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DOE OSTI2022

Boosting the H 2 –D 2 Exchange Activity of Dilute Nanoporous Ti–Cu Catalysts through Oxidation–Reduction Cycle–Induced Restructuring

The use of nanoporous metals as catalysts has attracted significant interest in recent years. Their high-curvature, nanoscale ligaments provide not only high surface area but also a high density of undercoordinated step edge and kink sites. However, their long-term stability, especially at higher temperatures, is often limited by thermal coarsening and the associated loss of surface area. Herein, it is demonstrated that the nanoscale morphology of nanoporous Cu can be regenerated by applying oxidation/reduction cycles at 250 °C. Specifically, the morphological evolution and H 2 dissociation activity of hierarchical nanoporous Cu catalysts doped with Ti during structural rearrangement triggered by oxidative and reductive atmospheres at elevated temperatures are studied. In addition to coarsening of the structure at elevated temperatures, oxidation at 400 °C causes an expansion of the ligaments. Further, subsequent reduction at 400 °C leads to the formation of particles and a drop in the H 2 dissociation activity compared the fresh catalyst. However, performing the redox cycle at 250 °C reverses coarsening and boosts the H 2 dissociation activity for the hydrogen–deuterium (H 2 –D 2 ) reaction. Herein, the possibility to reverse coarsening is demonstrated, thereby mitigating the loss of activity frequently observed in nanoporous catalysts.

36 MATERIALS SCIENCE↗

NASA NTRS2011

NLSI Focus Group on Missing ALSEP Data Recovery: Progress and Plans

On the six Apollo landed missions, the Astronauts deployed the Apollo Lunar Surface Experiments Package (ALSEP) science stations which measured active and passive seismic events, magnetic fields, charged particles, solar wind, heat flow, the diffuse atmosphere, meteorites and their ejecta, lunar dust, etc. Today's scientists are able to extract new information and make new discoveries from the old ALSEP data utilizing recent advances in computer capabilities and new analysis techniques. However, current-day investigators are encountering problems trying to use the ALSEP data. In 2007 archivists from NASA Goddard Space Flight Center (GSFC) National Space Science Data Center (NSSDC) estimated only about 50 percent of the processed ALSEP lunar surface data-of-interest to current lunar science investigators were in the NSSDC archives. The current-day lunar science investigators found most of the ALSEP data, then in the NSSDC archives. were extremely difficult to use. The data were in forms often not well described in the published reports and rerecording anomalies existed in the data which could only be resolved by tape experts. To resolve this problem, the DPS Lunar Data Node was established in 2008 at NSSDC and is in the process of successfully making the existing archived ALSEP data available to current-day investigators in easily useable forms. In July of 2010 the NASA Lunar Science Institute (NLSI) at Ames Research Center established the Recovery of Missing ALSEP Data Focus Group in recognition of the importance of the current activities to find the raw and processed ALSEP data missing from the NSSDC archives.

Lewis, L. R.↗

DOE OSTI2021

Aerosol Composition, Mixing State, and Phase State of Free Tropospheric Particles and Their Role in Ice Cloud Formation

The prediction of ice cloud formation in the atmosphere remains challenging. Free tropospheric aerosols can act as ice nucleating particles (INPs), affecting cloud properties and precipitation. The physicochemical properties of free tropospheric particles are modified upon long-range transport by different atmospheric processes. These modifications affect the ice formation potential of individual particles. We investigated free tropospheric particles collected at the remote Pico Mountain Observatory at 2225m a.s.l. in the North Atlantic Ocean using multimodal microspectroscopy and chemical imaging techniques. We probed their ice nucleation activity using an ice nucleation stage interfaced with an environmental scanning electron microscope. Retroplume analysis, chemical imaging, and micro-spectroscopy analysis indicated that the size-resolved chemical composition, mixing state, and phase state of the articles with similar aging times but different transport patterns were substantially different. Relative humidity-dependent glass transition temperatures estimated from meteorological conditions were consistent with the observed organic component of the particles' phase. More viscous (solid and semi-solid-like) particles are more ice active in deposition mode at temperature ranging from 205-220 K than those less viscous particles. Finally, this study provides a better understanding of the phase and mixing state of long range transported free tropospheric aerosols and their role in ice cloud formation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Two decades of DOE investment lays the foundation for TRISO-fueled reactors

