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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Magnetic anisotropy and two-dimensional short-range chemical ordering in Ba 1−𝑥 ⁢Na 𝑥 ⁢Fe 2 ⁢As 2

A true understanding of the properties of pnictide superconductors requires the development of high-quality materials and performing measurements designed to unravel their intrinsic properties and short-range nematic correlations which are often obscured by extrinsic effects such as poor crystallinity, inhomogeneity, domain formation, and twinning. Here, in this paper, we report the systematic growth of high-quality Na-substituted BaFe 2 As 2 single crystals and their characterization using pulsed magnetic fields x-ray diffraction and x-ray diffuse scattering. Analysis of the properties and compositions of the highest-quality crystals shows that their actual Na stoichiometry is about 50-60% of the nominal content and that the targeted production of crystals with specific compositions is accessible. We derived a reliable equation to estimate the Na stoichiometry based on the measured superconducting T c of these materials. Attempting to force spin reorientation and induce tetragonality, orthorhombic Ba 1-x Na x Fe 2 As 2 single crystals subjected to out-of-plane magnetic fields up to 31.4T are found to exhibit strong in-plane magnetic anisotropy demonstrated by the insufficiency of such high fields in manipulating the relative population of their twinned domains or in suppressing the orthorhombic order. Broad x-ray diffuse-intensity rods observed at temperatures between 30 and 300 K uncover short-range structural correlations. Local structure modeling together with 3D-Δ pair-distribution function mapping of real-space interatomic vectors show that the diffuse scattering arises from in-plane short-range chemical correlations of the Ba and Na atoms coupled with short-range atomic displacements within the same plane due to an effective size difference between the two atomic species.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Contact patterns in wild pigs ( Sus scrofa ) from GPS tracking reveal spatial and temporal dynamics of social behaviour

Wild pig ( Sus scrofa Linnaeus, 1758) social behaviour affects disease transmission and landscape-level population management. Recent research has incorporated analysis of social structure to better understand the risk of disease transmission in wild pigs, although the relationship between overall social structure of wild pigs remains unclear. Here, we seek to improve understanding of the spatial and temporal dynamics of wild pig social structure and contact rates to better inform management strategies. Using GPS tracking data, we measured home range overlap, and estimated contact rates of wild pigs at four study sites in the southern USA to identify pairwise social associations (i.e., contacts) based on synchronous movement. Contact rate was strongly associated with home range overlap, but exhibited substantial variation, especially at moderate levels of home range overlap. We found that female–female dyads had higher contact rates and longer duration phases of social association compared to female–male and male–male dyads. We found male–male dyads tended to experience social associations farther from their home range centers than female–female or female–male dyads. Social associations between wild pig dyads are highly dynamic in their spatial and temporal structure. Further, dyads with strong social associations still experience substantial time apart. Our findings highlight the challenges of predicting spatial and social associations in wild pig social pairs due to their dynamic social structure over space and time.

McIlraith, Jack R.↗
DOE OSTI2021

Cineradiography System and Initial 3D-printed Brain Phantoms

Traumatic brain injury (TBI) is a significant cause of death in tactical, sport and civilian populations. According to the Center for Disease Control (CDC) report in 2016, TBI accounted for 227,000 hospitalizations and 60,000 related deaths. In the military, the prevalence of traumatic brain injuries is related to the type of conflict U.S. forces are involved in and are typically classified as mild traumatic brain injuries (mTBIs). Troops returning from Operation Enduring Freedom and Operation Iraqi Freedom had a TBI rate estimated at 15.2% to 22.8%; nearly 320,000 troops. These mTBIs were primarily blast-induced and often lacked any accompanying symptoms. Left untreated, these mild injuries have been linked to chronic disorders and cognitive alterations. One such disorder that has been frequently recorded in literature is chronic traumatic encephalopathy (CTE). CTE is a progressive neurodegenerative tauopathy resulting from repetitive mTBIs. The repetitive head injuries involved in sport, classified as mTBIs, has resulted in CTE development in athletes involved in contact sports. While the association between mTBIs and CTE has been pathologically verified, the mechanisms have yet to be identified. In order to better understand these mechanisms, the use of flash x-ray radiography is being considered.

