the Lunar g1avity, only being 1/6 that of Earth, allows the particles more separation time between the plates and therefore enhances separation. For the separation studies, two lunar stimulants were used. The first simulant was created in-house, labeled KSC-1. using commercially supplied (sieved to 325 mesh) materials, and was composed of 40 wt. % feldspar ((Na,K,Ca)AlSi3O8;SiO2), 40 wt. % olivine ((Mg,Fe)2SiO4), 10 wt. % ilmenite (FeTiO3). and 10 wt. % spodumene (LiAlSi2O6) (pyroxene). The advantage of the in-house mixture is that the composition can he varied to simulate different soil compositions from different areas on the moon. This simulant was used to show proof-of-concept using the designed separator in air. The second stimulant was JSC-1. used for the vacuum experiments. JSC-1 is principally basalts, containing phases of plagioclase. pyroxene. olivine, and ilmenite. The JSC-1 was sieved to provide a 50-75 micron size range to correlate with the mean grain size found on the moon's surface [1]. Four different materials were investigated for the triboelectrification process; aluminum, copper. stainless steel, and PTFE. These materials were selected because they offer a wide variation in work functions (aluminum 4.28 eV, copper 4.65 eV. stainless steel 5.04 eV, and PTFE 5.75 eV). The difference between the work function of each material and the simulant influences the charge obtained by the grains. Each simulant was analyzed before and after separation using X-ray Photoelectron Spectroscopy (XPS) to determine mineral surface composition. In addition. Raman spectroscopy was performed on the JSC-1 before and after separation in vacuum to determine the mineral composition. Charge-to-mass (Q/M) measurements were performed using a fluidizing bed in air and passing the simulant through a static mixer of a particular material and collecting it in a Faraday pail grounded through an electrometer. To measure the Q/M in vacuum, a special device was constructed consisting of a heater/shaker cup that fed into a solid block of material (either PTFE, copper, or aluminum) in which a channel composed of a "zig-zag" series of inclines greater than 50 degrees has been cut. The voltage to the vibrating motor can be varied to control the amount of simulant passing through the channel. Figure I shows the Q/M measurements for JSC-1 tribocharged using the static mixers and the incline plane chargers in air, and the incline plane chargers in vacuum.

Trigwell, S.↗
DOE OSTI2019

Numerical Simulation of Metal Melt Flow in a One-Strand Tundish Regarding Active Filtration and Reactive Cleaning

In the paper, two different cleaning strategies for nonmetallic inclusions in steel melts, active filtration and reactive cleaning, are examined in a prototype tundish configuration. In active filtration, nonmetallic inclusions are deposited at the filter surfaces. In reactive cleaning, nonmetallic inclusions stick to the filter surfaces, too. In addition, they are floated by the action of carbon monoxide bubbles, which are generated by reaction between carbon and oxygen in the steel melt. In order to compare the performance of both strategies, numerical simulations of the two-phase flows of steel melt and dispersed nonmetallic inclusions are performed. Turbulence is resolved with implicit large eddy simulation. If necessary, species transports of dissolved carbon in the melt and reaction with oxygen are employed. Cleaning efficiencies are deduced from the simulations which demonstrate that reactive cleaning is much more efficient than active filtration.

36 MATERIALS SCIENCE↗
DOE OSTI2024

M3SF-24LL010302052-Comprehensive Analysis of Radionuclide Interaction with Hydrothermally Altered Repository Materials