Tristructural isotropic (TRISO) coated particle fuel is a robust, microencapsulated fuel form developed originally for use in high-temperature gas-cooled reactors (HTGRs). The particles consist of a spherical fissile kernel surrounded by several layers of pyrocarbon and a silicon carbide (SiC) layer (Figure 1). The particles are formed into cylindrical or spherical fuel forms using a resinated graphite matrix material for insertion into an HTGR. The kernel and coating layers together act to retain fission products within the particle during normal reactor operation and during postulated accidents; TRISO particles can maintain structural integrity at extremely high temperatures, reaching as high as approximately 1,600°C in limiting HTGR accidents. This limits the fission product activity circulating in the helium coolant and the activity released to the environment during accidents. Acceptable performance of TRISO particles is therefore essential for reactor safety.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

Site-dependent reactivity of MoS2 nanoparticles in hydrodesulfurization of thiophene

The catalytically active site for the removal of S from organosulfur compounds in catalytic hydrodesulfurization has been attributed to a generic site at an S-vacancy on the edge of MoS2 particles. However, steric constraints in adsorption and variations in S-coordination means that not all S-vacancy sites should be considered equally active. Here, we use a combination of atom-resolved scanning probe microscopy and density functional theory to reveal how the generation of S-vacancies within MoS2 nanoparticles and the subsequent adsorption of thiophene (C4H4S) depends strongly on the location on the edge of MoS2. Thiophene adsorbs directly at open corner vacancy sites, however, we find that its adsorption at S-vacancy sites away from the MoS2 particle corners leads to an activated and concerted displacement of neighboring edge S. This mechanism allows the reactant to self-generate a double CUS site that reduces steric effects in more constrained sites along the edge.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

NASA NTRS1991

Microprobe studies of microtomed particles of white druse salts in shergottite EETA 79001

The white druse material in Antarctic shergottite EETA 79001 has attracted much attention as a possible sample fo Martian aqueous deposits. Instrumental Neutron Activation Analysis (INAA) was used to determine trace element analyses of small particles of this material obtained by handpicking of likely grains from broken surfaces of the meteorite. Electron microprobe work was attempted on grain areas as large as 150x120 microns. Backscattered electron images show considerable variations in brightness, and botryoidal structures were observed. Microprobe analyses showed considerable variability both within single particles and between different particles. Microtomed surfaces of small selected particles were shown to be very useful in obtaining information on the texture and composition of rare lithologies like the white druse of EETA 79001. This material is clearly heterogeneous on all distance scales, so a large number of further analyses will be required to characterize it.

Lindstrom, D. J.↗

DOE OSTI2025

Weakly supervised anomaly detection with event-level variables

We introduce a new topology for weakly supervised anomaly detection searches, diobject plus X. In this topology, one looks for a resonance decaying to two standard model particles produced in association with other anomalous event activity (X). This additional activity is used for classification. We demonstrate how anomaly detection techniques which have been developed for dijet searches focusing on jet substructure anomalies can be applied to event-level anomaly detection in this topology. To robustly capture event-level features of multiparticle kinematics, we employ new physically motivated variables derived from the geometric structure of a collision’s phase space manifold. As a proof of concept, we explore the application of this approach to several benchmark signals in the di-𝜏 and di-𝜇 plus X final states. We demonstrate that our anomaly detection approach can reach discovery-level significances for signals that would be missed in a conventional bump-hunt approach.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

3D hybrid fluid-particle jet simulations and the importance of synchrotron radiative losses

