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NASA NTRS1983

QSO X-ray spectra and the contribution of QSOs to the X-ray background radiation

It has been suggested that QSOs make up a substantial fraction of the unresolved X-ray background (XRB) in the 0.5-3 keV energy band. The XRB is poorly known at these energies due to contamination by diffuse galactic emission. The XRB spectrum is precisely measured above 3 keV, and the aggregate spectrum of the proposed contributors should match its form. Seyfert galaxies are thought to contribute 20-30 percent (3-10 keV), and they have been shown to have power-law energy indices of roughly 0.7. The 1-15 keV average spectrum of a sample of optically bright QSOs and a 90 percent confidence range is found for a power law index of 0.83 for N(H) of less than 3 x 10 to the 20th atoms per sq cm. It is also found that QSOs with spectra most consistent with these measurements can contribute about 30 percent at most of the 3-10 keV XRB, or else the remaining contributors have intriguing spectra which rise with energy up to 10 keV and fall sharply thereafter. Alternativey, the X-ray spectral shape of QSOs is a function of redshift and/or radio luminosity.

Worrall, D. M.↗

NASA NTRS1975

Evolution of carbon isotopes, agglutinates, and the lunar regolith

Apollo 17 light-mantle soils and Apollo 15 Apennine Front soils are compared with respect to isotopic enrichment of C-13 and the maturity of the site. Analyses of soil-size fractions indicate that while the carbon concentration on particle surfaces remains relatively constant with increasing soil maturity, total surface-correlated carbon increases due to increasing total soil surface area. The role of agglutinates in the incorporation of surface-correlated carbon into aggregate grains is examined; agglutinates contain a major percentage of the carbon found in mature soil, and the volume-correlated carbon component in agglutinates apparently continues to increase after the surface-correlated carbon concentrations have reached a constant value. Constraints that may limit the carbon concentration in lunar soils to a value not greater than 300 micrograms/g are considered.

Desmarais, D. J.↗

NASA NTRS1993

A study of the threshold method utilizing raingage data

The threshold method for estimation of area-average rain rate relies on determination of the fractional area where rain rate exceeds a preset level of intensity. Previous studies have shown that the optimal threshold level depends on the climatological rain-rate distribution (RRD). It has also been noted, however, that the climatological RRD may be composed of an aggregate of distributions, one for each of several distinctly different synoptic conditions, each having its own optimal threshold. In this study, the impact of RRD variations on the threshold method is shown in an analysis of 1-min rainrate data from a network of tipping-bucket gauges in Darwin, Australia. Data are analyzed for two distinct regimes: the premonsoon environment, having isolated intense thunderstorms, and the active monsoon rains, having organized convective cell clusters that generate large areas of stratiform rain. It is found that a threshold of 10 mm/h results in the same threshold coefficient for both regimes, suggesting an alternative definition of optimal threshold as that which is least sensitive to distribution variations. The observed behavior of the threshold coefficient is well simulated by assumption of lognormal distributions with different scale parameters and same shape parameters.

