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NASA NTRS2013

Combined Global Navigation Satellite Systems in the Space Service Volume

Besides providing position, velocity, and timing (PVT) for terrestrial users, the Global Positioning System (GPS) is also being used to provide PVT information for earth orbiting satellites. In 2006, F. H. Bauer, et. al., defined the Space Service Volume in the paper GPS in the Space Service Volume , presented at ION s 19th international Technical Meeting of the Satellite Division, and looked at GPS coverage for orbiting satellites. With GLONASS already operational, and the first satellites of the Galileo and Beidou/COMPASS constellations already in orbit, it is time to look at the use of the new Global Navigation Satellite Systems (GNSS) coming into service to provide PVT information for earth orbiting satellites. This presentation extends GPS in the Space Service Volume by examining the coverage capability of combinations of the new constellations with GPS GPS was first explored as a system for refining the position, velocity, and timing of other spacecraft equipped with GPS receivers in the early eighties. Because of this, a new GPS utility developed beyond the original purpose of providing position, velocity, and timing services for land, maritime, and aerial applications. GPS signals are now received and processed by spacecraft both above and below the GPS constellation, including signals that spill over the limb of the earth. Support of GPS space applications is now part of the system plan for GPS, and support of the Space Service Volume by other GNSS providers has been proposed to the UN International Committee on GNSS (ICG). GPS has been demonstrated to provide decimeter level position accuracy in real-time for satellites in low Earth orbit (centimeter level in non-real-time applications). GPS has been proven useful for satellites in geosynchronous orbit, and also for satellites in highly elliptical orbits. Depending on how many satellites are in view, one can keep time locked to the GNSS standard, and through that to Universal Time as long as at least one satellite is in view (the longest duration with no satellites in view is important in determining the maximum clock drift from GNSS time). Instantaneous position requires four satellites in view, but because orbital motion is predictable, it is possible to build up knowledge of the orbital position gradually through time without a need for constant four satellite coverage. However, it is desirable to have four satellite coverage when performing satellite maneuvers, since there can be significant changes in velocity, leading to large changes in orbit parameter, causing substantial divergence in position over time. The Space Service Volume has been defined as the volume between three thousand km altitude and geosynchronous altitude, and can be divided into medium orbit services between three thousand km altitude and eight thousand km altitude, and high orbit services above eight thousand km. The Terrestrial Service Volume includes the Earth s surface, the atmosphere, and space below the altitude of three thousand km. The Terrestrial Service Volume is the volume within which the GNSS systems will have very similar performance to the Earth surface, and satellites need only use the signals specified to provide terrestrial performance. Above three thousand km the use of signals passing by the Earth s limb becomes important, so it is desirable to have additional information on signal strength, phase delay, and group delay covering wider beam angles than are needed for terrestrial service (and which can be obtained by monitoring GNSS signals from the Earth s surface). This presentation will look at each of the new GNSS constellations in combination with GPS (GLONASS with GPS, Galileo with GPS, Beidou/COMPASS with GPS), and also at the combination of all four GNSS systems. The presentation will largely follow the format of GPS in the Space Service Volume , presenting data on the availability of one, two, three, or four of the various combinations of GNSS constellation satelles at approximately two thousand grid points evenly spaced and fixed in longitude and latitude, the duration of the longest single-fold outages (intervals when no satellites are available), and the duration of the longest four-fold outages (intervals when fewer than four satellites are available) at several altitudes. Following the original paper, we will use the altitudes of three hundred km (typical LEO satellite, and within the Terrestrial Service Volume), at three thousand km (border between Terrestrial Service Volume and Space Service Volume), at eight thousand km (the border between medium and high orbit service within the Space Service Volume), at fifteen thousand km (just below the GNSS constellations), at twenty five thousand km (just above the GNSS constellations), at thirty six thousand, five hundred km (limit of Space Service Volume definition, geosynchronous altitude), and at seventy thousand km (to show the potential usefulness of GNSS beyond geosynchronous altitude).