Context. Relativistic jets in active galactic nuclei are known for their exceptional energy output, and imaging the synthetic synchrotron emission of numerical jet simulations is essential for a comparison with observed jet polarization emission. Aims. Through the use of 3D hybrid fluid-particle jet simulations (with the PLUTO code), we overcome some of the commonly made assumptions in relativistic magnetohydrodynamic (RMHD) simulations by using non-thermal particle attributes to account for the resulting synchrotron radiation. Polarized radiative transfer and ray-tracing (via the RADMC-3D code) highlight the differences in total intensity maps when (i) the jet is simulated purely with the RMHD approach, (ii) a jet tracer is considered in the RMHD approach, and (iii) a hybrid fluid-particle approach is used. The resulting emission maps were compared to the example of the radio galaxy Centaurus A. Methods. We applied the Lagrangian particle module implemented in the latest version of the PLUTO code. This new module contains a state-of-the-art algorithm for modeling diffusive shock acceleration and for accounting for radiative losses in RMHD jet simulations. The module implements the physical postulates missing in RMHD jet simulations by accounting for a cooled ambient medium and strengthening the central jet emission. Results. We find a distinction between the innermost structure of the jet and the back-flowing material by mimicking the radio emission of the Seyfert II radio galaxy Centaurus A when considering an edge-brightened jet with an underlying purely toroidal magnetic field. We demonstrate the necessity of synchrotron cooling as well as the improvements gained when directly accounting for non-thermal synchrotron radiation via non-thermal particles.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

In-Situ Characterization of Dynamic Morphological and Phase Changes of Selenium-doped Germanium Using a Single Particle Cell and Synchrotron Transmission X-ray Microscopy

The dynamic information of lithium-ion battery active materials obtained from coin cell-based in-situ characterizations might not represent the properties of the active material itself because many other factors in the cell could have impacts on the cell performance. To address this problem, a single particle cell was developed to perform the in-situ characterization without the interference of inactive materials in the battery electrode as well as the X-ray-induced damage. In this study, the dynamic morphological and phase changes of selenium-doped germanium (Ge 0.9 Se 0.1 ) at the single particle level were investigated via synchrotron-based in-situ transmission X-ray microscopy. The results demonstrate the good reversibility of Ge 0.9 Se 0.1 at high cycling rate that helps understand its good cycling performance and rate capability. This in-situ and operando technique based on a single particle battery cell provides an approach to understanding the dynamic electrochemical processes of battery materials during charging and discharging at the particle level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1980

On the constancy of solar particle fluxes from track, thermoluminescence and solar wind measurements in lunar rocks

Evidence contained within lunar rocks concerning possible variations in solar activity over the last 1 to 2 million years is reviewed. The effects of solar wind particles, which are implanted at shallow depths, solar flare protons, which produce thermoluminescence as well as stable and radionuclides, and solar flare heavy nuclei, which produce tracks, are considered, and the quality and limitations of nuclear tracks measurements as indicators of solar flare flux histories are discussed. Methods used for the determination of the solar flare track production rate, which must be known in order to measure lunar rock surface exposure times, are compared, and it is concluded that most of the evidence favors the rate obtained by Blanford et al. (1975). Information on the constancy of the solar flare particle flux obtained by comparison of the effects of different surface phenomena with solar particle effects is then illustrated for the cases of comparisons between solar flare tracks and microcrater densities, solar flare particle fluxes measured over different periods, and comparisons of the solar flare track production rate with the solar wind flux and microcratering rate. It is noted that these studies provide no evidence for a change in solar particle flux by more than a factor of two over the last 10,000 to 1 million years, or for a change in the solar flare Fe/H ratio in the last 2 million years.

