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DOE OSTI2023

Comparison of the stellar populations of bulges and discs using the MaNGA survey

We use the MaNGA integral field spectroscopic survey of low-redshift galaxies to compare the stellar populations of the bulge and disc components, identified from their Sérsic profiles, for various samples of galaxies. Bulge-dominated regions tend to be more metal-rich and have slightly older stellar ages than their associated disc-dominated regions. The metallicity difference is consistent with the deeper gravitational potential in bulges relative to discs, which allows bulges to retain more of the metals produced by stars. The age difference is due to star formation persisting longer in discs relative to bulges. Relative to galaxies with lower stellar masses, galaxies with higher stellar masses tend to have bulge-dominated regions that are more metal-rich and older (in light-weighted measurements) than their disc-dominated regions. This suggests high-mass galaxies quench from the inside out, while lower-mass galaxies quench across the whole galaxy simultaneously. Early-type galaxies tend to have bulge-dominated regions the same age as their disc-dominated regions, while late-type galaxies tend to have disc-dominated regions significantly younger than their bulge-dominated regions. Central galaxies tend to have a greater metallicity difference between their bulge-dominated regions and disc-dominated regions than satellite galaxies at similar stellar mass. This difference may be explained by central galaxies being subject to mergers or extended gas accretion bringing new, lower-metallicity gas to the disc, thereby reducing the average metallicity and age of the stars; quenching of satellite discs may also play a role.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Visualizing the impact of quenched disorder on 2D electron Wigner solids

Electron Wigner solids (WSs) provide an ideal system for understanding the competing effects of electron–electron and electron–disorder interactions, a central unsolved problem in condensed matter physics. Progress in this topic has been limited by a lack of single-defect-resolved experimental measurements as well as accurate theoretical tools to enable realistic experiment/theory comparison. Here, in this study, we overcome these limitations by combining atomically resolved scanning tunnelling microscopy (STM) with neural-quantum-state quantum Monte Carlo (NQS-QMC) simulation of disordered 2D electron WSs to discover new disorder-induced physical regimes of correlated electron behaviour. STM was used to image the electron density (n e )-dependent evolution of electron WSs in gate-tunable bilayer MoSe 2 (BL-MoSe 2 ) devices with varying long-range (n LR ) and short-range (n SR ) disorder densities. These images were compared with NQS-QMC simulations using realistic disorder maps extracted from experiment, thus allowing the roles of different disorder types to be disentangled. We identify two distinct physical regimes for disordered electron WSs that depend on n SR . For n SR ≲ n e , the WS behaviour is dominated by long-range disorder and features extensive mixed solid–liquid phases, a new type of local re-entrant melting/crystallization and prominent Friedel oscillations. By contrast, when n SR ≫ n e , these features are suppressed and a more robust amorphous WS phase emerges that persists to higher n e , highlighting the importance of short-range disorder in this regime. Our work establishes a powerful framework for studying disordered quantum solids through a combined experimental–theoretical approach.

Ge, Zhehao [University of California, Berkeley, CA↗

DOE OSTI2021

The spin selectivity effect in chiral materials

We overview experiments performed on the chiral induced spin selectivity (CISS) effect using various materials and experimental configurations. Through this survey of different material systems that manifest the CISS effect, we identify several attributes that are common to all the systems. Among these are the ability to observe spin selectivity for two point contact configurations, when one of the electrodes is magnetic, and the correlation between the optical activity of the chiral systems and a material’s spin filtering properties. In addition, recent experiments show that spin selectivity does not require pure coherent charge transport and the electron spin polarization persists over hundreds of nanometers in an ordered medium. Finally, we point to several issues that still have to be explored regarding the CISS mechanism. Among them is the role of phonons and electron–electron interactions.