42 ENGINEERING↗
NASA NTRS1990

Beryllium in the Galactic halo - Surface abundances from standard, diffusive, and rotational stellar evolution, and implications

The recently observed upper limits to the beryllium abundances in population II stars are much lower than population I detections. This difference reflects an intrinsic difference in the initial abundances and is not caused by different degrees of depletion driven by stellar evolution processes from similar initial abundances. Evolutionary sequences of models from the early premain sequence to beyond the turnoff that correspond to halo dwarfs with Fe/H abundances of -1.3, -2.3, and -3.3 are constructed, and standard, diffusive, and rotational mechanisms are used to estimate a maximal possible beryllium depletion. Halo star models in the T(eff) range 6000 to 5000 K might be rotationally depleted by a factor of 1.5-2, and the total depletion should be no more than (conservatively) a factor of 3. Implications for cosmology, cosmic-ray theory, and Galactic chemical evolution are discussed.

Deliyannis, Constantine P.↗
NASA NTRS1993

Near-IR imaging of moderate redshift galaxy clusters

We have obtained near-IR imaging of 3 moderate-z clusters on the 1.3 m at KPNO with SQIID, a new camera offering wide-field (5.5 arcmin) simultaneous JHK band imaging. Our photometry on a sample of approximately 100 likely member galaxies in one of the clusters, Abell 370 at z = 0.37, shows that we can obtain magnitudes good to 20 percent down to K = 18, considerably below the estimated K* = 16.5 at this redshift. These data indicate that there are no systematic problems in obtaining photometry at faint levels with SQIID. With the development of larger arrays, the field is open to progress. The resulting J, H, and K data for three clusters are combined with previously obtained multiband optical photometry. We present an investigation of the spectral properties and evolution of the dominant cold stellar populations by comparing optical-to-IR colors and color-magnitude diagrams to predictions from population synthesis models and galaxy spectral evolution codes.

Stanford, S. A.↗
DOE OSTI2025

Deep-learning-based canopy height model generation from sub-meter resolution panchromatic satellite imagery

Canopy height models (CHMs) with sufficient resolution to distinguish individual trees are useful for a variety of applications. However, standard techniques to acquire such data, such as airborne lidar surveying, are often prohibitively expensive. Deep learning techniques for generating CHMs from high-resolution imagery are an attractive option to reduce costs. To date, success with these methods has been demonstrated using multichannel aerial photography and specialized satellite data products derived from multiple sensors, neither of which is commonly available at temporal resolutions finer than one year. Here we demonstrate a method to generate sub-meter resolution CHMs in three forests in California using a more abundant data source: sub-meter resolution, panchromatic satellite imagery from a single sensor. We show that phenology and species composition play important roles in model transferability; when trained using imagery from a single conifer forest in autumn, the model performs well on autumn imagery from a second conifer forest several hundred kilometers distant with no re-training. With modest additions to the training dataset, the same model generates minimally biased estimates of canopy height in both conifer and deciduous forests during multiple seasons. Because the model operates on satellite data with global coverage and a relatively short return interval, we propose its suitability to extrapolate tree-level canopy height data to remote regions and conduct high-temporal resolution monitoring of forest structure. We furthermore demonstrate the workflow’s applicability to fire modeling by conducting simulations in forests populated by trees measured using both this approach and airborne lidar surveying. We find minimal differences in fire behavior relative to a baseline case in which only statistical distributions of tree height and crown area are known. This result underscores the value of forest structural information derived from our workflow for improving the fidelity of wildland fire simulations, among other ecological applications.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

Detecting bimodality in astronomical datasets

We discuss statistical techniques for detecting and quantifying bimodality in astronomical datasets. We concentrate on the KMM algorithm, which estimates the statistical significance of bimodality in such datasets and objectively partitions data into subpopulations. By simulating bimodal distributions with a range of properties we investigate the sensitivity of KMM to datasets with varying characteristics. Our results facilitate the planning of optimal observing strategies for systems where bimodality is suspected. Mixture-modeling algorithms similar to the KMM algorithm have been used in previous studies to partition the stellar population of the Milky Way into subsystems. We illustrate the broad applicability of KMM by analyzing published data on globular cluster metallicity distributions, velocity distributions of galaxies in clusters, and burst durations of gamma-ray sources. FORTRAN code for the KMM algorithm and directions for its use are available from the authors upon request.