Force, Dale A.↗

NASA NTRS2014

NASA's Newest Orbital Debris Ground-based Telescope Assets: MCAT and UKIRT

NASA's Orbital Debris Program Office (ODPO) will break ground on Ascension Island in 2014 to build the newest optical (0.30 - 1.06 micrometers) ground-based telescope asset dedicated to the study of orbital debris. The Meter Class Autonomous Telescope (MCAT) is a 1.3m optical telescope designed to track objects in orbits ranging from Low Earth Orbit (LEO) to Geosynchronous Earth Orbit (GEO). Ascension Island is located in the South Atlantic Ocean, offering longitudinal sky coverage not afforded by the Ground-based Electro-Optical Deep Space Surveillance (GEODSS) network. With a fast-tracking dome, a suite of visible wide-band filters, and a time-delay integration (TDI) capable camera, MCAT is capable of multiple observing modes ranging from tracking cataloged debris targets to surveying the overall debris environment. Access to the United Kingdom Infrared Telescope (UKIRT) will extend our spectral coverage into the near- (0.8-5 micrometers) and mid- to far-infrared (8-25 micrometers) regime. UKIRT is a 3.8m telescope located on Mauna Kea on the Big Island of Hawaii. At nearly 14,000-feet and above the atmospheric inversion layer, this is one of the premier astronomical sites in the world and is an ideal setting for an infrared telescope. An unprecedented one-third of this telescope's time has been allocated to collect orbital debris data for NASA's ODPO over a 2-year period. UKIRT has several instruments available to obtain low-resolution spectroscopy in both the near-IR and the mid/far-IR. Infrared spectroscopy is ideal for constraining the material types, albedos and sizes of debris targets, and potentially gaining insight into reddening effects caused by space weathering. In addition, UKIRT will be used to acquire broadband photometric imaging at GEO with the Wide Field Camera (WFCAM) for studying known objects of interest as well as collecting data in survey-mode to discover new targets. Results from the first stage of the debris campaign will be presented. The combination of these ground-based telescope assets will yield spectral coverage ranging from 0.3 - 25 micrmeters, allowing orbital debris to be studied in depth across a wider wavelength range in the visible and IR than ever previously studied by ODPO. Located on opposite sides of the world and in opposite hemispheres, they offer access to nearly the entire GEO belt on any given night, allowing immediate coverage of nearly any time-critical break-up event. By expanding the methods for surveying, detecting, and characterizing orbital debris, we can better model the debris environment and ultimately gain insight into how to mitigate potential collisions for future missions.

Lederer, S. M.↗

NASA NTRS2013

MESSENGER at Mercury: Early Orbital Operations

The MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft, launched in August 2004 under NASA's Discovery Program, was inserted into orbit about the planet Mercury in March 2011. MESSENGER's three flybys of Mercury in 2008-2009 marked the first spacecraft visits to the innermost planet since the Mariner 10 flybys in 1974-1975. The unprecedented orbital operations are yielding new insights into the nature and evolution of Mercury. The scientific questions that frame the MESSENGER mission led to the mission measurement objectives to be achieved by the seven payload instruments and the radio science experiment. Interweaving the full set of required orbital observations in a manner that maximizes the opportunity to satisfy all mission objectives and yet meet stringent spacecraft pointing and thermal constraints was a complex optimization problem that was solved with a software tool that simulates science observations and tracks progress toward meeting each objective. The final orbital observation plan, the outcome of that optimization process, meets all mission objectives. MESSENGER's Mercury Dual Imaging System is acquiring a global monochromatic image mosaic at better than 90% coverage and at least 250 m average resolution, a global color image mosaic at better than 90% coverage and at least 1 km average resolution, and global stereo imaging at better than 80% coverage and at least 250 m average resolution. Higher-resolution images are also being acquired of targeted areas. The elemental remote sensing instruments, including the Gamma-Ray and Neutron Spectrometer and the X-Ray Spectrometer, are being operated nearly continuously and will establish the average surface abundances of most major elements. The Visible and Infrared Spectrograph channel of MESSENGER's Mercury Atmospheric and Surface Composition Spectrometer is acquiring a global map of spectral reflectance from 300 to 1450 nm wavelength at a range of incidence and emission angles. Targeted areas have been selected for spectral coverage into the ultraviolet with the Ultraviolet and Visible Spectrometer (UVVS). MESSENGER's Mercury Laser Altimeter is acquiring topographic profiles when the slant range to Mercury's surface is less than 1800 km, encompassing latitudes from 20 deg. S to the north pole. Topography over the remainder of the southern hemisphere will be derived from stereo imaging, radio occultations, and limb profiles. MESSENGER's radio science experiment is determining Mercury's gravity field from Doppler signals acquired during frequent downlinks. MESSENGER's Magnetometer is measuring the vector magnetic field both within Mercury's magnetosphere and in Mercury's solar wind environment at an instrument sampling rate of up to 20 samples/s. The UVVS is determining the three-dimensional, time-dependent distribution of Mercury's exospheric neutral and ionic species via their emission lines. During each spacecraft orbit, the Energetic Particle Spectrometer measures energetic electrons and ions, and the Fast Imaging Plasma Spectrometer measures the energies and mass per charge of thermal plasma components, both within Mercury's magnetosphere and in Mercury's solar-wind environment. The primary mission observation sequence will continue for one Earth year, until March 2012. An extended mission, currently under discussion with NASA, would add a second year of orbital observations targeting a set of focused follow-on questions that build on observations to date and take advantage of the more active Sun expected during 2012-2013. MESSENGER's total primary mission cost, projected at $446 M in real-year dollars, is comparable to that of Mariner 10 after adjustment for inflation.

