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At least 433 records · Page 24

Order-disorder in room-temperature ionic liquids probed via methyl quantum tunneling

Room-temperature ionic liquids are promising candidates for applications ranging from electrolytes for energy storage devices to lubricants for food and cellulose processing to compounds for pharmaceutics, biotransformation, and biopreservation. Due to the ion complexity, many room-temperature ionic liquids readily form amorphous phases upon cooling, even at modest rates. Here, we investigate two commonly studied imidazolium-based room-temperature ionic liquids, 1-ethyl-3-methylimidazolium tetrafluoroborate and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, as well as their mixtures, to demonstrate how the complex interplay between the crystalline and amorphous phases is affected by the processing conditions, such as thermal history, liquid mixing, and applied pressure. We show that quantum tunneling in the cation methyl groups, measured by high-resolution inelastic neutron scattering, can be used to probe the order-disorder in room-temperature ionic liquids (crystalline vs amorphous state) that develops as a result of variable processing conditions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The mass distribution of quasars in optical time-domain surveys

The determination of supermassive black hole (SMBH) masses is the key to understanding the host galaxy build-up and the SMBH mass assembly histories. The SMBH masses of non-local quasars are frequently estimated via the single-epoch virial black-hole mass estimators, which may suffer from significant biases. Here we demonstrate a new approach to infer the mass distribution of SMBHs in quasars by modelling quasar ultraviolet /optical variability. Here, our inferred black hole masses are systematically smaller than the virial ones by 0.3–0.6 dex; the ∼0.3 dex offsets are roughly consistent with the expected biases of the virial black-hole mass estimators. In the upcoming time-domain astronomy era, our methodology can be used to constrain the cosmic evolution of quasar mass distributions.

79 ASTRONOMY AND ASTROPHYSICS↗

Lessons Learned from Ecosystem-Scale Experimental Field Studies (Workshop Report)

Efforts to understand and predict ecosystem responses to environmental change require long-term, large-scale, spatially representative experiments and observations that capture natural variability, test predictive models, and generate transferable knowledge. Such studies are indispensable for unraveling the complexities of terrestrial ecosystems and their responses to disturbances and evolving environmental conditions, while generating the data necessary for developing mechanistic models and predictive tools that inform decision-making processes. Having a rich history of designing and executing large-scale ecosystem experiments, the U.S. Department of Energy’s Environmental System Science program convened a workshop in January 2025 that brought together leaders in the field to distill critical lessons from decades of experience in large-scale experiments. The workshop aimed to (1) provide an ecosystem experiment primer for best practices, thus ensuring a high scientific return on investment for funding agencies, and (2) offer a robust framework for the design and management of future research initiatives. This report synthesizes insights and experiences from workshop participants and is structured to capture the entire research life cycle, from goal setting and design to operations, adaptive management, team dynamics, collaborations, and the often overlooked aspect of decommissioning. By synthesizing decision-making and lessons learned across diverse research approaches, the report aims to provide a template of essential factors to consider when designing successful long-term, large-scale ecosystem experiments.

54 ENVIRONMENTAL SCIENCES↗

User's manual for the ALS base heating prediction code, volume 2

The Advanced Launch System (ALS) Base Heating Prediction Code is based on a generalization of first principles in the prediction of plume induced base convective heating and plume radiation. It should be considered to be an approximate method for evaluating trends as a function of configuration variables because the processes being modeled are too complex to allow an accurate generalization. The convective methodology is based upon generalizing trends from four nozzle configurations, so an extension to use the code with strap-on boosters, multiple nozzle sizes, and variations in the propellants and chamber pressure histories cannot be precisely treated. The plume radiation is more amenable to precise computer prediction, but simplified assumptions are required to model the various aspects of the candidate configurations. Perhaps the most difficult area to characterize is the variation of radiation with altitude. The theory in the radiation predictions is described in more detail. This report is intended to familiarize a user with the interface operation and options, to summarize the limitations and restrictions of the code, and to provide information to assist in installing the code.