This progress report (Level 3 Milestone Number M3SF-24LL010302052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline Work Package Number SF-24LL01030205. The research is focused on actinide and radionuclide sequestration in hydrothermally altered repository materials. In FY24, we completed a rigorous analysis of Se sorption to iron oxide phases using our L-SCIE sorption database. This effort explicitly accounts for surface titration behavior of oxide surfaces that was the subject of a recently published manuscript (Han et al., 2023). With this in mind, our Se sorption analysis now yields a more robust workflow for developing self-consistent surface complexation modeling approaches that can be adapted to specific SCM conceptual and numerical approaches (i.e. non-electrostatic, diffuse layer, triple layer models). In late FY24, we plan to publish the results of our comprehensive surface complexation modeling of Se(IV) and Se(VI) sorption to iron oxide mineral phases and provide a path forward to developing robust radionuclide sorption models for use in performance assessment. In FY24, we also submitted a manuscript summarizing our approach to integrating radionuclide sorption and coprecipitation phenomena and evaluation of radionuclide partitioning values across a range of radionuclides relevant to performance assessment. We demonstrated our approach in detail using Se sorption and coprecipitation with iron oxide minerals as a test case. This manuscript was recently accepted for publication in Applied Geochemistry (Balboni et al., Accepted). We also continued experiments to identify radionuclide interaction with hydrothermally altered crystalline repository and backfill materials. Recent research performed at Los Alamos National Laboratory (LANL) and Sandia National Laboratory (SNL) has provided key insights regarding the hydrothermal alteration behavior of bentonite backfill in the presence of repository materials (steel, concrete, etc.). We are now examining how mineral alteration affects retardation behavior of a suite of radionuclides of interest to repository performance assessment. These experiments also allow us to test the predictive ability of our component additivity approach to surface complexation and ion exchange. Our guiding hypothesis is that a robust surface complexation/ion exchange model and associated database, developed using our L-SCIE approach, can effectively predict changes in radionuclide sorption behavior resulting from the hydrothermal alteration of mineralogy in a repository near field. A short update of results to date is presented below.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS2013

Performance Evaluation of an Actuator Dust Seal for Lunar Operation

Exploration of extraterrestrial surfaces (e.g. moon, Mars, asteroid) will require durable space mechanisms that will survive potentially dusty surface conditions in addition to the hard vacuum and extreme temperatures of space. Baseline tests with lunar simulant were recently completed at NASA GRC on a new Low-Temperature Mechanism (LTM) dust seal for space actuator application. Following are top-level findings of the tests completed to date in vacuum using NU-LHT-2M lunar-highlands simulant. A complete set of findings are found in the conclusions section.Tests were run at approximately 10-7 torr with unidirectional rotational speed of 39 RPM.Initial break-in runs were performed at atmospheric conditions with no simulant. During the break-in runs, the maximum torque observed was 16.7 lbf-in. while the maximum seal outer diameter temperature was 103F. Only 0.4 milligrams of NU-LHT-2M simulant passed through the sealshaft interface in the first 511,000 cycles while under vacuum despite a chip on the secondary sealing surface.Approximately 650,000 of a planned 1,000,000 cycles were completed in vacuum with NU-LHT-2M simulant.Upon test disassembly NU-LHT-2M was found on the secondary sealing surface.

lunar↗
DOE OSTI2023

Interfacial bond characterization of epoxy adhesives to aluminum alloy and carbon fiber-reinforced polyamide by vibrational spectroscopy

Vibrational spectroscopic technique has been utilized to investigate interfacial bonding chemistry of two epoxy adhesive products, XP0012 and XP5005F, on plasma-treated AA6061 and carbon fiber-reinforced polyamide 66 (CFRP-PA66) surfaces. The change in vibrational peak ratios was measured by attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy to deduce bonding mechanisms. Both adhesives showed strong crosslinking polymerization of hydroxyl- and amine-initiated epoxy ring opening on AA6061 surface, but on CFRP surface XP0012 formed a simple amide linkage by the reaction of surface hydroxyl groups and nitrile groups of curing agent, and XP5005F formed a crosslinked network by hydroxyl-initiated epoxy ring opening polymerization. The different interfacial bonding formation of two adhesives on CFRP-PA66 surface is attributed to additive effect. Addition of additives to epoxy adhesives (XP5005F) changed the interfacial bonding mechanism on CFRP-PA66 surface, rather forming hydroxyl-initiated epoxy opening crosslinking polymerization than a simple amide bond formation (XP0012). The interfacial bonding chemistry was also proved by addition of bisphenol A (BA) to a simplified model diglycidyl ether of bisphenol A/dicyandiamide (DGEBA/DICY) epoxy system. When BA was added to the model DGEBA/DICY system, epoxy ring gradually decreased on CFRP-PA66 surface, while without BA, DGEBA/DICY showed only decrease in a nitrile peak intensity in ATR-FTIR. In conclusion, the foregoing different types of interfacial chemical bonds at the adhesive/CFRP-PA66 interfaces can affect the lap shear behavior of the joint.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Chemical “Pickling” of Phosphite Additives Mitigates Impedance Rise in Li Ion Batteries