36 MATERIALS SCIENCE↗

NASA NTRS2004

Dynamics of the Cold Water Event off the Southeast Coast of the United States in the Summer of 2003: An Application of NASA's Remote Sensing Data to Coastal Studies

The Moderate Resolution Imaging Spectroradiometer (MODIS) instruments onboard of Terra and Aqua satellites provide, for the first time, concurrent measurements of sea surface temperature (SST) and ocean color, which are suitable for coastal upwelling studies. The accuracy, the 1-km spatial resolution, and the almost complete daily coverage of the MODIS data compared with historical measurements make it advantageous for resolving important coastal fronts of chlorophyll concentration and temperature. The cold SST anomaly during summer 2003 off the coast of the South Atlantic Bight is an event that is comprehensively covered by NASA's MODIS and SeaWinds satellite observations. These data combined with in situ tide gauge, mooring, and ship measurements can be used to identify important dynamics responsible for the anomalous cold water event. The analysis of the data suggests that coastal upwelling occurs in the climatological summer forced by the climatological southerlies over the South Atlantic Bight area in summer. However, the strong buoyancy barrier in summer prevents the cold water below the thermocline from reaching the ocean surface. In summer 2003, the southwesterlies in July through August were extraordinarily strong and persistent, which generated the upwelling currents strong enough to overcome the buoyancy resistance. The results of this analysis demonstrate the possibility of monitoring and forecasting the event using combination of the satellite and in situ observations. The MODIS data are archived and distributed by the NASA's Goddard Earth Science (GES) Distributed Active Archive Center (DAAC). The data can be accessed via the URL http://wwv.daac.gsfc.nasa.gov/MODIS.

Yuan, Dongliang↗

NASA NTRSDate not supplied

Long-Term Health Risk Quantification

Astronauts face hazards during spaceflight, including space radiation exposure, isolation and confinement, traveling far distances from Earth, reduced gravity levels, and closed and hostile environments. These hazards drive the definition of human health and performance risks associated with spaceflight. NASA’s Human System Risk Board maintains the human spaceflight risk posture for in-mission risks, as well as post-flight, Long-Term Health (LTH)risks potentially occurring later in the astronaut’s life. LTH risk encompasses the timeframe from immediately post-flight, through the rest of an astronaut’s career, through retirement, and until death. Possible LTH risk outcomes include the time and interventions needed for the astronaut to return to preflight physiological states after experiencing spaceflight hazards and recovery from any in-mission medical events that persist into the post-flight timeframe. It includes chronic complications that may arise due to experiencing in-flight medical conditions or injuries and medical conditions that occur later in life with a higher probability of occurrence or with more severity because of their spaceflight exposure. Finally, LTH risk outcomes can also include a reduction in life expectancy due to spaceflight exposures. There have been 144 medical conditions identified by NASA’s Lifetime Surveillance of Astronaut Health team to be associated with LTH risk. Epidemiological studies have been performed for some of these conditions to determine if astronauts suffer from an increased prevalence or severity of the condition due to their spaceflight experience compared to a comparable cohort .Differences in astronaut mortality or morbidity due to spaceflight experience were not detected in several of these studies. There were two cases where a modest increase in the incidence rate of astronaut LTH outcomes was detected. The first suggested an increase in the incidence of melanoma cases in astronauts, where the number of cases in astronauts were similar to the elevated number of cases observed in airplane pilots. The second provided some evidence of elevated numbers of cardiovascular disease events in astronauts compared to an appropriate healthy comparator cohort, which may warrant additional investigation. The lack of detection of LTH risk outcomes should not ease concerns about astronaut LTH. The studies highlighted here constitute only a small portion of the potential LTH conditions that could occur. Once epidemiological studies are performed on all conditions, significant findings may be detected. The analysis of astronaut LTH also suffers from limited numbers of data points because of the limited numbers of astronauts overall and the even fewer who have reached an age where LTH outcomes may begin to manifest. As shuttle and ISS astronauts begin to age and increase the feasibility of analysis, LTH outcomes may be detected. An application of risk quantification is the use of risk metrics within trade studies for resource prioritization and decision making. Trade studies regarding countermeasures to LTH risk outcomes would benefit from a quantification of LTH risk. NASA has ground-based processes in place such as astronaut screening and access to continuous medical monitoring and care during and after their astronaut career which are the main methods for mitigating LTH risk. In-mission countermeasures, such as acceptable levels of medical care and available countermeasures to counter spaceflight related physiological decrements, can mitigate a poor health and performance status immediately post-flight. Identifying appropriate risk metrics, obtaining valid quantities for them, and tying them to LTH countermeasures are necessary steps for realizing their use in trade studies. This presentation will highlight the challenges associated with the identification, quantification, and utilization of LTH risk metrics