Reardon, John E.↗

The Effect of Regional Climate Variability on Outbreak of Bartonellosis Epidemics in Peru

Bartonellosis is a vector-borne, highly fatal, emerging infectious disease, which has been known in the Peruvian Andes since the early 1600s and has continued to be a problem in many mountain valleys in Peru and other Andean South American countries. The causative bacterium, Bartonella bacilliformis (Bb), is believed to be transmitted to humans by bites of the sand fly Lutzomyia verrucarum. According to available medical records, the transmission of infection often occurs in river valleys of the Andes Mountains at an altitude between 800 and 3500 meters above sea level. It shows a seasonal pattern, which usually begins to rise in December, peaks in February and March, and is at its lowest from July until November. The epidemics of bartonellosis also vary interannually, occurring every four to eight years, and appear to be associated with the El Nino cycle. In response to the National Oceanic and Atmospheric Administration (NOAA) announcement on climate variability and human health, which was constructed to stimulate integrated multidisciplinary research in the area of climate variability and health interactions, we have conducted a study to investigate the relationship between the El Nino induced regional climate variation and the outbreak of bartonellosis epidemics in Peru. Two test sites, Caraz and Cusco, were selected for this study. According to reports, Caraz has a long-standing history of endemic transmission and Cusco, which is located about five degrees poleward of Caraz, had no recorded epidemics until the most recent 1997/1998 El Nino event. The goal of this study is to clarify the relative importance of climatic risk factors for each area that could be predicted in advance, thus allowing implementation of cost-effective control measures, which would reduce disease morbidity and mortality.

Zhou, Jia-Yu↗

Agent-Based Model of Combined Community- and Jail-Based Take-Home Naloxone Distribution

Importance Opioid-related overdose accounts for almost 80 000 deaths annually across the US. People who use drugs leaving jails are at particularly high risk for opioid-related overdose and may benefit from take-home naloxone (THN) distribution. Objective To estimate the population impact of THN distribution at jail release to reverse opioid-related overdose among people with opioid use disorders. Design, Setting, and Participants This study developed the agent-based Justice-Community Circulation Model (JCCM) to model a synthetic population of individuals with and without a history of opioid use. Epidemiological data from 2014 to 2020 for Cook County, Illinois, were used to identify parameters pertinent to the synthetic population. Twenty-seven experimental scenarios were examined to capture diverse strategies of THN distribution and use. Sensitivity analysis was performed to identify critical mediating and moderating variables associated with population impact and a proxy metric for cost-effectiveness (ie, the direct costs of THN kits distributed per death averted). Data were analyzed between February 2022 and March 2024. Intervention Modeled interventions included 3 THN distribution channels: community facilities and practitioners; jail, at release; and social network or peers of persons released from jail. Main Outcomes and Measures The primary outcome was the percentage of opioid-related overdose deaths averted with THN in the modeled population relative to a baseline scenario with no intervention. Results Take-home naloxone distribution at jail release had the highest median (IQR) percentage of averted deaths at 11.70% (6.57%-15.75%). The probability of bystander presence at an opioid overdose showed the greatest proportional contribution (27.15%) to the variance in deaths averted in persons released from jail. The estimated costs of distributed THN kits were less than $\$$15 000 per averted death in all 27 scenarios. Conclusions and Relevance This study found that THN distribution at jail release is an economical and feasible approach to substantially reducing opioid-related overdose mortality. Training and preparation of proficient and willing bystanders are central factors in reaching the full potential of this intervention.

Tatara, Eric [Argonne National Laboratory (ANL), A↗

An Application of ASP in Nuclear Engineering: Explaining the Three Mile Island Nuclear Accident Scenario

Abstract The paper describes an ongoing effort in developing a declarative system for supporting operators in the Nuclear Power Plant (NPP) control room. The focus is on two modules: diagnosis and explanation of events that happened in NPPs. We describe an Answer Set Programming (ASP) representation of an NPP, which consists of declarations of state variables, components, their connections, and rules encoding the plant behavior. We then show how the ASP program can be used to explain the series of events that occurred in the Three Mile Island, Unit 2 (TMI-2) NPP accident, the most severe accident in the USA nuclear power plant operating history. We also describe an explanation module aimed at addressing answers to questions such as “why an event occurs?” or “what should be done?” given the collected data.