mercury↗

NASA NTRS2014

Changes in Arctic and Antarctic Sea Ice as a Microcosm of Global Climate Change

Polar sea ice is a key element of the climate system and has now been monitored through satellite observations for over three and a half decades. The satellite observations reveal considerable information about polar ice and its changes since the late 1970s, including a prominent downward trend in Arctic sea ice coverage and a much lesser upward trend in Antarctic sea ice coverage, illustrative of the important fact that climate change entails spatial contrasts. The decreasing ice coverage in the Arctic corresponds well with contemporaneous Arctic warming and exhibits particularly large decreases in the summers of 2007 and 2012, influenced by both preconditioning and atmospheric conditions. The increasing ice coverage in the Antarctic is not as readily explained, but spatial differences in the Antarctic trends suggest a possible connection with atmospheric circulation changes that have perhaps been influenced by the Antarctic ozone hole. The changes in the polar ice covers and the issues surrounding those changes have many commonalities with broader climate changes and their surrounding issues, allowing the sea ice changes to be viewed in some important ways as a microcosm of global climate change.

Arctic↗

NASA NTRS2015

Cloud-to-Ground Lightning Estimates Derived from SSMI Microwave Remote Sensing and NLDN

Lightning observations are collected using ground-based and satellite-based sensors. The National Lightning Detection Network (NLDN) in the United States uses multiple ground sensors to triangulate the electromagnetic signals created when lightning strikes the Earth's surface. Satellite-based lightning observations have been made from 1998 to present using the Lightning Imaging Sensor (LIS) on the NASA Tropical Rainfall Measuring Mission (TRMM) satellite, and from 1995 to 2000 using the Optical Transient Detector (OTD) on the Microlab-1 satellite. Both LIS and OTD are staring imagers that detect lightning as momentary changes in an optical scene. Passive microwave remote sensing (85 and 37 GHz brightness temperatures) from the TRMM Microwave Imager (TMI) has also been used to quantify characteristics of thunderstorms related to lightning. Each lightning detection system has fundamental limitations. TRMM satellite coverage is limited to the tropics and subtropics between 38 deg N and 38 deg S, so lightning at the higher latitudes of the northern and southern hemispheres is not observed. The detection efficiency of NLDN sensors exceeds 95%, but the sensors are only located in the USA. Even if data from other ground-based lightning sensors (World Wide Lightning Location Network, the European Cooperation for Lightning Detection, and Canadian Lightning Detection Network) were combined with TRMM and NLDN, there would be enormous spatial gaps in present-day coverage of lightning. In addition, a globally-complete time history of observed lightning activity is currently not available either, with network coverage and detection efficiencies varying through the years. Previous research using the TRMM LIS and Microwave Imager (TMI) showed that there is a statistically significant correlation between lightning flash rates and passive microwave brightness temperatures. The physical basis for this correlation emerges because lightning in a thunderstorm occurs where ice is first present in the cloud and electric charge separation occurs. These ice particles efficiently scatter the microwave radiation at the 85 and 37 GHz frequencies, thus leading to large brightness temperature depressions. Lightning flash rate is related to the total amount of ice passing through the convective updraft regions of thunderstorms. Confirmation of this relationship using TRMM LIS and TMI data, however, remains constrained to TRMM observational limits of the tropics and subtropics. Satellites from the Defense Meteorology Satellite Program (DMSP) have global coverage and are equipped with passive microwave imagers that, like TMI, observe brightness temperatures at 85 and 37 GHz. Unlike the TRMM satellite, however, DMSP satellites do not have a lightning sensor, and the DMSP microwave data has never been used to derive global lightning. In this presentation, a relationship between DMSP Special Sensor Microwave Imager (SSMI) data and ground-based cloud-to-ground (CG) lightning data from NLDN is investigated to derive a spatially complete time history of CG lightning for the USA study area. This relationship is analogous to the established using TRMM LIS and TMI data. NLDN has the most spatially and temporally complete CG lightning data for the USA, and therefore provides the best opportunity to find geospatially coincident observations with SSMI sensors. The strongest thunderstorms generally have minimum 85 GHz Polarized Corrected brightness Temperatures (PCT) less than 150 K. Archived radar data was used to resolve the spatial extent of the individual storms. NLDN data for that storm spatial extent defined by radar data was used to calculate the CG flash rate for the storm. Similar to results using TRMM sensors, a linear model best explained the relationship between storm-specific CG flash rates and minimum 85 GHz PCT. However, the results in this study apply only to CG lightning. To extend the results to weaker storms, the probability of CG lightning (instead of the flash rate) was calculated for storms having 85 GHz PCT greater than 150 K. NLDN data was used to determine if a CG strike occurred for a storm. This probability of CG lightning was plotted as a function of minimum 85 GHz PCT and minimum 37 GHz PCT. These probabilities were used in conjunction with the linear model to estimate the CG flash rate for weaker storms with minimum 85 GHz PCTs greater than 150 K. Results from the investigation of CG lightning and passive microwave radiation signals agree with the previous research investigating total lightning and brightness temperature. Future work will take the established relationships and apply them to the decades of available DMSP data for the USA to derive a map of CG lightning flash rates. Validation of this method and uncertainty analysis will be done by comparing the derived maps of CG lightning flash rates against existing NLDN maps of CG lightning flash rates.