The use of high-voltage, high-capacity positive electrodes in lithium-ion batteries presents a challenge, given their tendency to degrade organic electrolytes. To prevent this damage, electrolyte additives modifying the cathode surface are required. Tris(trimethylsilyl) phosphite (TMSPi) is one of such electrolyte additives. However, the mechanism for its protective action (similarly to other phosphite, borate, and boroxane compounds) remains not completely understood. In LiPF6 containing carbonate electrolytes, TMSPi undergoes reactions yielding numerous products. Here we demonstrate that one of these products, PF2OSiMe3, is responsible for mitigation of impedance rise that occurs in aged cells during charge/discharge cycling. This same agent can also be responsible for reducing parasitic oxidation currents and transition metal loss during prolonged cell cycling. Mechanistic underpinnings of this protective action are examined using computational methods. Our study suggests that this beneficial action originates mainly through inhibition of catalytic centers for electrolyte oxidation that are present on the cathode surface, by forming capping ligands on the transition metal ions that block solvent access to such centers.

capacity fade↗
NASA NTRS2023

Advances in Aero-Propulsive Modeling for Fixed-Wing and eVTOL Aircraft Using Experimental Data

Small unmanned aircraft and electric vertical takeoff and landing (eVTOL) aircraft have recently emerged as vehicles able to perform new missions and stimulate future air transportation methods. This dissertation presents several system identification research advancements for these modern aircraft configurations enabling accurate mathematical model development for flight dynamics simulations based on wind-tunnel and flight-test data. The first part of the dissertation focuses on advances in flight-test system identification methods using small, fixed-wing, remotely-piloted, electric, propeller-driven aircraft. A generalized approach for flight dynamics model development for small fixed-wing aircraft from flight data is described and is followed by presentation of novel flight-test system identification applications, including: aero-propulsive model development for propeller aircraft and nonlinear dynamic model identification without mass properties. The second part of the dissertation builds on established fixed-wing and rotary-wing aircraft system identification methods to develop modeling strategies for transitioning, distributed propulsion, eVTOL aircraft. Novel wind-tunnel experiment designs and aero-propulsive modeling approaches are developed using a subscale, tandem tilt-wing, eVTOL aircraft, leveraging design of experiments and response surface methodology techniques. Additionally, a method applying orthogonal phase-optimized multisine input excitations to aircraft control effectors in wind-tunnel testing is developed to improve test efficiency and identified model utility. Finally, the culmination of this dissertation is synthesis of the techniques described throughout the document to form a flight-test system identification approach for eVTOL aircraft that is demonstrated using a high-fidelity flight dynamics simulation. The research findings highlighted throughout the dissertation constitute substantial progress in efficient empirical aircraft modeling strategies that are applicable to many current and future aeronautical vehicles enabling accurate flight simulation development, which can subsequently be used to foster advancement in many other pertinent technology areas.

system identification↗
NASA NTRS2003

Sensitivity Studies for Space-based Measurements of Atmospheric Total Column Carbon Dioxide Using Reflected Sunlight