Computer Science↗

Poorly Crystalline, Iron-Bearing Aluminosilicates and Their Importance on Mars

Martian rocks and sediments contain weathering products including evaporite salts and clay minerals that only form as a result of interaction between rocks and water [1-6]. These weathering products are key to studying the history of water on Mars because their type, abundance and location provide clues to past conditions on the surface of the planet, as well as to the possible location of present-day reservoirs of water. Weathering of terrestrial volcanic rocks similar to those on Mars produces nano-sized, variably hydrated aluminosilicate and iron oxide minerals [7-10] including allophane, imogolite, halloysite, hisingerite, and ferrihydrite. The nanoaluminosilicates can contain isomorphically substituted Fe, which affects their spectral and physical properties. Detection and quantification of such minerals in natural environments on earth is difficult due to their variable chemical composition and lack of long-range crystalline order [9, 11, 12]. Despite the difficulty in characterizing these materials, they are common on Earth, and data from orbital remote sensing and rover-based instruments suggest that they are also present on Mars [9, 10, 13-17]. Their accurate detection and quantification require a better understanding of how composition affects their spectral properties. We present here the results of XAFS spectroscopy; these results will be corroborated with planned Mossbauer and reflectance spectroscopy.

Baker, L. L.↗

Development of a Multivariable Parametric Cost Analysis for Space-Based Telescopes

Over the past 400 years, the telescope has proven to be a valuable tool in helping humankind understand the Universe around us. The images and data produced by telescopes have revolutionized planetary, solar, stellar, and galactic astronomy and have inspired a wide range of people, from the child who dreams about the images seen on NASA websites to the most highly trained scientist. Like all scientific endeavors, astronomical research must operate within the constraints imposed by budget limitations. Hence the importance of understanding cost: to find the balance between the dreams of scientists and the restrictions of the available budget. By logically analyzing the data we have collected for over thirty different telescopes from more than 200 different sources, statistical methods, such as plotting regressions and residuals, can be used to determine what drives the cost of telescopes to build and use a cost model for space-based telescopes. Previous cost models have focused their attention on ground-based telescopes due to limited data for space telescopes and the larger number and longer history of ground-based astronomy. Due to the increased availability of cost data from recent space-telescope construction, we have been able to produce and begin testing a comprehensive cost model for space telescopes, with guidance from the cost models for ground-based telescopes. By separating the variables that effect cost such as diameter, mass, wavelength, density, data rate, and number of instruments, we advance the goal to better understand the cost drivers of space telescopes.. The use of sophisticated mathematical techniques to improve the accuracy of cost models has the potential to help society make informed decisions about proposed scientific projects. An improved knowledge of cost will allow scientists to get the maximum value returned for the money given and create a harmony between the visions of scientists and the reality of a budget.

Dollinger, Courtnay↗

Output-Based Adaptive Meshing Applied to Space Launch System Booster Separation Analysis

This paper presents details of Computational Fluid Dynamic (CFD) simulations of the Space Launch System during solid-rocket booster separation using the Cart3D inviscid code with comparisons to Overflow viscous CFD results and a wind tunnel test performed at NASA Langley Research Center's Unitary PlanWind Tunnel. The Space Launch System (SLS) launch vehicle includes two solid-rocket boosters that burn out before the primary core stage and thus must be discarded during the ascent trajectory. The main challenges for creating an aerodynamic database for this separation event are the large number of basis variables (including orientation of the core, relative position and orientation of the boosters, and rocket thrust levels) and the complex flow caused by the booster separation motors. The solid-rocket boosters are modified from their form when used with the Space Shuttle Launch Vehicle, which has a rich flight history. However, the differences between the SLS core and the Space Shuttle External Tank result in the boosters separating with much narrower clearances, and so reducing aerodynamic uncertainty is necessary to clear the integrated system for flight. This paper discusses an approach that has been developed to analyze about 6000 wind tunnel simulations and 5000 flight vehicle simulations using Cart3D in adaptive-meshing mode. In addition, a discussion is presented of Overflow viscous CFD runs used for uncertainty quantification. Finally, the article presents lessons learned and improvements that will be implemented in future separation databases.