Winesett, Thomas↗

NASA NTRS2012

MESSENGER at Mercury: Early Orbital Operations

The MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft, launched in August 2004 under NASA's Discovery Program, was inserted into orbit about the planet Mercury in March 2011. MESSENGER's three flybys of Mercury in 2008-2009 marked the first spacecraft visits to the innermost planet since the Mariner 10 flybys in 1974-1975. The unprecedented orbital operations are yielding new insights into the nature and evolution of Mercury. The scientific questions that frame the MESSENGER mission led to the mission measurement objectives to be achieved by the seven payload instruments and the radio science experiment. Interweaving the full set of required orbital observations in a manner that maximizes the opportunity to satisfy all mission objectives and yet meet stringent spacecraft pointing and thermal constraints was a complex optimization problem that was solved with a software tool that simulates science observations and tracks progress toward meeting each objective. The final orbital observation plan, the outcome of that optimization process, meets all mission objectives. MESSENGER's Mercury Dual Imaging System is acquiring a global monochromatic image mosaic at better than 90%coverage and at least 250 m average resolution, a global color image mosaic at better than 90%coverage and at least 1 km average resolution, and global stereo imaging at better than 80%coverage and at least 250 m average resolution. Higher-resolution images are also being acquired of targeted areas. The elemental remote sensing instruments, including the Gamma-Ray and Neutron Spectrometer and the X-Ray Spectrometer, are being operated nearly continuously and will establish the average surface abundances of most major elements. The Visible and Infrared Spectrograph channel of MESSENGER's Mercury Atmospheric and Surface Composition Spectrometer is acquiring a global map of spectral reflectance from 300 to 1450 nm wavelength at a range of incidence and emission angles. Targeted areas have been selected for spectral coverage into the ultraviolet with the Ultraviolet and Visible Spectrometer (UVVS). MESSENGER's Mercury Laser Altimeter is acquiring topographic profiles when the slant range to Mercury's surface is less than 1800 km, encompassing latitudes from 201S to the north pole. Topography over the remainder of the southern hemisphere will be derived from stereo imaging, radio occultations, and limb profiles. MESSENGER's radio science experiment is determining Mercury's gravity field from Doppler signals acquired during frequent downlinks. MESSENGER's Magnetometer is measuring the vector magnetic field both within Mercury's magnetosphere and in Mercury's solar wind environment at an instrument sampling rate of up to 20 samples/s. The UVVS is determining the three-dimensional, time-dependent distribution of Mercury's exospheric neutral and ionic species via their emission lines. During each spacecraft orbit, the Energetic Particle Spectrometer measures energetic electrons and ions, and the Fast Imaging Plasma Spectrometer measures the energies and mass per charge of thermal plasma components, both within Mercury's magnetosphere and in Mercury's solar-wind environment. The primary mission observation sequence will continue for one Earth year, until March 2012. An extended mission, currently under discussion with NASA, would add a second year of orbital observations targeting a set of focused follow-on questions that build on observations to date and take advantage of the more active Sun expected during 2012-2013. MESSENGER's total primary mission cost, projected at $446 M in real-year dollars, is comparable to that of Mariner 10 after adjustment for inflation.