Ashman, Keith A.↗
NASA NTRS2003

Marine ecosystem appropriation in the Indo-Pacific: a case study of the live reef fish food trade

Our ecological footprint analyses of coral reef fish fisheries and, in particular, the live reef fish food trade (FT), indicate many countries' current consumption exceeds estimated sustainable per capita global, regional and local coral reef production levels. Hong Kong appropriates 25% of SE Asia's annual reef fish production of 135 260-286 560 tonnes (t) through its FT demand, exceeding regional biocapacity by 8.3 times; reef fish fisheries demand out-paces sustainable production in the Indo-Pacific and SE Asia by 2.5 and 6 times. In contrast, most Pacific islands live within their own reef fisheries means with local demand at < 20% of total capacity in Oceania. The FT annually requisitions up to 40% of SE Asia's estimated reef fish and virtually all of its estimated grouper yields. Our results underscore the unsustainable nature of the FT and the urgent need for regional management and conservation of coral reef fisheries in the Indo-Pacific.

Fishes↗
NASA NTRS2020

A Quantitative Hydroclimatic Context for the European Great Famine of 1315–1317

The European Great Famine of 1315–1317 triggered one of the worst population collapses in European history and ranks as the single worst European famine in mortality as a proportion of population. Historical records point to torrential rainfall, land saturation, crop failure, and prolonged flooding as important causes of the famine. Here we use the tree-ring based Old World Drought Atlas (OWDA) to show that the average of each growing season preceding the Great Famine years (1314–1316) was the fifth wettest over Europe from 1300 to 2012 C.E. The spatial and temporal characteristics of our OWDA-estimated anomalies are in excellent agreement with available historical accounts. We also characterize a mode of European hydroclimate variability that is associated with the Great Famine, which we term the “Great Famine mode.” This mode emerges as the leading mode of European hydroclimate variability from 1300–2012 and is strongly associated with extreme wet and dry events in Europe over the last millennium.

Environmental impact↗
NASA NTRSDate not supplied

Analysis of Darkened Fragments Resulting from Laboratory Hypervelocity Experiments

NASA’s Orbital Debris Program Office (ODPO) relies on measurements from optical, radar, and in situ measurements to facilitate the development of data-driven orbital debris environmental engineering models such as the NASA Orbital Debris Engineering Model (ORDEM). For optical measurements, the ODPO relies on ground-based optical telescopes to statistically assess objects in geosynchronous orbit and, in the future, low Earth orbit (LEO). The data collected include the detected object’s orbital parameters, time of observation, and optical magnitude. The latter parameter can be converted to a size using NASA’s optical Size Estimation Model (oSEM). It is well known that the observed magnitude of orbital debris can vary based on an object's material constituents, observational geometry, and the effects of space weathering. To assess these magnitude variations, the ODPO uses the Optical Measurement Center (OMC) at NASA Johnson Space Center to characterize a variety of materials and fragments from laboratory impact tests representative of fragments that constitute the orbital debris population. One experiment was DebriSat: a 56 kg spacecraft was built to incorporate structural elements of a modern LEO spacecraft and was subjected to a hypervelocity impact test at the U.S. Air Force’s Arnold Engineering Development Complex using test parameters that may be encountered in LEO. The DebriSat project has provided an abundance of information for assessing fragmentation debris in terms of material, color, shape, size, density, mass, and other derived parameters. Prior to the impact test, the ODPO collected spectral measurements on a subset of the materials used to construct DebriSat for a “ground-truth” of their optical properties. After the successful hypervelocity impact test, the DebriSat team observed a fine, dark dust coating all the fragments. Prior research has suggested that this came from ablated material deposited on the fragments during the impact test, causing a change in the reflective properties [1]. Given that this lower reflectivity on the DebriSat fragments will influence the laboratory-acquired magnitudes used to calculate size and inform potential updates to the oSEM, it is critical to assess if this darkening effect on the DebriSat fragments is a laboratory bias or something that could occur in on-orbit breakup events. This paper will provide a brief overview of the OMC and DebriSat experiment, focused on the optical characterization of a subset of materials using broadband photometric measurements and spectroscopic measurements. In addition, elemental analysis of various DebriSat fragments and the soft-catch foam used in the hypervelocity experiment compared with pristine foam will be examined to further evaluate the source of the dark material coating all fragments. Finally, the authors will present a twofold plan 1) for assessing potential biases in laboratory impact experiments that could affect laboratory optical characterization and 2) for mitigating biases when compared with ground-based optical telescopic measurements of the orbital debris environment.