Beth Lewandowski↗

DOE OSTI2023

Fluorescent aggregate structure revealed in bisphenol F epoxy thermoset

Bisphenol F (BPF) epoxy resin is a prepolymer component of thermosets used in construction of reinforced carbon fiber composites (RCFC). The fluorescence of this resin can provide information about chemical and structural alterations of the thermoset from thermal or mechanical damage. While some work has investigated the fluorescence spectra of bisphenol A epoxy resin, a structural analog of BPF, none have studied BPF. The purpose of this study is to investigate the baseline fluorescence spectra of the BPF epoxy resin for features that could be utilized for monitoring damage and structural alterations. Bisphenol F epoxy resin was found to have two emission peaks with a broad peak centered at 410 nm and a sharp peak centered at 550 nm. The broad emission peak was identified as the fluorescence from BPF epoxy monomer while the sharp emission peak was found to be from an aggregate structure present in the epoxy resin. It is hypothesized that this structure is an H-aggregate based on the emission features and structural stability of the aggregate compared to the alternative J-aggregate which was determined via density functional theory calculations. The H-aggregate was found to persist into one of the cured thermoset formulations evaluated but was lost when exposed to elevated temperatures below thermal degradation of the thermoset. This loss of aggregate structure was due to polymer network rearrangement. This new fluorescence signature can be used as an indicator of polymer network rearrangement from thermal exposure which may alter the expected material performance and precede thermal degradation.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Topology-Informed Design Rules for Deconstructable Thermoset Copolymer Networks

Existing models of thermoset deconstruction facilitated by incorporating cleavable comonomers rely on a mean-field reverse gel point paradigm, which predicts network dissolution once cleavable bonds reach a critical stoichiometric threshold, but does not account for where those bonds reside within the network architecture. Using reactive coarse-grained molecular dynamics simulations coupled with graph-theoretic analysis, we extend this stoichiometric picture to show that deconstructability is governed by the curing-imprinted network topology rather than stoichiometry alone. This topological organization is hierarchical: at the local scale, the elastic effectiveness of cross-link junctions determines which cross-links constitute the load-bearing scaffold; at the mesoscale, the cross-linking rate kinetically templates that scaffold into topologically modular communities─densely cross-linked clusters connected by sparse bridging strands that sustain network connectivity. Using betweenness centrality to identify nodes that disproportionately lie on intercommunity shortest paths, we demonstrate that effective deconstruction of the network into macromolecular fragments requires cleavable comonomers to intercept these high-centrality bridging strands. We further find that under uniform, disassortative comonomer incorporation, this topological requirement provides a mechanistic basis for extending the reverse gel point to incorporate network topology. We also show that modularity imposes a fundamental limit on fragment uniformity that persists even when the centrality requirement is met. Finally, we demonstrate that chain stiffness provides a nearly independent lever to suppress mechanically redundant cross-links and raise the glass transition temperature without significantly altering the deconstruction outcome. Together, these findings reframe the thermoset design space around network topology and provide actionable guidelines for engineering thermoset copolymers with predictable deconstructability and targeted thermomechanical performance.

coarse-grained molecular dynamics↗

DOE OSTI2026

Continuity of reaction kinetics across the pressure and materials gaps in CO oxidation on FeO–Pt interfaces