Planetary Science↗

NASA NTRS2021

Sea Ice Extents Continue to Set New Records: Arctic, Antarctic, and Global Results

The multi-channel satellite passive-microwave record of Earth’s sea ice coverage, extending back to the late 1970s, has long revealed declining sea ice coverage in the Arctic but through 2015 revealed an overall increase rather than decrease in Antarctic sea ice coverage. Following major decreases in Antarctic sea ice since 2015, the 42-year 1979-2020 satellite dataset now shows losses in sea ice coverage in both hemispheres, and this is convincingly demonstrated by the enumeration of monthly and yearly record high and record low sea ice extents experienced over the course of the 42 years. In fact, one of the most convincing statistics on the declining Arctic sea ice cover is the fact that since 1986 the Arctic has not experienced a single monthly record high sea ice extent in any month but has experienced 93 monthly record lows. In contrast, all 12 calendar months have their 42-year Antarctic monthly record high sea ice extents in the period 2007-2015, while 8 of the 12 calendar months have had Antarctic record lows since 2015. Globally, every calendar month has registered a new monthly record low within the past 5 years. These results are complemented (and somewhat tempered) by quantification of the range of monthly and yearly sea ice extent values over the 42 years. For instance, although the Arctic’s lowest September monthly average sea ice extent (in 2012) is 53% lower than its highest September monthly average sea ice extent (in 1980), the other months have far smaller percent differences between their lowest and highest Arctic values. For yearly average sea ice extents, the Arctic’s lowest value (in 2020) is 18% lower than its highest value (in 1982), the Antarctic’s lowest value (in 2017) is 16% lower than its highest value (in 2014), and the global lowest value (in 2019) is only 12% lower than its highest value (in 1982).

sea ice↗

DOE OSTI2024

Engineering Active Sites of Metal/Metal Oxide Catalysts by Oxide Ligand Overlayers

Abstract Engineering sites of supported metal catalysts is essential to enhancing activity and selectivity. Such enhancement is typically achieved by particle size modification, surface alloying, or attaching molecular ligands. Yet, control strategies for complex, multifunctional molecules and catalysts, where selectivity is crucial, are lacking. Here, we demonstrate that submonolayer WO x with tunable coverage preferentially decorates well‐coordinated Pt terrace sites as a stable ligand. By combining experimental kinetics with probe molecules, in situ spectroscopies, and first‐principles modeling, we show that the WO x coverage on Pt modifies the metal‐to‐acid site balance while retaining the acid strength intact and results in optimal reactivity for metal‐acid catalyzed reactions at a specific metal, size, and support‐dependent WO x coverage. The oxide can also alter the reactant adsorption mode, reversing selectivity and pathways from terrace‐ to step‐dominated, as evidenced in furfural decarbonylation and hydrogenation. The insights open avenues for improving metal/metal oxide catalysts beyond the specific system.

Zhou, Jiahua↗

DOE OSTI2024

Measurement of energy resolution with the NEXT-White silicon photomultipliers

The NEXT-White detector, a high-pressure gaseous xenon time projection chamber, demonstrated the excellence of this technology for future neutrinoless double beta decay searches using photomultiplier tubes (PMTs) to measure energy and silicon photomultipliers (SiPMs) to extract topology information. This analysis uses $^{83m}$Kr data from the NEXT-White detector to measure and understand the energy resolution that can be obtained with the SiPMs, rather than with PMTs. The energy resolution obtained of (10.9 ± 0.6)%, full-width half-maximum, is slightly larger than predicted based on the photon statistics resulting from very low light detection coverage of the SiPM plane in the NEXT-White detector. The difference in the predicted and measured resolution is attributed to poor corrections, which are expected to be improved with larger statistics. Furthermore, the noise of the SiPMs is shown to not be a dominant factor in the energy resolution and may be negligible when noise subtraction is applied appropriately, for high-energy events or larger SiPM coverage detectors. These results, which are extrapolated to estimate the response of large coverage SiPM planes, are promising for the development of future, SiPM-only, readout planes that can offer imaging and achieve similar energy resolution to that previously demonstrated with PMTs.[graphic not available: see fulltext]

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Do we have globally representative data to understand soil processes?