A series of sensitivity studies is carried out to explore the feasibility of space-based global carbon dioxide (CO2) measurements for global and regional carbon cycle studies. The detection method uses absorption of reflected sunlight in the CO2 vibration-rotation band at 1.58 micron. The sensitivities of the detected radiances are calculated using the line-by-line model (LBLRTM), implemented with the DISORT (Discrete Ordinates Radiative Transfer) model to include atmospheric scattering in this band. The results indicate that (a) the small (approx.1%) changes in CO2 near the Earth's surface are detectable in this CO2 band provided adequate sensor signal-to-noise ratio and spectral resolution are achievable; (b) the effects of other interfering constituents, such as water vapor, aerosols and cirrus clouds, on the radiance are significant but the overall effects of the modification of light path length on total back-to-space radiance sensitivity to CO2 change are minor for general cases, which means that generally the total column CO2 can be derived in high precision from the ratio of the on-line center to off-line radiances; (c) together with CO2 gas absorption aerosol/cirrus cloud layer has differential scattering which may result in the modification of on-line to off-line radiance ratio which could lead a large bias in the total column CO2 retrieval. Approaches to correct such bias need further investigation. (d) CO2 retrieval requires good knowledge of the atmospheric temperature profile, e.g. approximately 1K RMS error in layer temperature, which is achievable from new atmospheric sounders in the near future; (e) the atmospheric path length, over which the CO2 absorption occurs, should be known in order to correctly interpret horizontal gradients of CO2 from the total column CO2 measurement; thus an additional sensor for surface pressure measurement needs to be attached for a complete measurement package.

Mao, Jianping↗
NASA NTRS2011

An Overview of the GEOS-5 Aerosol Reanalysis

GEOS-5 is the latest version of the NASA Global Modeling and Assimilation Office (GMAO) earth system model. GEOS-5 contains components for atmospheric circulation and composition (including data assimilation), ocean circulation and biogeochemistry, and land surface processes. In addition to traditional meteorological parameters, GEOS-5 includes modules representing the atmospheric composition, most notably aerosols and tropospheric/stratospheric chemical constituents, taking explicit account of the impact of these constituents on the radiative processes of the atmosphere. MERRA is a NASA meteorological reanalysis for the satellite era (1979-present) using GEOS-5. This project focuses on historical analyses of the hydrological cycle on a broad range of weather and climate time scales. As a first step towards an integrated Earth System Analysis (IESA), the GMAO is extending MERRA with reanalyses for other components of the earth system: land, ocean, bio-geochemistry and atmospheric constituents. In this talk we will present results from the MERRA-driven aerosol reanalysis covering the Aqua period (2003-present). The assimilation of Aerosol Optical Depth (AOD) in GEOS-5 involves very careful cloud screening and homogenization of the observing system by means of a Neural Net scheme that translates MODIS radiances into AERONET calibrated AOD. These measurements are further quality controlled using an adaptive buddy check scheme, and assimilated using the Local Displacement Ensemble (LDE) methodology. For this reanalysis, GEOS-5 runs at a nominal 50km horizontal resolution with 72 vertical layers (top at approx. 8Skm). GEOS-5 is driven by daily biomass burning emissions derived from MODIS fire radiative power retrievals. We will present a summary of our efforts to validate such dataset. The GEOS-5 assimilated aerosol fields are first validated by comparison to independent in-situ measurements (AERONET and PM2.5 surface concentrations). In order to asses aerosol absorption on a global scale, we perform a detailed radiative transfer calculation to simulate the UV aerosol index, comparing our results to OMI measurements. By simulating aerosol attenuated backscatter, we use CALIPSO measurements to evaluate the vertical structure of our aerosol estimates, in particular in regions where we have larger discrepancies with OMI. Finally, the consistency of our AOD estimates with estimates from MISR, MODIS/Deep Blue, OMI and PARASOL will be briefly discussed.