Booster↗

Employing Relaxed Smoothness Constraints on Imaginary Part of Refractive Index in AERONET Aerosol Retrieval Algorithm

In the Aerosol Robotic Network (AERONET) retrieval algorithm, smoothness constraints on the imaginary part of the refractive index provide control of retrieved spectral dependence of aerosol absorption by preventing the inversion code from fitting the noise in optical measurements and thus avoiding unrealistic oscillations of retrievals with wavelength. The history of implementation of the smoothness constraints in the AERONET retrieval algorithm is discussed. It is shown that the latest version of the smoothness constraints on the imaginary part of refractive index, termed standard and employed by Version 3 of the retrieval algorithm, should be modified to account for strong variability of light absorption by brown-carbon-containing aerosols in UV through mid-visible parts of the solar spectrum. In Version 3 strong spectral constraints were imposed at high values of the Ångström exponent (440–870 nm) since black carbon was assumed to be the primary absorber, while the constraints became increasingly relaxed as aerosol exponent deceased to allow for wavelength dependence of absorption for dust aerosols. The new version of the smoothness constraints on the imaginary part of the refractive index assigns different weights to different pairs of wavelengths, which are the same for all values of the Ångström exponent. For example, in the case of four-wavelength input, the weights assigned to short-wavelength pairs (440–675, 675–870 nm) are small so that smoothness constraints do not suppress natural spectral variability of the imaginary part of the refractive index. At longer wavelengths (870–1020 nm), however, the weight is 10 times higher to provide additional constraints on the imaginary part of refractive index retrievals of aerosols with a high Ångström exponent due to low sensitivity to aerosol absorption for longer channels at relatively low aerosol optical depths. The effect of applying the new version of smoothness constraints, termed relaxed, on retrievals of single-scattering albedo is analyzed for case studies of different aerosol types: black- and brown-carbon-containing fine mode aerosols, mineral dust coarse mode aerosols, and urban industrial fine mode aerosol. It is shown that for brown-carbon-containing aerosols employing the relaxed smoothness constraints resulted in significant reduction in retrieved single-scattering albedo and spectral residual errors (compared to standard) at the short wavelengths. For example, biomass burning smoke cases showed a reduction in single-scattering albedo and spectral residual error at 380 nm of ∼ 0.033 and ∼ 17 %, respectively, for the Rexburg site and ∼ 0.04 and ∼ 12.7 % for the Rimrock site, both AERONET sites in Idaho, USA. For a site with very high levels of black-carbon-containing aerosols (Mongu, Zambia), the effect of modification in the smoothness constraints was minor. For mineral dust aerosols at small Ångström exponent values (Mezaira site, UAE), the spectral constraint on the imaginary part of the refractive index was already relaxed in Version 3; therefore the new relaxed constraint results in minimal change. In the case of weakly absorbing urban industrial aerosols at the GSFC site, there are significant changes in retrieved single-scattering albedo using relaxed assumption, especially reductions at longer wavelengths: ∼ 0.016 and ∼ 0.02 at 875 and 1020 nm, respectively, for 440 nm aerosol optical depth (AOD) ∼ 0.3. The modification of smoothness constraints on the imaginary part of the refractive index has a minor effect on retrievals of other aerosol parameters such as the real part of the refractive index and parameters of the aerosol size distribution. The implementation of the relaxed smoothness constraints on the imaginary part of the refractive index in the next version of the AERONET inversion algorithm will produce significant impacts at some sites in short wavelength channels (380 and 440 nm) for some biomass burning smoke cases with significant brown carbon content and possibly in mid-visible channels (500 and 675 nm) to near-infrared channels (870 to 1020 nm) for some urban industrial aerosol types. However, most differences in single-scattering albedo retrievals between those applying the new relaxed constraint and the standard constraint will be within the uncertainty of the single-scattering albedo retrievals, depending on the level of aerosol optical depth, Ångström exponent, brown carbon content and wavelength.