Understanding and modeling soils and soil organic matter (SOM) are central to a variety of human needs, from food production to ecosystem management. Soil data have been collected for over a century, but the global spatial and process representativeness of soil data remains unclear. We assessed the representativeness of currently available soil data that could be used to understand a variety of SOM processes. We used 16 open-source soil databases and data from over 281,000 unique locations globally, categorizing the databases into three main data types necessary to understand SOM processes: soil carbon stocks and fluxes, mechanistic drivers of these stocks and fluxes, and soil carbon gain or loss potential. We found that stock and driver data have extensive global coverage. However, data on soil carbon gain or loss potential, particularly data describing change in soils over time such as time series data, are severely limited in their global coverage. We conclude that while significant strides have been made in measuring soil carbon stocks and fluxes, and their drivers, we are limited in global data related to changes in soils over time. Our recommendations for soil data generators are to ensure precise metadata reporting and prioritizing sampling in underrepresented areas like tropical, arctic, mountainous, wetland and arid regions. We also encourage designing revisit schemes that explicitly support change detection and reporting multi-modal datasets that can aid in model development. Targeted measurement of low coverage soil data types and regions is necessary for a range of applications including current and future biogeochemical predictions, and their management and policy implications.

carbon fluxes↗

DOE OSTI2025

Metabolic skinflint or spendthrift? Insights into ground sloth integument and thermophysiology revealed by biophysical modeling and clumped isotope paleothermometry

Abstract Remains of megatheres have been known since the 18th -century and were among the first megafaunal vertebrates to be studied. While several examples of preserved integument show a thick coverage of fur for smaller ground sloths living in cold climates such as Mylodon and Nothrotheriops , comparatively very little is known about megathere skin. Assuming a typical placental mammal metabolism, it was previously hypothesized that megatheres would have had little-to-no fur as they achieved giant body sizes. Here the “hairless model of integument” is tested using geochemical analyses to estimate body temperature to generate novel models of ground sloth metabolism, fur coverage, and paleoclimate with Niche Mapper software. The simulations assuming metabolic activity akin to those of modern xenarthrans suggest that sparse fur coverage would have resulted in cold stress across most latitudinal ranges inhabited by extinct ground sloths. Specifically, Eremotherium predominantly required dense 10 mm fur with implications for seasonal changes of coat depth in northernmost latitudes and sparse fur in the tropics; Megatherium required dense 30 mm fur year-round in its exclusive range of cooler, drier climates; Mylodon and Nothrotheriops required dense 10–50 mm fur to avoid thermal stress, matching the integument remains of both genera, and further implying the use of behavioral thermoregulation. Moreover, clumped isotope paleothermometry data from the preserved teeth of four genera of ground sloth yielded reconstructed body temperatures lower than those previously reported for large terrestrial mammals (29 ± 2°–32 ± 3° C). This combination of low metabolisms and thick fur allowed ground sloths to inhabit various environments.

Deak, Michael D.↗

DOE OSTI2026

Product-promoted acetylene cyclotrimerization to benzene on Ag(111)

Acetylene cyclotrimerization to benzene on Ag(111) has recently been found to be 100% selective. However, it requires monolayer coverages, limiting its practical application due to the high pressure required to attain this surface coverage of acetylene near room temperature. Here, we show that co-adsorbed benzene, the reaction product, promotes cyclotrimerization at submonolayer acetylene coverages without compromising the 100% selectivity of Ag(111) via temperature-programmed desorption experiments. Scanning tunneling microscopy and density functional theory (DFT) calculations elucidate the origin of this effect whereby attractive acetylene–benzene interactions locally compress acetylene domains. DFT calculations further illustrate how co-adsorbed benzene reduces the transition-state energy for formation of the key C 4 intermediate, making cyclotrimerization competitive with desorption. Together, these findings reveal how product-reactant interactions can enhance C–C coupling.

Acetylene cyclotrimerization↗

DOE OSTI2025

Selective Isolation of Surface Grain Boundaries by Oxide Dielectrics Improves Cd(Se,Te) Device Performance

Cd(Se,Te) photovoltaics (PV) are the most widely deployed thin-film solar technology globally, yet continued efficiency improvements are stymied by challenges at the device hole contacts. The inclusion of solution-processed oxide layers such as AlGaO x in the contact stack has yielded improved device open-circuit voltages (V OC ) and fill factors (FF). However, contradictory mechanisms by which these layers improve the device properties have been proposed by the research community. We demonstrate in this work that an underappreciated property of such spin-coated layers is the preferential deposition at grain boundaries, a process that isolates the grain boundaries during contact metallization. The effects of grain-boundary isolation are probed by varying the coverage of solution-processed AlGaO x “barrier” layers on the Cd(Se,Te) surface, quantified by scanning Auger microscopy. Examining coverage-dependent V OC and FF, it was observed that isolating the grain boundaries during metallization is sufficient to prevent damage to the absorber that occurs in devices lacking a barrier layer, while additional coverage contributes to the increased series resistance. Such an effect is agnostic to the material used as a barrier layer, as long as the material does not itself damage the absorber. Spin-coated SiO x was used in place of AlGaO x for an equally beneficial effect. This grain-boundary isolation phenomenon is also observed during Mo deposition and in absorbers that have been contacted with a nitrogen-doped ZnTe layer. The mechanisms by which metallization may degrade the absorber are discussed, as are contact design strategies leveraging barrier layers, which may lead to improved device efficiencies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Probing the Effects of the First Atomic Layer on the Dynamic Behavior of Sub-2 nm MgO/Al 2 O 3 Memristors