Heather Cowardin↗
NASA NTRSDate not supplied

Analysis of Darkened Fragments Resulting from Laboratory Hypervelocity Experiments

NASA’s Orbital Debris Program Office (ODPO) relies on measurements from optical, radar, and in situ measurements to facilitate the development of data-driven orbital debris environmental engineering models such as the NASA Orbital Debris Engineering Model (ORDEM). For optical measurements, the ODPO relies on ground-based optical telescopes to statistically assess objects in geosynchronous orbit and, in the future, low Earth orbit (LEO). The data collected include the detected object’s orbital parameters, time of observation, and optical magnitude. The latter parameter can be converted to a size using NASA’s optical Size Estimation Model (oSEM). It is well known that the observed magnitude of orbital debris can vary based on an object's material constituents, observational geometry, and the effects of space weathering. To assess these magnitude variations, the ODPO uses the Optical Measurement Center (OMC) at NASA Johnson Space Center to characterize a variety of materials and fragments from laboratory impact tests representative of fragments that constitute the orbital debris population. One experiment was DebriSat: a 56 kg spacecraft was built to incorporate structural elements of a modern LEO spacecraft and was subjected to a hypervelocity impact test at the U.S. Air Force’s Arnold Engineering Development Complex using test parameters that may be encountered in LEO. The DebriSat project has provided an abundance of information for assessing fragmentation debris in terms of material, color, shape, size, density, mass, and other derived parameters. Prior to the impact test, the ODPO collected spectral measurements on a subset of the materials used to construct DebriSat for a “ground-truth” of their optical properties. After the successful hypervelocity impact test, the DebriSat team observed a fine, dark dust coating all the fragments. Prior research has suggested that this came from ablated material deposited on the fragments during the impact test, causing a change in the reflective properties [1]. Given that this lower reflectivity on the DebriSat fragments will influence the laboratory-acquired magnitudes used to calculate size and inform potential updates to the oSEM, it is critical to assess if this darkening effect on the DebriSat fragments is a laboratory bias or something that could occur in on-orbit breakup events. This presentation will provide a brief overview of the OMC and DebriSat experiment, focused on the optical characterization of a subset of materials using broadband photometric measurements and spectroscopic measurements. In addition, elemental analysis of various DebriSat fragments and the soft-catch foam used in the hypervelocity experiment compared with pristine foam will be examined to further evaluate the source of the dark material coating all fragments. Finally, the authors will present a twofold plan 1) for assessing potential biases in laboratory impact experiments that could affect laboratory optical characterization and 2) for mitigating biases when compared with ground-based optical telescopic measurements of the orbital debris environment.

Heather Cowardin↗
NASA NTRSDate not supplied

Trajectory Engineering with Modular Patched Conics for Entry Systems and TPS (TEMPEST)