Aliaksandr Siniuk↗

Unravelling Complex Geologic Histories Using U–Pb and Trace Element Systematics of Titanite

Unravelling the spatio-temporal evolution of orogenic terranes requires a comprehensive understanding of the duration and extent of metamorphic events and hydrothermal alteration. Commonly used minerals such as zircon and monazite may not fully record geological histories in complex tectonic settings because their elemental constituents do not react under many metamorphic and metasomatic conditions. Here, we complement the current geochronological record of the Capricorn Orogen, Western Australia, with titanite U–Pb geochronology and geochemistry of felsic intrusive rocks to draw conclusions about the use of titanite in understanding the evolution of orogenic terranes. Because titanite usually incorporates common-Pb and may be variably reset by multiple metamorphic and hydrothermal events, a workflow is provided here for the systematic and robust interpretation of titanite U-Pb data. The addition of trace element data in titanite is particularly effective for differentiating whether a grain is igneous, recrystallized or metamorphic. We have developed several petrogenetic indices to differentiate these three types of titanite using Zr-in-titanite temperature, Th/U, Th/Pb, Al/(Al + Fe), light to heavy rare earth element ratio, and Eu anomalies. The addition of trace element geochemistry can also highlight anomalously radiogenic (sup 207)Pb/(sup 206)Pb reservoirs. Utilization of our workflow in the Capricorn Orogen reveals that titanite ages from the same samples as published zircon U–Pb data range from coeval to several hundreds of Myr of age difference between the two minerals. Titanite geochronology and trace element geochemistry indicates ~20 Myr of previously unrecognized prolonged cooling for the Capricorn Orogeny to ca. 1750 Ma. The spatial extent of the ca. 1210–1170 Ma part of the Mutherbukin Tectonic Event is also broadened significantly farther north and south than previously recognized. Incorporating titanite geochronology and trace geochemistry with more commonly used techniques (e.g., zircon and monazite petrochronology) extends our ability to resolve the complete history of large-scale orogenic terranes.

Hugo K. H. Olierook↗

Demographic composition, not demographic diversity, predicts biomass and turnover across temperate and tropical forests

The growth and survival of individual trees determine the physical structure of a forest with important consequences for forest function. However, given the diversity of tree species and forest biomes, quantifying the multitude of demographic strategies within and across forests and the way that they translate into forest structure and function remains a significant challenge. Here, we quantify the demographic rates of 1961 tree species from temperate and tropical forests and evaluate how demographic diversity (DD) and demographic composition (DC) differ across forests, and how these differences in demography relate to species richness, aboveground biomass (AGB), and carbon residence time. We find wide variation in DD and DC across forest plots, patterns that are not explained by species richness or climate variables alone. There is no evidence that DD has an effect on either AGB or carbon residence time. Rather, the DC of forests, specifically the relative abundance of large statured species, predicted both biomass and carbon residence time. Our results demonstrate the distinct DCs of globally distributed forests, reflecting biogeography, recent history, and current plot conditions. Linking the DC of forests to resilience or vulnerability to climate change, will improve the precision and accuracy of predictions of future forest composition, structure, and function.

59 BASIC BIOLOGICAL SCIENCES↗

ANS hard X-ray experiment development program

The hard X-ray (HXX) experiment is one of three experiments included in the Dutch Astronomical Netherlands Satellite, which was launched into orbit on 30 August 1974. The overall objective of the HXX experiment is the detailed study of the emission from known X-ray sources over the energy range 1.5-30keV. The instrument is capable of the following measurements: (1) spectral content over the full energy range with an energy resolution of approximately 20% and time resolution down to 4 seconds; (2) source time variability down to 4 milliseconds; (3) silicon emission lines at 1.86 and 2.00keV; (4) source location to a limit of one arc minute in ecliptic latitude; and (5) spatial structure with angular resolution of the arc minutes. Scientific aspects of experiment, engineering design and implementation of the experiment, and program history are included.

Parsignault, D.↗

Laminar flow flight experiments - A review

A development history is presented for flight tests of flow-laminarizing technologies, from the wooden-structure wing glove used with the B-18 of about 1940 to the X-21 of 1963-1965 and the wing incidence-varying tests conducted with gloved-wing F-111 and F-14 variable-sweep aircraft in more recent years. Natural laminar flight control testing has also been conducted with a B 757 airliner. Over the years, increasing attention has been given to the treatment of the leading edge of laminar flow wings in order to prevent flow instabilities that precipitate flow transition to turbulence farther aft.