Translating atomic-scale insights from surface science studies of model catalysts to practical powder catalysts remains a persistent challenge in heterogeneous catalysis. Here, in this study, we demonstrate mechanistic continuity across the pressure and materials gaps during CO oxidation at the FeO-Pt interface using in situ microscopy, spectroscopy and computational modelling. Under reaction conditions, coordinatively unsaturated Fe (Fe cus ) sites at the interface enable selective O 2 activation on CO-saturated surfaces, circumventing the CO-poisoning limitation of platinum-group metals. We identify parallel reaction pathways involving the *O 2 -*CO intermediate. Remarkably, activation energies remain consistent at 12-15 kJ mol −1 (0.12-0.16 eV) from ultrahigh vacuum to atmospheric pressures and from FeO/Pt(111) model catalysts to FeO/Pt powder catalysts, validating mechanistic insights derived from surface science studies. Our findings show an example of bridging the long-standing divide between model and practical catalyst systems, establishing an effective approach to capture catalytic behaviours under operational conditions and advancing mechanism-driven catalyst design.

03 NATURAL GAS↗

DOE OSTI2020

Low-Income Energy Affordability: Conclusions From A Literature Review

This paper examines the persistent problem of high energy burdens among low-income households, based on a review of more than 180 publications that pointed to several promising opportunities to address energy affordability including inclusive solar programs, leveraged health care benefits, and behavioral economics. using an equity and affordability lens. Even after decades of weatherization and bill-payment programs, low-income households, on average, continue to spend a higher share of their income on electricity and natural gas bills than any other income group. Energy burden for low-income households is not declining, and it remains persistently high, particularly in the South, in rural America, among minority households, and those with children and elderly residents. On a per household basis, utility companies spend less on energy-efficiency programs for low-income households than for other income groups. In addition, government and utility programs that promote rooftop solar power, electric vehicles, and home energy storage are largely inaccessible to low-income households. Our review identifies promising opportunities to address energy affordability including inclusive solar programs, leveraged health care benefits, behavioral economics, data analytics, advanced information and communication technologies, and grid resiliency. Scalable approaches require linking implementing agencies, programs and policies to tackle the complex web of causes and impacts on low-income households with high energy burdens.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Snow ALbedo eVOlution (SALVO) Campaign Snow Depth and Related Surface Properties from April - June, 2024 in Utqiagivk, AK

Detailed transects of snow depths and related measurements were made with a magnaprobe along fixed lines in Utqiagvik, AK. The operator measures snow depth by plunging a rod with a sliding basket into the snow and pressing a trigger. At this point, the data logger records the distance between the tip of the rod and the height of the basket, the measurement number, the time, and the geographic location of the measurement. To measure snow depth, the rod tip must be placed at the snow-ground or snow-sea ice interface. The interface can be hard or soft; in the latter case, it is possible to “over-probe”, producing a snow depth that is too high. At times, the probe was also used to measure the depths of other interfaces within the snowpack (for example, the depth to persistent ice lenses) or the water depths of ponds atop the tundra or sea ice. When these alternative depth measurements were made, the operator recorded the location, measurement number, and composition of the alternative depth measurement in a field notebook. The data logger on the probe stores several thousand points. Data is downloaded to a computer at the end of a day or several days. Probes: We used 2 magnaprobes identified as GEO1 and GEODEL with the following serial numbers: S/N 20240416 (GEO1) and S/N P48066 (GEODEL). Note : There are three data levels available with this dataset: b3, b4, and a6. New users of these data are strongly encouraged to use the level a6 or b4 data.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1985

Native hole trap in bulk GaAs and its association with the double-charge state of the arsenic antisite defect

A dominant hole trap has been identified in p-type bulk GaAs employing deep level transient and photocapacitance spectroscopies. The trap is present at a concentration up to about 4 x 10 to the 16th per cu cm, and it has two charge states with energies 0.54 + or - 0.02 and 0.77 + or - 0.02 eV above the top of the valence band (at 77 K). From the upper level the trap can be photoexcited to a persistent metastable state just as the dominant midgap level, EL2. Impurity analysis and the photoionization characteristics rule out association of the trap with impurities Fe, Cu, or Mn. Taking into consideration theoretical results, it appears most likely that the two charge states of the trap are the single and double donor levels of the arsenic antisite As(Ga) defect.