Zinner, E.↗

DOE OSTI2020

Nickel Speciation and Methane Dry Reforming Performance of Ni/Ce x Zr 1-x O 2 Prepared by Different Synthesis Methods

Herein, ceria–zirconia-supported Ni catalysts (Ni/Ce 0.83 Zr 0.17 O 2 or Ni/CZ) are prepared by dry impregnation, strong electrostatic adsorption, coprecipitation (CP), and combustion synthesis (CS). The nature and abundance of Ni species in these samples are characterized by X-ray adsorption spectroscopy, temperature-programmed reduction, and CO chemisorption. The bulk synthesis methods (i.e., CP and CS) produce Ni cations that are incorporated into the CZ lattice forming mixed-metal oxides with Ni 3+ species at low Ni content. The formation of mixed-metal oxides increases the reducibility of CZ and increases the abundance of active surface oxygen. All NiO/CZ catalysts are active for methane dry reforming and retain some of their activity at a steady state. The initial methane conversion correlates linearly with the fraction of accessible Ni after reduction. The predominant path of catalyst deactivation strongly depends on the structure of the catalyst and, thus, on the synthesis method used. All catalysts experience agglomeration of Ni particles under reaction conditions. Improving the Ni dispersion to isolated species embedded in a support does not improve resistance to Ni particle growth. Coke formation is inversely related to the concentration of active surface oxygen. The dominant deactivation mechanism for catalysts made by CS is the encapsulation of Ni particles by the support.

03 NATURAL GAS↗

DOE OSTI2023

CCN data from TAMU TRACER campaign in the Houston TX region from July to September 2022

During TRACER, the Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V) was deployed to capture airmasses behind (maritime) and ahead (continental) of the passage of the sea-breeze front through Houston. On select sampling days, ROAM-V sampled in the morning/mid-day on the coast and then transited to a second inland site for the afternoon/evening. The suite of instruments deployed on ROAM-V included a Condensation Particle Counter (CPC; GRIMM Model 5.403 CPC), Scanning Mobility Particle Sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A Differential Mobility Analyzer), Cloud Condensation Nuclei counter (Droplet Measurement Technologies CCN Counter), micro pulse lidar (Droplet Measurement Technologies Micro Pulse LiDAR (miniMPL)), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the GPS on the phone application “My Altitude”. Onboard the ROAM-V, aerosol samples are drawn through a shared isokinetic inlet at a flow rate ranging from 3.5 to 7.0 LPM. A portion of this flow is directed through a cyclone impactor (Brechtel, Inc. Model SCC 0.732) and 0.5 LPM is directed to the CCN. To calculate particle losses, we used a two-step method. First, the measured SMPS size distributions were used to calculate particle loss through the inlet during sampling. Second, the corrected SMPS data was used to calculate the average of the total losses per scan down the CCN line. Then, the correction was applied to the CCN data. This calculation was done separately for each deployment location due to changes in the measured size distributions between locations. Particle loss from diffusion (based on Kesten, 1991 and Gormley, 1949), inertial impaction in 90-degree bends (based on Aerosol Measurement, 2011 and Crane, 1977), and cyclone impactor efficiency (based on Dirgo, 1985) were included in the loss calculation. When the SMPS was not sampling at a location (in the case of an instrument malfunction or operator error), the reported CPC data was corrected with an average of the total losses for the entire campaign at the specified deployment location (e.g., if we needed to correct Galveston data, then the average of all calculated losses at Galveston was taken). These flatline corrections were used for all data on 22/07/13, 22/07/20, 22/07/22, and the data from Galveston on 22/08/09. The supersaturation uncertainty is estimated conservatively at +/- 0.03%, where variation in the inlet temperature, pressure, and calibration technique prevents a more accurate measurement. Confidence in the reported supersaturation measurements is based on a pre-campaign calibration (following the methods from our previous work and Deng, 2014 based on Rose, 2008) in addition to inter-comparisons with the DOE for two days (22/08/18 and 22/09/01) where TAMU was co-located with AMF1. The inter-comparisons show good agreement between our instrument and the DOEs instrument on both days at all supersaturations. After the last inter-comparison on 22/09/01, there was no indication of a malfunction by our instrument through the rest of the campaign. Unfortunately, the instrument was dropped during demobilization. A post-campaign calibration was conducted, which showed a substantial departure from the pre-campaign calibration. The drop may have damaged the instrument’s ability to produce the desired supersaturations. Therefore, we do consider the data after 22/09/01 to be correct, but it should be used with caution. The CCN counter sampled for 3 minutes at each supersaturation setpoint (0.2, 0.4, 0.6, 0.8, 1.0, and 1.2%). At the end of a cycle, the instrument was set to 0.01% supersaturation for 5 minutes. The data is comprised of the last 60 seconds of each supersaturation set point (0.2, 0.4, 0.6, 0.8, 1.0, and 1.2%) to ensure the instrument stabilized and was able to reach thermal equilibrium. We removed the data during the periods where there were operational difficulties, setup, or maintenance. This data was collected for ARM Field Campaign AFC07055 and supported by DOE ASR grant DE-SC0021047. For any further questions, please feel free to contact the instrument PI, Sarah D. Brooks, sbrooks@tamu.edu. Rose et. al. Calibration and Measurement Uncertainties of a Continuous-Flow Cloud Condensation Nuclei Counter (DMT-CCNC): CCN Activation of Ammonium Sulfate and Sodium Chloride Aerosol Particles in Theory and Experiment. Atmos. Chem. Phys., 8, 1153-1179, 2008. Deng et. al. Using Raman Microspectroscopy to Determine Chemical Composition and Mixing State of Airborne Marine Aerosols over the Pacific Ocean. Aerosol Science and Technology, Vol 48, Issue 2, 2014. Kesten et. al. Calibration of a TSI Model 3025 Ultrafine Condensation Particle Counter. Aerosol Science and Technology, 15:2, 107-111, 1991. Gormley et. al. Diffusion from a Stream Flowing through a Cylindrical Tube. Proceedings of the Royal Irish Academy, Vol 52, 163-169, 1948. Aerosol Measurement: Principles, Techniques, and Applications, Third Edition. John Wiley & Sons, Inc, 2011. Crane et. al. Inertial Deposition of Particles in a Bent Pipe. Journal of Aerosol Science, Vol 8, 161-170, 1977. Dirgo et. al. Cyclone Collection Efficiency: Comparison of Experimental Results with Theoretical Predictions. Aerosol Science and Technology, 4:4, 401-415, 1985.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1972