Wagner, R. D.↗

Experimental Verification of a Progressive Damage Model for IM7/5260 Laminates Subjected to Tension-Tension Fatigue

The durability and damage tolerance of laminated composites are critical design considerations for airframe composite structures. Therefore, the ability to model damage initiation and growth and predict the life of laminated composites is necessary to achieve structurally efficient and economical designs. The purpose of this research is to experimentally verify the application of a continuum damage model to predict progressive damage development in a toughened material system. Damage due to monotonic and tension-tension fatigue was documented for IM7/5260 graphite/bismaleimide laminates. Crack density and delamination surface area were used to calculate matrix cracking and delamination internal state variables to predict stiffness loss in unnotched laminates. A damage dependent finite element code predicted the stiffness loss for notched laminates with good agreement to experimental data. It was concluded that the continuum damage model can adequately predict matrix damage progression in notched and unnotched laminates as a function of loading history and laminate stacking sequence.

Coats, Timothy W.↗

Microscale Distribution of Hydrogen Isotopes in Two Carbonaceous Chondrites

Hydrogen isotopes are highly variable among primitive meteorites and interplanetary dust particles (IDPs) [1, 2]. In particular, many primitive objects exhibit D (and N-15) enrichments, relative to terrestrial values, thought to represent partial preservation of presolar material fractionated in molecular clouds. However, the diversity of D/H ratios among IDPs and chondrites indicates a complex history of processing in the solar nebula and on meteorite parent bodies. Deconvolving this record requires identification and characterization of the carriers of D enrichments in different objects. Isotopic imaging has proven to be a powerful method to quantitatively explore the distribution of D/H ratios on a one to several m scale in IDPs [2-4] and the CR chondrite Renazzo [5, 6]. In this study, we have used ion imaging to explore the microscale D/H distribution of two carbonaceous chondrites, Tagish Lake (unique) and Al Rais (CR2). Previous D/H measurements (on a ~tens of microns scale) of Tagish Lake matrix fragments by Messenger [7] and Engrand et al. [8] have found different results, most likely related to the analytical techniques used. Previous work has also shown a large range of D/H ratios in CR chondrites, including very large variations on a scale of a few microns [5, 6, 9].

Young, A. F.↗

A Mercury Lander Mission Concept Study for the Next Decadal Survey

Mariner 10 provided our first closeup reconnaissance of Mercury during its three flybys in 1974 and 1975. MESSENGER’s 2011–2015 orbital investigation enabled numerous discoveries, several of which led to substantial or complete changes in our fundamental understanding of the planet. Among these were the unanticipated, widespread presence of volatile elements (e.g., Na, K, S); a surface with extremely low Fe abundance whose darkening agent is likely C; a previously unknown landform—hollows— that may form by volatile sublimation from within rocks exposed to the harsh conditions on the surface; a history of expansive effusive and explosive volcanism; substantial radial contraction of the planet from interior cooling; offset of the dipole moment of the internal magnetic field northward from the geographic equator by ~20% of the planet’s radius; crustal magnetization, attributed at least in part to an ancient field; unexpected seasonal variability and relationships among exospheric species and processes; and the presence in permanently shadowed polar terrain of water ice and other volatile materials, likely to include complex organic compounds. Mercury’s highly chemically reduced and unexpectedly volatile-rich composition is unique among the terrestrial planets and was not predicted by earlier hypotheses for the planet’s origin. As an end-member of terrestrial planet formation, Mercury holds unique clues about the original distribution of elements in the earliest stages of the Solar System and how planets (and exoplanets) form and evolve in close proximity to their host stars. The BepiColombo mission promises to expand our knowledge of this planet and to shed light on some of the mysteries revealed by the MESSENGER mission. However, several fundamental science questions raised by MESSENGER’s pioneering exploration of Mercury can only be answered with in situ measurements from the planet’s surface.

Ernst, C. M.↗