As electronic devices continue to scale down from the current sub-5 nm range, atomic-scale control of defects becomes increasingly crucial to suppressing their impact on the physical properties of the devices. Memristors present an excellent example as a nonlinear and dynamic device with high speed and endurance required for electronic applications ranging from neuromorphic computing to nonvolatile memories. Herein we investigate the impact of atomic defects in sub-2 nm thick MgO/Al 2 O 3 atomic layer stack (ALS) memristors that use an M1 (switching layer)/M2 (oxygen vacancy reservoir layer) bilayer structure grown using in vacuo atomic layer deposition (iALD). Intriguingly, we revealed a direct correlation of the atomic defects in the M2 layer with the memristor dynamic behavior using a combined analysis of in situ scanning tunneling spectroscopy (iSTS) on the M2 layer and ex situ characterization on the memristors. Specifically, incomplete coverage of the 1st ALD atomic layer of M2 on the electrode yields defects at the M2/electrode interface. Despite the monotonic increase of ALD coverage, by almost three-fold from ~30% to >90%, at completion of the M2 layer of ~ 0.7 nm in thickness, the impact of the defects on the M2/electrode interface has been found detrimental to both memristor switching speed and endurance. Guided by atomistic simulation, we addressed the issue of interface defects via tuning of the Al surface hydroxylation to increase the first atomic layer ALD coverage to ~75%, leading to improved memristor switching speed and endurance by several orders of magnitude. In conclusion, these findings shed light on the correlation between the atomic defects and the dynamic behavior of sub-2 nm memristors and the importance of minimizing the atomic defects in memristors for future electronic applications.

Atomic Layer Deposition↗

DOE OSTI2026

Probing jet base emission of M87* with the 2021 Event Horizon Telescope observations

We investigate the presence and spatial characteristics of the jet base emission in M87* at 230 GHz, enabled by the significantly enhanced (u,v) coverage in the 2021 Event Horizon Telescope (EHT) observations. The integration of the 12−m Kitt Peak Telescope (USA) and NOEMA (France) stations into the array introduces two critical intermediate-length baselines to SMT (USA) and IRAM 30−m (Spain), providing sensitivity to emission structures at spatial scales of ∼250 μas and ∼2500 μas (∼ 0.02 pc and ∼ 0.02 pc). Without these new baselines, previous EHT observations of the source in 2017 and 2018 lacked the capability to constrain emission on large scales, where a “missing flux” of order ∼1 Jy is expected to reside. To probe these scales, we analyzed closure phases–robust against station-based gain calibration errors–and model the jet base emission using a simple Gaussian component offset from the compact ring emission at spatial separations > 100 μas. Our analysis revealed a Gaussian feature centered at (ΔRA ≈ 320 μ as, ΔDec. ≈ 60 μ as), projected separation of ≈ 5500 AU, with an estimated flux density of only ∼60 mJy, implying that most of the missing flux identified in previous EHT studies had to originate from different, larger scales. Brighter emission at the relevant spatial scales is firmly ruled out, and the data do not favor more complex models. This component aligns with the inferred position of the large-scale jet and is therefore physically consistent with the emission of the jet base. While our findings point to detectable jet base emission at 230 GHz, the limited coverage provided by only two intermediate baselines limits our ability to robustly reconstruct its morphology. Consequently, we treated the recovered Gaussian as an upper limit on the jet base flux density. Future EHT observations with expanded intermediate baseline coverage will be essential to constrain the structure and nature of this component with higher precision.

accretion, accretion disks↗

DOE OSTI2024

Formation of the oxyl’s potential energy surface by the spectral kinetics of a vibrational mode