Effects of interplanetary magnetic field azimuth on auroral zone and polar cap magnetic activity

During relatively quiet times in the period 1964-1968, AE is found to be greater when the interplanetary magnetic field (b sub IMF) is directed toward the sun in Jan., Feb., and Apr., and when B sub IMF is directed away from the sun in Oct. to Dec. Using Murmansk hourly H values and the AE components, AU and AL, it is shown that this sector dependence is present only in the negative H deviations. This observation supports the idea that negative bay magnitudes are determined chiefly by particle-produced ionization, while positive bay magnitudes are rather insensitive to increases in particle precipitation. The ratio of DP2-type magnetic activity in the southern polar cap to that in the northern polar cap is found to be greater by a factor of about 1.75 for B sub IMF toward the sun.

Burch, J. L.↗

NASA NTRS2017

Aerosol Sampling Experiment on the International Space Station

The International Space Station (ISS) is a unique indoor environment which serves as both home and workplace to the astronaut crew. There is currently no particulate monitoring, although particulate matter requirements exist. An experiment to collect particles in the ISS cabin was conducted recently. Two different aerosol samplers were used for redundancy and to collect particles in two size ranges spanning from 10 nm to hundreds of micrometers. The Active Sampler is a battery operated thermophoretic sampler with an internal pump which draws in air and collects particles directly on a transmission electron microscope grid. This commercial-off-the-shelf device was modified for operation in low gravity. The Passive Sampler has five sampling surfaces which were exposed to air for different durations in order to collect at least one sample with an optimal quantity of particles for microscopy. These samples were returned to Earth for analysis with a variety of techniques to obtain long-term average concentrations and identify particle emission sources. Results are compared with the inventory of ISS aerosols which was created based on sparse data and the literature. The goal of the experiment is to obtain data on indoor aerosols on ISS for future particulate monitor design and development.