Lagowski, J.↗

NASA NTRS2016

A Human-in-the Loop Evaluation of a Coordinated Arrival Departure Scheduling Operations for Managing Departure Delays at LaGuardia Airport

LaGuardia (LGA) departure delay was identified by the stakeholders and subject matter experts as a significant bottleneck in the New York metropolitan area. Departure delay at LGA is primarily due to dependency between LGA's arrival and departure runways: LGA departures cannot begin takeoff until arrivals have cleared the runway intersection. If one-in one-out operations are not maintained and a significant arrival-to-departure imbalance occurs, the departure backup can persist through the rest of the day. At NASA Ames Research Center, a solution called "Departure-sensitive Arrival Spacing" (DSAS) was developed to maximize the departure throughput without creating significant delays in the arrival traffic. The concept leverages a Terminal Sequencing and Spacing (TSS) operations that create and manage the arrival schedule to the runway threshold and added an interface enhancement to the traffic manager's timeline to provide the ability to manually adjust inter-arrival spacing to build precise gaps for multiple departures between arrivals. A more complete solution would include a TSS algorithm enhancement that could automatically build these multi-departure gaps. With this set of capabilities, inter-arrival spacing could be controlled for optimal departure throughput. The concept was prototyped in a human-in-the- loop (HITL) simulation environment so that operational requirements such as coordination procedures, timing and magnitude of TSS schedule adjustments, and display features for Tower, TRACON and Traffic Management Unit could be determined. A HITL simulation was conducted in August 2014 to evaluate the concept in terms of feasibility, controller workload impact, and potential benefits. Three conditions were tested, namely a Baseline condition without scheduling, TSS condition that schedules the arrivals to the runway threshold, and TSS+DSAS condition that adjusts the arrival schedule to maximize the departure throughput. The results showed that during high arrival demand period, departure throughput could be incrementally increased under TSS and TSS+DSAS conditions without compromising the arrival throughput. The concept, operational procedures, and summary results were originally published in ATM20151 but detailed results were omitted. This paper expands on the earlier paper to provide the detailed results on throughput, conformance, safety, flight time/distance, etc. that provide extra insights into the feasibility and the potential benefits on the concept.

trajectory-based operations↗

NASA NTRS2020

Trident: The Path to Triton on a Discovery Budget

Dissley, Richard↗

NASA NTRS2020

Trident: The Path to Triton on a Discovery Budget

This paper describes Trident, a proposed Discovery mission to Neptune’s moon Triton, 30 AU from the Sun. Triton formed in the Kuiper Belt but was captured by Neptune into a highly-inclined retrograde orbit, where tidal forces thawed its interior, forming an ocean that likely persists to the present day. Recent outer solar system missions like Cassini and New Horizons have yielded completely new models for processes on ocean worlds, active worlds, and KBOs. Triton isn’t just a key to solar system science, it’s a whole keyring: a singular captured KBO and evolved ocean world, with active plumes, an energetic ionosphere, and a young unique surface. The NASA OPAG Roadmap to Ocean Worlds identifies Triton as the highest priority candidate ocean world [1], ripe for investigation. The Trident mission concept is an excellent case study in “design to cost”: we show how exploration of Triton under Discovery is made possible by radioisotope power combined with a rare, extremely efficient Jupiter gravity assist, enabling a simple, lowmass spacecraft design on a ballistic trajectory. The Triton encounter sequence probes for an ocean, measures the ionosphere, and views nearly the whole of Triton as it traverses a single orbit around Neptune, mapping the >60% of the surface that is as yet unseen. The Triton encounter concludes with fullframe imaging illuminated by “Neptune-shine” when Trident is in Neptune eclipse, for direct comparison with Voyager 2’s observations nearly 50 years prior. Trident carries a mature complement of instruments: a Magnetometer, IR Spectrometer & Narrow Angle Camera, Wide-Angle Camera, Plasma Spectrometer, and telecom hardware-enabled Radio Science. The flight system design integrates heritage components from Ball with JPL leadership and expertise in key specialty areas to provide a Voyager-like, robust spacecraft commensurate with a Discovery cost and risk tolerance. Cost avoidance features include: use of existing instrument designs, small blowdown monopropellant propulsion system, a contributed X-band telecommunications system that also performs radio science, and a simple power system. Additionally, the passive thermal design accommodates the large solar dynamic range from Venus to Neptune by using the HGA for shade when close to the sun, and MMRTG excess heat, modulated by louvers.