Brief Presenter Biography (35 word limit): Bohdan Wesely is an Aerospace Engineer in the Entry Systems and Technology Division at Ames. He has worked on a variety of projects for NASA including integrated TPS (thermal protection system) flight hardware deliveries and testing services for commercial partners. Introduction: TEMPEST is a new trajectory analysis framework that is designed to fill the gap between dedicated flight mechanics tools and aerothermal and TPS sizing tools. The project started as an SJSU master’s thesis and has since evolved into a general conceptual design tool capable of studying a wide variety of entry problems. Development is ongoing in the Entry Systems and Technology Division at NASA ARC. Why TEMPEST: Space missions involving entry into a planetary atmosphere involve a series of unique requirements across multiple disciplines. Whether it is traditional entry descent and landing (EDL), or aerocapture, the vehicle must navigate to its target landing location or orbit state, and the TPS must protect the payload during entry. The design process typically involves iterative handoffs between various flight mechanics, flow solver, and material response level tools. During the early conceptual phase, a wide variety of feasible trajectories are simulated in a Monte Carlo scenario which broadly satisfy the mission or landing requirements. Next, computational fluid dynamics (CFD), direct simulation Monte Carlo (DSMC), and other flow solver analyses are performed at various key trajectory points to generate an aero-database, heating and TPS design requirements also emerge at this stage. At this point, with updated aerodynamics from the various flow solvers, trajectories can be re-run, this in turn can change the required freestream conditions for the CFD tools, and as a project progresses, these analyses converge, and uncertainty is reduced. However, there is always a “hand-off” occurring between two inherently coupled phenomena. Analysis Description: One of the goals with TEMPEST is to use a variety of first principles estimation methods coupled with an atmosphere model to predict vehicle aerothermodynamics across the entire flight regime while propagating a 3 or 6 degree of freedom (DoF) trajectory. Aerodynamics methods include modified Newtonian, Maxwell and Cercignani- Lampis-Lord (CLL) for continuum, transitional, and free molecular flow regimes. Aerothermodynamics include boundary layer and reference enthalpy methods, and Mutation++ for non-equilibrium chemistry modeling. TEMPEST is also capable of stitching multiple trajectory segments together to study mission scenarios like multi-pass aerocapture and aero-gravity assists. Most of the program is implemented in MATLAB using modern system objects, it relies on several C++ shared libraries for supporting tools like Gmsh, the Global Reference Atmospheric Model (GRAM), and Mutation++. The various first principles aerothermal estimation methods are discretized across either a structured axisymmetric panel mesh or an unstructured tri-mesh generated from an open-source tool such as Gmsh, this allows solutions on the same mesh to be compared across tools such as CB-Aero. CFD Coupling. A physics-aware, gaussian process CFD anchoring scheme is proposed to adjust the various first principles methods as a CFD database is populated. One goal for this anchoring module is to inform the project where CFD should be run. Full knowledge of the entire trajectory, atmosphere, and aerothermodynamics allows for easier identification of high sensitivity areas and uncertainty quantification. While the first principles effects are well known and proven accurate in existing tools such as CB- Aero and Cart3D, a physics aware CFD anchoring scheme increases tool credibility across a project lifecycle. Material Response Modeling. Correct TPS sizing is critical for optimizing mass for science payloads and ensuring mission success. The process typically involves a thermal analysis along the trajectory with surface heating environments as a boundary condition. Several design constraints are maximum bondline temperature and maximum recession with various margining techniques. The material response tool FIAT, developed out of NASA Ames, is currently being integrated into the TEMPEST environment. TPS recession, shape change, mass loss, and mass property alteration are all factors that can perturb an entry trajectory. For missions like Mars 2020, recession was minimal and was safely handled separately as a post process. For missions such as Jupiter Galileo with a high TPS mass fraction or asteroid entries, recession plays a major role. The proposed fully coupled scheme is to use an epoch-based approach where the trajectory integration is halted after a recession threshold, the energy balance and FIAT are solved at each panel, the mesh, aerodynamics, and mass properties are updated, and the trajectory continues. Several computational tradeoffs have been made during the development of TEMPEST to limit the cost of a single trajectory and preserve its utility as a conceptual, rapid iteration tool. Conclusion: Development of TEMPEST is ongoing and the project is still in its infancy. This talk aims to showcase its unique capabilities to support future NASA entry systems missions.

Bohdan O Wesely↗
DOE OSTI2021

Using a Customized Portable Deepwater Portable Electrofisher to Assess Larval Lamprey Populations in Irrigation Canals