da Silva, Arlindo↗
NASA NTRS2013

Quantifying Uncertainties in Land-Surface Microwave Emissivity Retrievals

Uncertainties in the retrievals of microwaveland-surface emissivities are quantified over two types of land surfaces: desert and tropical rainforest. Retrievals from satellite-based microwave imagers, including the Special Sensor Microwave Imager, the Tropical Rainfall Measuring Mission Microwave Imager, and the Advanced Microwave Scanning Radiometer for Earth Observing System, are studied. Our results show that there are considerable differences between the retrievals from different sensors and from different groups over these two land-surface types. In addition, the mean emissivity values show different spectral behavior across the frequencies. With the true emissivity assumed largely constant over both of the two sites throughout the study period, the differences are largely attributed to the systematic and random errors inthe retrievals. Generally, these retrievals tend to agree better at lower frequencies than at higher ones, with systematic differences ranging 1%-4% (3-12 K) over desert and 1%-7% (3-20 K) over rainforest. The random errors within each retrieval dataset are in the range of 0.5%-2% (2-6 K). In particular, at 85.5/89.0 GHz, there are very large differences between the different retrieval datasets, and within each retrieval dataset itself. Further investigation reveals that these differences are most likely caused by rain/cloud contamination, which can lead to random errors up to 10-17 K under the most severe conditions.

Land-Surface↗
DOE OSTI2017

Tribological performance of quaternary CrSiCN coatings under dry and lubricated conditions

This paper presents an experimental study of friction and wear performance of quaternary CrSiCN coatings deposited on a hardened H-13 steel substrate by a plasma enhanced magnetron sputtering (PEMS) technique. Friction and wear tests were conducted with a reciprocating line contact between a hardened 4370 steel roller and coated and uncoated flat specimens under dry and lubricated conditions. The effects of coating thickness (1, 3.5 and 7.5 μm) on the mechanical properties, friction and wear performance were also assessed. In dry sliding, the friction of coated surfaces was about the same as for uncoated surfaces, except for the 1-μm coating, which had higher friction. Friction for coated surfaces under lubricated contact was in general higher than for uncoated surfaces. There was no measurable wear on any of the coated surfaces, under either dry or lubricated conditions. However, wear was higher on the steel roller counterface sliding against the coated surfaces, with the amount of wear proportional to the mating coating thickness. The effectiveness of formulated lubricant additives was also modified by the coating, resulting in major effects on friction and wear behavior. Finally, this reduction in lubricant additive efficacy is due to the fact that the additives were designed and optimized for ferrous surfaces.

36 MATERIALS SCIENCE↗
NASA NTRS1964

Alumina Size Distributions from High-Pressure Composite Solid-Propellant Combustion

Alumina size distributions were obtained for both a coarse and a fine oxidizer composite propellant burning in a nitrogen atmosphere over the pressure range from atmospheric to 500 pounds per square inch. The amount of additive agglomeration was found to be significantly higher for the coarse oxidizer propellant and decreased with increasing pressure to the 0.3 power over the range from atmospheric pressure to 250 pounds per square inch. High-speed photographs of the burning propellant surface revealed that the additives moved on the surface with the average particle velocity decreasing with pressure to approximately the 0.3 power over the pressure range from atmospheric to 50 pounds per square inch. The empirical relation between particle velocity and pressure was used to modify an agglomeration criterion presented previously. Evaluation of the critical aluminum diameter required for agglomeration indicated that both propellant types used in this study should experience some agglomeration over the pressure range studied. The aluminum size required for agglomeration was found to increase with increasing pressure. The experimental findings of the critical aluminum diameter required for agglomeration were in reasonable agreement with the calculated data. The volume mean diameter of the alumina was found to decrease with increasing pressure.

Povinelli, Louis A.↗
DOE OSTI2018

Facile synthesis of high surface area nanostructured ceria-zirconia-yttria-lanthana solid solutions with the assistance of lauric acid and dodecylamine