Frazier, William↗

DOE OSTI2024

Reducing uncertainty of polar to midlatitude linkages using DOE’s E3SM in a coordinated model-experiment setting

This project brought DOE’s climate modeling effort with the Energy Exascale Earth System Model into the Polar Amplification Model Intercomparison Project (PAMIP), which is part of the sixth and latest Coupled Model Intercomparison Project, CMIP6. PAMIP examines the causes and consequences of polar amplification, when external forcing results in a larger temperature increase in high latitudes than the global average, in a coordinated set of model experiments with a common modeling protocol. Our teams from UC Irvine and the University of Toronto have designed, carried out, analyzed, and disseminated PAMIP output from the Energy Exascale Earth System Model (E3SM) and the Community Earth System Model (CESM). PAMIP’s ongoing stream of significant new results have advanced progress in the community’s understanding and led to new outstanding research questions that have motivated further work. PAMIP has led to improved consensus on the atmospheric response to sea ice loss. The important finding is that for a similar sea ice anomaly forcing, the simulated atmospheric response in the troposphere is remarkably consistent among the 16 models’ runs analyzed. The zonal-mean tropospheric response consists of a very robust equatorward shift of the westerly flow in mid-latitudes. However, while the multi-model mean response is robust, it has a weak amplitude relative to internal variability. We identified a weakness in the models (including E3SM) in terms of their response to sea-ice forcing that is related to eddy forcing (or nonlinear dynamical effects) at mid- to high latitudes. In fact, E3SM is an outlier in terms of the models participating, and in that sense, it turned out to be a vital participant model. We found that reductions in energy transport due sea-ice loss and involving dry air only are compensated by increases in moist energy transport from warmer sea surface temperature in midlatitudes. This leads to a large spread in energy transport into the Arctic and is a potential source of spread in Arctic amplification. We identified an important role that climate modes, including tropical modes of variability (El Nino and the Southern Oscillation (ENSO); the Quasi-biennial Oscillation (QBO)) play in the response to sea-ice anomalies, including in ocean coupled experiments. Similarly, we identified and quantified the contribution of sea-ice thickness to the atmospheric response compared to the response to sea-ice extent only. We found that it is important to run large ensembles and even with an ensemble size of 100 simulations the response is largely influenced by internal variability. We demonstrated convincingly that Ural blocking, not sea-ice loss, provides the weakening of the stratospheric polar vortex in fall/early winter and a negative phase of the North Atlantic Oscillation that can last for up to two months. However, sea-ice anomalies can influence the background flow so that the response to Ural blocking is more persistent under low sea-ice conditions in the Barents/Kara Sea than high sea ice Atmospheric model hierarchies that progressively add individual processes have a long history in providing dynamical insight for modeling the atmosphere. Similarly, coupled model hierarchies that progressively add individual ocean processes can provide insights into the workings of the coupled climate system, however such hierarchies have not been available except for a non-dynamical slab ocean model. Because of the missing processes, surface flux corrections must be added to produce a target climate. In this project, we managed to overcome this problem and develop a globally coupled ocean model hierarchy in CESM that can turn on and off the processes of mixed-layer entrainment and Ekman flow. We used the hierarchy to study the impact of Arctic sea-ice loss on the climate system. We find that the effect of mixed-layer entrainment on ocean heat uptake influences the atmospheric circulation by shifting the latitudinal positions of the mid-latitude westerly jet and the Intertropical Convergence Zone (ITCZ). In quadrupled CO 2 experiments, we studied how air-sea coupling affects the response of tropical rainfall under global warming. In order to identify the importance of individual ocean processes, we used the hierarchy of ocean models to separate the effects of seasonal mixed-layer entrainment, wind-driven Ekman flows, and frictional flows. We showed that including Ekman and frictional flows allows our simulation to produce the Pacific Ocean's enhanced equatorial warming pattern and equatorward ITCZ contraction noted in previous climate simulations. We also showed that the frictional flow, which has yet to receive much attention, is as important as the Ekman flow in generating equatorial heat convergence.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