Larval lamprey densities were quantified at two large-scale water diversions facilities located on the Yakima River near the city of Yakima, Washington. Water diversions are very common in the Yakima River Basin and provide water to irrigate a diverse range of valuable cropland. Out-migrating larval Pacific Lamprey are vulnerable to entrainment through fish protection screens during the withdrawal period and desiccation or predation during dewatering at the end of the season. In order to determine the impact to lamprey populations which inhabit these regions a portable deepwater electroshocking system was utilized to determine lamprey densities which could otherwise not be determined due to water depth. Surveys were conducted in the fall during the dewatering period in 2015 and 2017 and larval lamprey densities ranged from 0.8 to 8.8 fish m-2 at the Sunnyside Diversion Facility to 4.2 to 6.5 fish m-2 at the Wapato Diversion Facility. The estimates for the total lamprey numbers at each of the region using a portable deepwater electrofishing platform (PDEP) was very similar to those estimates using backpack electrofishing post-dewatering; the PDEP method was 12- 36% higher where comparisons were available. During 2017, the estimated lamprey entrainment at the Sunnyside Diversion increased by 484% from August to November. Lamprey lengths were also determined and ranged from 50 to 130 mm. Our results indicate that the use of the deepwater shocking system was very safe and effective at determining larval lamprey densities at hard to sample regions which are present near irrigation facilities.

larval lamprey, electrofishing, water diversion↗
DOE OSTI2021

Environmental life cycle impacts of small wastewater treatment plants: Design recommendations for impact mitigation

The objective of this study was to quantify potential mitigation of environmental impacts from the operation and construction of wastewater treatment plants (WWTP) from implementing specific design recommendations. The study investigated small WWTPs, many of which are serving slow growing or declining populations. Life Cycle Assessment methodology was used to evaluate and compare the inventory and environmental impacts of nine small WWTP case studies. Detailed inventory data was collected from the facilities’ engineering design plans and utility bills. One recommended practice was to avoid significant overdesign by planning for no lower than a 75% capacity utilization by the facilities’ end-of-life. A theoretical correction to a 75% capacity utilization was estimated to mitigate 0.4% of lifetime electricity usage and 1% of secondary process concrete for every 1% reduction in design average flow rate. Relatedly, a 0.4% mitigation in the Carcinogenic and Global Warming impacts could be achieved for every 1% reduction in design average flow toward a 75% capacity utilization. Other suggested practices were focused on conveyance, namely, to minimize non-process facility area and to use polyvinyl chloride pipe instead of ductile iron pipe where possible. Furthermore, the latter practice was estimated to mitigate between 1.1 and 4.8% of the Carcinogenic impact in the nine case studies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Pisces VII: discovery of a possible satellite of Messier 33 in the DESI legacy imaging surveys

ABSTRACT We report deep imaging observations with DOLoRes@TNG of an ultra-faint dwarf satellite candidate of the Triangulum galaxy (M33) found by visual inspection of the public imaging data release of the DESI Legacy Imaging Surveys. Pisces VII/Triangulum (Tri) III is found at a projected distance of $72\, {\rm kpc}$ from M33, and using the tip of the red giant branch method, we estimate a distance of $D=1.0^{+0.3}_{-0.2}\, {\rm Mpc}$, meaning the galaxy could either be an isolated ultra-faint or the second known satellite of M33. We estimate an absolute magnitude of MV = −6.1 ± 0.2 if Pisces VII/Tri II is at the distance of M33, or as bright as MV = −6.8 ± 0.2 if the galaxy is isolated. At the isolated distance, it has a physical half-light radius of $r_{\rm h}=131\pm 61\, {\rm pc}$ consistent with similarly faint galaxies around the Milky Way. As the tip of the red giant branch is sparsely populated, constraining a precision distance is not possible, but if Pisces VII/Tri III can be confirmed as a true satellite of M33, it is a significant finding. With only one potential satellite detected around M33 previously (Andromeda XXII/Tri I), it lacks a significant satellite population in stark contrast to the similarly massive Large Magellanic Cloud. The detection of more satellites in the outskirts of M33 could help to better illuminate if this discrepancy between expectation and observations is due to a poor understanding of the galaxy formation process, or if it is due to the low luminosity and surface brightness of the M33 satellite population which has thus far fallen below the detection limits of previous surveys. If it is truly isolated, it would be the faintest known field dwarf detected to date.