One of the most reactive intermediates for oxidative reactions is the oxyl radical, an electron-deficient oxygen atom. The discovery of a new vibration upon photoexcitation of the oxygen evolution catalysis detected the oxyl radical at the SrTiO3 surface. The vibration was assigned to a motion of the sub-surface oxygen underneath the titanium oxyl (Ti–O●−) created upon hole transfer to (or electron extraction from) a hydroxylated surface site. Evidence for such an interfacial mode is derived from its spectral shape, which exhibited a Fano resonance—a coupling of a sharp normal mode to continuum excitations. Here, this Fano resonance is utilized to derive precise formation kinetics of the oxyl radical and its associated potential energy surface (PES). From the Fano lineshape, the formation kinetics are obtained from the anti-resonance (the kinetics of the coupling factor), the resonance (the kinetics of the coupled continuum excitations), and the frequency integrated spectrum (the kinetics of the normal mode’s cross-section). All three perspectives yield logistic function growth with a half-rise of 2.3 ± 0.3 ps and a time constant of 0.48 ± 0.09 ps. A non-equilibrium transient associated with photoexcitation is separated from the rise of the equilibrated PES. The logistic function characterizes the oxyl coverage at the very initial stages (t ∼ 0) to have an exponential growth rate that quickly decreases toward zero as a limiting coverage is reached. Such time-dependent reaction kinetics identify a dynamic activation barrier associated with the formation of a PES and quantify it for oxyl radical coverage.

Chemistry↗

DOE OSTI2026

Machine Learning for Mapping Multipactor Susceptibility in RF Systems: Capabilities and Generalization Constraints

Multipactor is a surface-driven electron avalanche phenomenon that degrades the performance and reliability of radio-frequency (RF) systems in particle accelerator and vacuum electronics applications. Multipactor behavior in a given device structure is conventionally assessed through susceptibility charts, which provide a parameter-space characterization of the instability. In this work, we assess the capabilities of machine-learning (ML) models to learn and predict such susceptibility charts and analyze the constraints governing their generalization across materials. Using a simulation-derived dataset spanning six distinct secondary-electron-yield material profiles in a canonical two-surface planar geometry, we train supervised regression models and artificial neural networks to predict the time-averaged electron growth rate, δavg, across the relevant parameter space. Model performance is evaluated using metrics that explicitly probe the structure of susceptibility charts, including Intersection over Union, Structural Similarity Index, and correlation analysis. Tree-based ensemble models outperform neural-network models in reconstructing susceptibility regions and in generalizing across material domains. Principal-component analysis reveals disjoint material feature distributions, indicating that the piecewise mode structure of multipactor susceptibility is difficult to represent with a single global model and that generalization is constrained by data coverage rather than by model complexity. An exhaustive reduced-coverage study further shows that sparse material-space coverage can yield mean performance in the same general range but producing large variability in the susceptibility-region overlap. These results clarify the capabilities of ML-based surrogate models for parameter-space characterization of multipactor discharge. They also provide guidance for their appropriate use in RF system design.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Characteristics of a cost-effective blood test for colorectal cancer screening

Background: Blood-based biomarker tests can potentially change the landscape of colorectal cancer (CRC) screening. We characterize the conditions under which blood test screening would be as effective and cost-effective as annual fecal immunochemical testing or decennial colonoscopy. Methods: We used the 3 Cancer Information and Surveillance Modeling Network–Colon models to compare scenarios of no screening, annual fecal immunochemical testing, decennial colonoscopy, and a blood test meeting Centers for Medicare & Medicaid (CMS) coverage criteria (74% CRC sensitivity and 90% specificity). We varied the sensitivity to detect CRC (74%-92%), advanced adenomas (10%-50%), screening interval (1-3 years), and test cost ($25-$500). Primary outcomes included quality-adjusted life-years (QALY) gained from screening and costs for a US average-risk cohort of individuals aged 45 years. Results: Annual fecal immunochemical testing yielded 125-163 QALY gained per 1000 at a cost of 3811-5384 dollars per person, whereas colonoscopy yielded 132-177 QALY gained at a cost of 5375-7031 dollars per person. A blood test with 92% CRC sensitivity and 50% advanced adenoma sensitivity yielded 117-162 QALY gained if used every 3 years and 133-173 QALY gained if used every year but would not be cost-effective if priced above $$125 per test. If used every 3 years, a $500 blood test only meeting CMS coverage criteria yielded 83-116 QALY gained at a cost of $8559-$9413 per person. Conclusion: Blood tests that only meet CMS coverage requirements should not be recommended to patients who would otherwise undergo screening by colonoscopy or fecal immunochemical testing because of lower benefit. Blood tests need higher advanced adenoma sensitivity (above 40%) and lower costs (below $125) to be cost-effective.

60 APPLIED LIFE SCIENCES↗