An arbitrary Lagrange-Eulerian investigation of HRAM shallow jet pre-spurt formation and time sensitivities to impact plate dynamics

With dry bay fires persisting as a significant contributor to aircraft vulnerability despite chronicled developments in survivability technologies, an accurate fire prediction capability remains paramount for credible vulnerability assessments. Physics based modeling of the hydrodynamic ram (HRAM) fluid deposition process is a key component of such capability, wherein capturing the first instance of fluid spurt, referred to herein as shallow jet spurts, is a core focus. Such pre-spurts as they have been formerly identified have only been witnessed sporadically in HRAM spurt experiments. In this work, ALE3D, a first-principles multi-physics code was employed to model the shallow jet spurt phenomenon with spherical projectiles impacting water-filled tanks faced with aluminum panels, such that the underlying physics and sensitivities could be explored. Development and verification of the 2D axisymmetric model is described relative to trends observed in a prior experimental campaign. Results from the verified model suggest shallow jet spurts have at least a quadratic sensitivity to the fundamental vibrational mode of the impact plate across impact velocities 610–1829 m/s (2000–6000 ft/s). It is further explained how shallow jet spurts are arrested for impacts at the two extremes of plate rigidity. This research constitutes the first fluid-structure modeling of shallow jet spurts which future three-dimensional analyses will expound upon.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Genomic and environmental controls on Castellaniella biogeography in an anthropogenically disturbed subsurface

Castellaniella species have been isolated from a variety of mixed-waste environments including the nitrate and multiple metal-contaminated subsurface at the Oak Ridge Reservation (ORR). Previous studies examining microbial community composition and nitrate removal at ORR during biostimulation efforts reported increased abundances of members of the Castellaniella genus concurrent with increased denitrification rates. Thus, we asked how genomic and abiotic factors control the Castellaniella biogeography at the site to understand how these factors may influence nitrate transformation in an anthropogenically impacted setting. We report the isolation and characterization of several Castellaniella strains from the ORR subsurface. Five of these isolates match at 100% identity (at the 16S rRNA gene V4 region) to two Castellaniella amplicon sequence variants (ASVs), ASV1 and ASV2, that have persisted in the ORR subsurface for at least 2 decades. However, ASV2 has consistently higher relative abundance in samples taken from the site and was also the dominant blooming denitrifier population during a prior biostimulation effort. We found that the ASV2 representative strain has greater resistance to mixed metal stress than the ASV1 representative strains. We attribute this resistance, in part, to the large number of unique heavy metal resistance genes identified on a genomic island in the ASV2 representative genome. Additionally, we suggest that the relatively lower fitness of ASV1 may be connected to the loss of the nitrous oxide reductase (nos) operon (and associated nitrous oxide reductase activity) due to the insertion at this genomic locus of a mobile genetic element carrying copper resistance genes. This study demonstrates the value of integrating genomic, environmental, and phenotypic data to characterize the biogeography of key microorganisms in contaminated sites.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Application of electron beam technology to decompose persistent emerging drinking water contaminants: poly- and perfluoroalkyl substances (PFAS) and 1,4-Dioxane