Martínez-Delgado, David↗
DOE OSTI2025

The decay of HIV under anti-retroviral therapy is biphasic even in humanized mice with just T cells

HIV-1 plasma viral load decays in a biphasic manner during antiretroviral therapy (ART). It was hypothesized that this is due to infection of different cell types, namely CD4+ T cells and macrophages. We studied this possibility directly by modeling the decay of HIV-1 in humanized mice. We utilized previously published data from humanized T-cell only mice (TOM) and myeloid-only mice (MOM) infected with HIV-1 and treated with a potent ART regimen. Viral load decay dynamics were modeled using either a single or a biexponential decay fitted using nonlinear mixed effects techniques. Fits were compared using the corrected Bayesian information criterion (BICc). In TOM, the biphasic model was significantly better than a single-phase decay model (ΔBICc ≈ 16) despite additional parameters. In MOM, the biphasic decay was statistically better, but there was substantial uncertainty because the virus goes below detection very fast. The first-phase half-life was consistent between groups (1.2 days in MOM and 1.3 days in TOM) and similar to the half-life estimated in human infection. The second-phase decay in these mice was minimal likely due to low initial viral loads. Additional analyses with mice containing both CD4+ T cells and macrophages or X4-tropic virus-infected MOM mice confirmed the biphasic pattern, demonstrating the robustness of this result. The biphasic decline in HIV-1 occurs, even with only CD4+ T cells, refuting the hypothesis that distinct cell populations (CD4+ T cells and macrophages) drive each decay phase. These findings support an alternative model in which the observed dynamics arise from intrinsic properties of the viral infection lifecycle rather than from cellular compartmentalization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Uncertainties in the effects of organic aerosol coatings on polycyclic aromatic hydrocarbon concentrations and their estimated health effects

We used the CAM5 model to examine how different particle-bound polycyclic aromatic hydrocarbon (PAH) degradation approaches affect the spatial distribution of benzo(a)pyrene (BaP). Three approaches were evaluated: NOA (no effect of OA coatings state on BaP), shielded (viscous OA coatings shield BaP from oxidation under cool and dry conditions) and ROI-T (viscous OA coatings slow BaP oxidation in response to temperature and humidity). Results show that BaP concentrations vary seasonally, influenced by emissions, deposition, transport and degradation approach, all of which are influenced by meteorological conditions. All simulations predict higher population-weighted global average (PWGA) fresh BaP concentrations during December–January–February (DJF) compared to June–July–August (JJA), due to increased emissions from household activities and reduced removal processes during colder months. The shielded and ROI-T approaches, which account for OA coatings, result in 2–6 times higher BaP concentrations in DJF compared to NOA. The shielded simulation predicts the highest PWGA fresh BaP concentration (1.3 ng m −3 ), with 90 % of BaP protected from oxidation. In contrast, the ROI-T approach forecasts lower concentrations in middle to low latitudes, as it assumes less effective OA coatings under warmer, more humid conditions. Evaluations against observed BaP concentrations show the shielded approach performs best, with a normalized mean bias (NMB) within ± 20 %. The combined incremental lifetime cancer risk (ILCR) for both fresh and oxidized PAHs is similar across simulations, emphasizing the importance of considering both forms in health risk assessments. This study highlights the critical role of accurate degradation approaches in PAH modeling.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
NASA NTRS1994

A Coupled-Cluster Study of XON (X=H, F, Cl), and the XON (left and right arrow) XNO Transition States

The XON molecules (X=H, F, and Cl) have been studied using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, CCSD(T), in conjunction with a double polarized triple-zeta basis set. The equilibrium geometries, dipole moments, harmonic vibrational frequencies and infrared intensities have been predicted. The X-O bond distance is shown to be abnormally long for X=F and Cl, and this is attributed to the degree of ionic bonding and the stability of NO(+). Based on Mulliken population analyses, it is shown that there is a significant degree of X(-), ON(+) ionic bonding character for FON and ClON, whereas for HON the ionic character is reduced and best described as H(+), NO(-). The stability of the XON molecule relative to the XNO isomer is shown to increase in the order HON<FON<ClON, although even ClON is 27.0 plus or minus 1.0 kcal/mol (0 K) less stable than ClNO. The XON (left and right arrow) XNO transition states are also investigated. FON and ClON possess the lowest barrier heights to isomerization (7.2 plus or minus 1.0 kcal/mol at 0 K), but these are sufficiently large to suggest that isomerization should not be rapid at low temperatures.

Lee, Timothy↗