Highlights: • High surface area nanostructured ceria-zirconia-yttria-lanthana solid solutions are synthesized by a facile method. • Hydrophobic surfaces are obtained with the addition of lauric acid and dodecylamine in the synthesis. • The introduced lauric acid and dodecylamine are chemically adsorbed onto the surface of materials through a coordination effect. • Excellent thermal stability are obtained in lauric acid and dodecylamine assisted materials. - Abstract: Co-precipitation combined with the assistance of lauric acid and dodecylamine was used to synthesize high surface area nanostructured ceria-zirconia-yttria-lanthana solid solutions (CZ-L and CZ-D). The promotion effects of lauric acid and dodecylamine were studied systematically by N{sub 2} adsorption-desorption, scanning electron microscopy (SEM), transmission electron microscopy (TEM), FT-IR and Raman analysis. After being thermal aged at 1100 °C for 4 h in air, CZ-L and CZ-D present high surface areas of 26 m{sup 2}/g and 16 m{sup 2}/g, respectively. The results indicate that the added lauric acid and dodecylamine are chemically adsorbed onto the surface of materials through coordination effect. The obtained hydrophobic surface could greatly decrease the amount of superficial adsorbed water on the material and significantly reduce the surface tension. The addition of lauric acid and dodecylamine could also effectively support the network structures of the material and resist the collapse of pores upon drying and calcination.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Beyond Conventional Charge Density Wave for Strongly Enhanced 2D Superconductivity in 1H‐TaS 2 Superlattices

Noncentrosymmetric transition metal dichalcogenide (TMD) monolayers offer a fertile platform for exploring unconventional Ising superconductivity (SC) and charge density waves (CDWs). However, the vulnerability of isolated monolayers to structural disorder and environmental oxidation often degrade their electronic coherence. Herein, an alternative approach is reported for fabricating stable and intrinsic monolayers of 1H-TaS2 sandwiched between SnS blocks in a (SnS) 1.15 TaS 2 van der Waals (vdW) superlattice. The SnS block layers not only decouple individual 1H-TaS 2 sublayers to endow them with monolayer-like electronic characteristics, but also protect the 1H-TaS 2 layers from electronic degradation. The results reveal the characteristic 3 × 3 CDW order in 1H-TaS 2 sublayers associated with electronic rearrangement in the low-lying sulfur p band, which uncovers a previously undiscovered CDW mechanism rather than the conventional Fermi surface-related framework. Additionally, the (SnS) 1.15 TaS 2 superlattice exhibits a strongly enhanced Ising-like SC with a layer-independent T c of ≈3.0 K, comparable to that of the isolated monolayer 1H-TaS 2 sample, presumably attributed to their monolayer-like characteristics and retained Fermi states. These results provide new insights into the long-debated CDW order and enhanced SC of monolayer 1H-TaS 2 , establishing bulk vdW superlattices as promising platforms for investigating exotic collective quantum phases in the 2D limit.

2D superconductivity↗
DOE OSTI2019

Selective Oxidative Cracking of n –Butane to Light Olefins over Hexagonal Boron Nitride with Limited Formation of CO x

In recent years, hexagonal boron nitride (hBN) has emerged as an unexpected catalyst for the oxidative dehydrogenation of alkanes. Here, the versatility of hBN was extended to alkane oxidative cracking chemistry by investigating the production of ethylene and propylene from n-butane. Cracking selectivity was primarily controlled by the ratio of n-butane to O 2 within the reactant feed. Under O 2 -lean conditions, increasing temperature led to increased selectivity to ethylene and propylene and decreased selectivity to CO x . In addition to surface-mediated chemistry, homogeneous gas-phase reactions likely contributed to the observed product distribution, and a reaction mechanism was proposed based on these observations. Here, the catalyst showed good stability under oxidative cracking conditions for 100 h time-on-stream while maintaining high selectivity to ethylene and propylene.