Poly- and perfluoroalkyl substances (PFAS) and 1,4-dioxane are persistent emerging contaminants that are currently under consideration for federal and state-specific regulations in drinking water. Both PFAS and 1,4-dioxane are highly resistant to degradation and are not effectively removed by conventional drinking water treatment systems. Results from the Unregulated Contaminant Monitoring Rule 3 survey showed that >540 sites across the nation are contaminated with both PFAS and 1,4-dioxane. Hence, there is a need to identify technologies that can effectively remove both these contaminants. Water treatment via electron beam (e-beam) has been proven effective at treating a wide range of contaminants, including perfluorooctane sulfonate (PFOS), perfluorooctanoate (PFOA), polychlorinated biphenyls, and trichloroethylene. While the e-beam process is often considered similar to advanced oxidation processes (AOPs), e-beam technology is unique in that it produces both highly oxidizing and reducing species at the same time. The specific objectives of this study were to: (i) determine the effectiveness of 9 MeV electrons provided by the Fermilab’s Accelerator Application Development and Demonstration (A2D2) tool to decompose PFAS and 1,4-dioxane; (ii) assess the formation of byproducts during water treatment; (iii) apply the optimized treatment to field groundwater samples contaminated with PFAS and 1,4-dioxane, and (iv) assess the energy demands for the treatment of these contaminants using e-beam. Results from this study showed that e-beam is effective in treating both 1,4-dioxane and PFAS. Complete degradation of 1,4-dioxane was observed at a dose of 5 kGy for an initial concentration of up to 1 ppm without the need for any sample modification. The electrical energy per order (EEo) for treatment of 1,4-dioxane ranged from 0.46 to 0.72 kWh/m 3 /order and was comparable and even lower, in some cases, than other AOP technologies. Alkaline conditions (pH 13) and low dissolved oxygen concentration (2 mg/L) highly favored the treatment of PFAS by e-beam. Greater than 90% removal of PFOA and PFOS from an initial concentration of 100 to 500 ppb was achieved at a dose of 250 kGy and 500 kGy, respectively, under optimized conditions. The degradation efficiency was not significantly changed when treating other PFAS of fluorinated carbon chain length of 5 to 7 individually at 250 kGy with a removal ranging from 85¬–99% for different compounds. Short chain PFAS (perfluorobutanoate: PFBA and perfluorobutane sulfonate: PFBS) did not degrade under the same conditions at 250 kGy, but 70 to 99% degradation was observed at a higher dose of 1000 kGy. Short chain PFAS (perfluorohexanoate: PFHxA (C5) and perfluoroheptanoate: PFHpA (C6)) were detected after treatment of PFOA, but not after PFOS treatment. Inability to close the mass balance through targeted analysis suggests the presence of other intermediates not detectable by available analytical methods. When treating PFAS mixture containing ten compounds at equimolar concentration of 0.05 µM each, preferential degradation of polyfluorinated compound (6:2 fluorotelomer sulfonate or 6:2 FTS) followed by C8 and C7 compounds was observed as a function of increasing e-beam dose. About 30% degradation of ΣPFAS was observed at 250 kGy and no further removal was observed up to a dose of 1000 kGy. C4 to C6 PFASs showed no degradation, while C3 PFAS (PFBS) showed an increase in concentration by 34% at 1000 kGy due to formation from the breakdown of other long chain PFAS. These results suggested that (a) the reaction kinetics is likely different for different PFAS based on chain length, functional group, and the degree of fluorination of the carbon chain, and (b) there may be intermediates generated from the degradation of 6:2 FTS and C7/C8 compounds that can potentially scavenge hydrated electrons needed for reaction with the untreated PFAS molecules. Treatment of three PFAS-contaminated groundwater samples from two US states showed similar trends as observed in the treatment of equimolar PFAS mixtures. Up to 71% removal of ΣPFAS was achieved in real groundwater samples at 750 kGy and data trend suggested that higher degradation is feasible if higher doses (>1MGy) are applied to treat field samples to overcome matrix effects and competing species. Calculated EEo for PFAS ranged from as low as ~48 to 1081 kWh/m 3 /order depending on the type of PFAS treated. These values are comparable and even lower, in some cases, than other destructive technologies employed for PFAS treatment such as ultrasound, plasma, and photochemical treatment. The results from this study indicate e-beam is a promising approach under favorable conditions and should be explored further as an end-of-train treatment option for PFAS destruction.

1,4-Dioxane↗