Aerosol↗

NASA NTRSDate not supplied

LEIA: An Investigation of Radiation Risks to Biology at the Lunar South Pole

Radiation and reduced gravity pose biological risks to crewed deep space exploration. At the cellular level, radiation damage can be amplified by reduced gravity. Empirical evidence on cellular responses to beyond low Earth orbit (BLEO) environments is imperative to develop effective countermeasures for crew health and in-space biomanufacturing. The Lunar Explorer Instrument for Space Biology Applications (LEIA) project is developing an instrument suite to be delivered to the south polar region of the Moon by the Commercial Lunar Payload Services (CLPS) program. This presentation will provide an overview of the LEIA hardware, experiments, and mission timeline. The LEIA instruments include the BioSensor, the ARES charged particle detector, and the Mini-FND. The BioSensor is an autonomous light emitting diode (LED)-based spectrophotometer and microfluidic incubator. The BioSensor activates yeast cultures and can measure cell growth, metabolic activity, and carotenoid production. The ARES is a Timepix-based charged particle radiation detector that measures dose, dose rate, and linear energy transfer spectra. The Mini-FND is a fast neutron detector that measures albedo neutron flux and energy spectra. Combined, these instruments will be used for yeast genetics experiments to quantify growth, metabolism, and synthetic biology-enabled production of human nutrients, while taking real time measurements of biologically relevant radiation exposure on the lunar surface. These data will be used to test the importance of selected DNA damage repair and reactive oxygen species defense pathways in mitigating cellular damage from lunar surface radiation.

Yeast↗

NASA NTRSDate not supplied

LEIA: An Investigation of Radiation Risks to Biology at the Lunar South Pole

Yeast↗

NASA NTRS2002

Albedo in the ATIC Experiment

ATIC(Advanced Thin Ionization Calorimeter) is a balloon borne experiment designed to measure the cosmic ray composition for elements from hydrogen to iron and their energy spectra from approx.50 GeV to near 100 TeV. It consists of a Si-matrix detector to determine the charge of a CR particle, a scintillator hodoscope for tracking, carbon interaction targets and a fully active BGO calorimeter. ATIC had its first 16-day flight from McMurdo, Antarctica from 28/12/2000 to 13/01/2000. The ATIC flight collected approximately 25 million events. To measure charge of primary particle in presence of radiation scattered back from the interaction and subsequent shower development in the calorimeter a charge detector must be a mosaic of small detector pads so that the pad containing the signal from the incident particle has no additional signal from albedo particles. Therefore the silicon matrix was built of 4480 individual silicon pads each 2 cm x 1.5 cm. The matrix consists of four planes of detectors and the active detector area, in these planes are partially overlapped to completely cover the aperture. The lateral and amplitude distributions of albedo signals in Si-matrix are analyzed for different primary nuclei and different energy deposits in BGO calorimeter. The greater part of albedo signals has Q near 1, where Q = square root of Amplitude(MIP). The albedo distribution exponentially decreases up to Q near 8. These high values are produced by slow protons and plans. There are also a small number of signals of Q > 8, mainly for heavy nucleus primaries. These signals are apparently generated by neutrons. The comparison of the experimental data and simulations with GEANT 3-21 code using QGSM generator for nucleus-nucleus interactions is presented.

Sokolskaya, N. V.↗

DOE OSTI2022

Intuitive study on the effect of support morphology over Cs-Ru/CeO 2 catalyst for microwave-initiated ammonia synthesis

Microwave-initiated ammonia synthesis is a potential candidate to the current Haber-Bosch process that can operate from stranded renewable energy source. Our previous studies indicated Cs-Ru/CeO 2 is a promising catalyst for microwave-assisted ammonia synthesis and the morphology of CeO 2 significantly affects the catalytic performance. In this paper, CeO 2 support with distinct morphologies nanorod, nanoparticle, and microstructure, is studied comprehensively at ambient pressure and low temperature under microwave irradiation. Moreover, CeO 2 nanorods of various sizes were synthesized at different timing (24, 36, and 48 h). Nanorods synthesized at 36 h exhibited superior activity associated to high dispersion and small Ru particle size.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