03 NATURAL GAS↗
DOE OSTI2019

Numerical Simulation of M9 Megathrust Earthquakes in the Cascadia Subduction Zone

We estimate ground motions in the Pacific Northwest urban areas during M9 subduction scenario earthquakes on the Cascadia megathrust by simulating wave propagation from an ensemble of kinematic source descriptions. Velocities and densities in our computational mesh are defined by integrating the regional Cascadia Community Velocity Model (CVM) v1.6 (Stephenson et al. P-and S-wave velocity models incorporating the Cascadia subduction zone for 3D earthquake ground motion simulations—update for open-file report 2007–1348, US Geological Survey, 2017) including the ocean water layer with a local velocity model of the Georgia basin (Molnar, Predicting earthquake ground shaking due to 1D soil layering and 3D basin structure in SW British Columbia, Canada, 2011), including additional near-surface velocity information. We generate six source realizations, each consisting of a background slip distribution with correlation lengths, rise times and rupture velocities consistent with data from previous megathrust earthquakes (e.g., 2011 M 9 Tohoku or 2010 M 8.8 Maule). We then superimpose M ~ 8 subevents, characterized by short rise times and high stress drops on the background slip model to mimic high-frequency strong ground motion generation areas in the deeper portion of the rupture (Frankel, Bull Seismol Soc Am 107(1):372–386, 2017). The wave propagation is simulated using the discontinuous mesh (DM) version of the AWP finite difference code. We simulate frequencies up to 1.25 Hz, using a spatial discretization of 100 m in the fine grid, resulting in surface grid dimensions of 6540 × 10,728 mesh points. At depths below 8 km, the grid step increases to 300 m. We obtain stable and accurate results for the DM method throughout the simulation time of 7.5 min as verified against a solution obtained with a uniform 100 m grid spacing. Peak ground velocities (PGVs) range between 0.57 and 1.0 m/s in downtown Seattle and between 0.25 and 0.54 m/s in downtown Vancouver, while spectral accelerations at 2 s range between 1.7 and 3.6 m/s 2 and 1.0 and 1.3 m/s 2 , respectively. These long-period ground motions are not significantly reduced if plastic Drucker-Prager yielding in shallow cohesionless sediments is taken into account. Effects of rupture directivity are significant at periods of ~ 10 s, but almost absent at shorter periods. We find that increasing the depth extent of the subducting slab from the truncation at 60 km in the Cascadia CVM version 1.6 to ~ 100 km increases the PGVs by 15% in Seattle and by 40% in Vancouver.

finite difference method↗
DOE OSTI2019

The Effect of Membrane Structure Prepared from Carboxymethyl Cellulose and Cellulose Nanofibrils for Cationic Dye Removal

Water-stable and eco-friendly membranes were fabricated from carboxymethyl cellulose (CMC) acting as anionic adsorbent and cellulose nanofibrils (CNFs) as strengthening filler by solvent- and unidirectional freeze-casting processes, both supported with simultaneous citric acid (CA) mediated cross-linking. Spectroscopic, thermogravimetric and potentiometric titration techniques were applied to evaluate the efficacy of the cross-linking as well as to quantify the processing-dependant surface charge. In addition, the CMC/CNF assembling and membrane porosity were identified microscopically as the combinatorial effect of components ratio and the applied fabrication technique. Finally, the membrane’s cationic dyes adsorption capacity and kinetic were evaluated depending on the dyes ionization constants, solution pH, and the contact time using batch equilibrium experiment, and further evaluated for filtration performance at optimal pH. The resulting, freeze-casted membranes demonstrate anisotropic to isotropic and highly (> 90%) porous structures with gradient pore sizes (from few nm up to 200 µm range). This provides relatively high and stable flux rates (150–190 kL/m{sup 2} h MPa) with ~ 100% cationic dye adsorption, fast dynamic (8.536–5.446 kg/g min) and capacity (1828–1398 g/kg), which highlight their potential in dead-end filtration technologies without need for additional separation step. The similar dye adsorption capacity was assessed for denser and nano-porous (< 50 nm) solvent-casted membranes, however, with much lower and time-declining flux rates (100–10 L/m{sup 2} h MPa), demonstrating their potential usage in spiral wound-cross-flow modules. Both types of membranes anyhow showed high dye removal capacity (≥ 90%) even after 4th (solvent-casted) and 50th (freeze-casted) reusing cycle, present a high-value alternative to commercial activated carbons or other bio-nano-absorbents.

77 NANOSCIENCE AND NANOTECHNOLOGY↗