Short, David A.↗

NASA NTRS2022

Snow Microphysical Retrieval from the NASA D3R Radar During ICE-POP 2018

A method is developed to use both polarimetric and dual-frequency radar measurements to retrieve microphysical properties of falling snow. It is applied to the Ku- and Ka-band measurements of the NASA dual-polarization, dual-frequency Doppler radar (D3R) obtained during the International Collaborative Experiments for PyeongChang 2018 Olympic and Paralympic winter games (ICE-POP 2018) field campaign and incorporates the Atmospheric Radiative Transfer Simulator (ARTS) microwave singles cattering property database for oriented particles. The retrieval uses optimal estimation to solve for several parameters that describe the particle size distribution (PSD), relative contribution of pristine, aggregate, and rimed ice species, and the orientation distribution along an entire radial simultaneously. Examination of Jacobian matrices and averaging kernels shows that the dual-wavelength ratio (DWR) measurements provide information regarding the characteristic particle size, and to a lesser extent, the rime fraction and shape parameter of the size distribution, whereas the polarimetric measurements provide information regarding the mass fraction of pristine particles and their characteristic size and orientation distribution. Thus, by combining the dual-frequency and polarimetric measurements, some ambiguities can be resolved that should allow a better determination of the PSD and bulk microphysical properties (e.g., snowfall rate) than can be retrieved from single-frequency polarimetric measurements or dual-frequency, single-polarization measurements. The D3R ICE-POP retrievals were validated using Precipitation Imaging Package (PIP) and Pluvio weighing gauge measurements taken nearby at the May Hills ground site. The PIP measures the snow PSD directly, and its measurements can be used to derived the snowfall rate (volumetric and water equivalent), mean volume-weighted particle size, and effective density, as well as particle aspect ratio and orientation. Four retrieval experiments were performed to evaluate the utility of different measurement combinations: Kuonly, DWR-only, Ku-pol, and All-obs. In terms of correlation, the volumetric snowfall rate (r D 0:95) and snow water equivalent rate (r D 0:92) were best retrieved by the Ku-pol method, while the DWR-only method had the lowest magnitude bias for these parameters (-31% and -8 %, respectively). The methods that incorporated DWR also had the best correlation to particle size (r D 0:74 and r D 0:71 for DWR-only and All-obs, respectively), although none of the methods retrieved density particularly well (r D 0:43 for Allobs). The ability of the measurements to retrieve mean aspect ratio was also inconclusive, although the polarimetric methods (Ku-pol and All-obs) had reduced biases and mean absolute error (MAE) relative to the Ku-only and DWR-only methods. The significant biases in particle size and snowfall rate appeared to be related to biases in the measured DWR, emphasizing the need for accurate DWR measurements and frequent calibration in future D3R deployments.

S Joseph Munchak↗

NASA NTRS2020

Volatile-rich Asteroids in the Inner Solar System

Bennu (101195), target of the Origins, Spectral Interpretation, Resource Identification, Security, Regolith Explorer (OSIRIS-REx) mission, is a type-B asteroid with abundant spectral evidence for hydrated silicates, low thermal inertia “boulders” and frequent bursts of particle emission. We suggest that Bennu’s parent body formed in the outer solar system before it was perturbed into the asteroid belt and then evolved into a near-Earth object. We show that this is consistent with models of planetesimal evolution. Bennu has many characteristics expected for a dormant comet, and could potentially contain a minimum of 1 wt.% adsorbed water if its gross mineralogy is consistent with the Orgueil meteorite. This is in addition to any ice or water contained within the hydrous minerals themselves. Based on this hypothesis, we predict the properties of the samples that will be returned to Earth by the OSIRIS-REx mission, including abundant phyllosilicate minerals, amorphous hydrated silicates and low-density, very high-porosity aggregates, already observed by the OSIRIS-REx instrument suite. We predict enrichments in D/H and 15N/14N, high C/Mg ratios (>∼7 wt%), and a greater range of organic compositions than found in meteorites, including an organic component poor in aromatics, and a more labile organic fraction. Ammonium salts, ranging from NH4Cl to ammonium–organic acid salts could carry much of the nitrogen in comets, yet only NH4CH3COO and heavier salts are sufficiently stable to be found in these returned samples. Water adsorbed onto highly porous grains should also be detected provided that the sample return capsule remains below 300 K during Earth return, and this water should be isotopically heavy.

Joseph A. Nuth, III↗

NASA NTRS1984

Interstellar dust, comets, comet dust and carbonaceous meteorites

Evidence is adduced to show that comets, and carbonaceous meteorites have a common origin via aggregation of interstellar dust. The dust to gas ratio for comets and the trend in its variation with solar distance is derived from the sequential evaporation of the various comet dust constituents. The 'missing carbon' in comets is explained as residing predominantly in the approximately 20 percent fraction of the comets consisting of the complex organic component of interstellar dust. The C-12/C-13 isotopic ratios in interstellar dust, comets and carbonaceous meteorites are linked by dividing the carbon into its 'pure' and molecular parts. The silicate signature in circumstellar, interstellar, comet and interplanetary dust is compared.

Greenberg, J. M.↗

NASA NTRS2005

Formation of Nanophase Iron in Lunar Soil Simulant for Use in ISRU Studies

For the prospective return of humans to the Moon and the extensive amount of premonitory studies necessary, large quantities of lunar soil simulants are required, for a myriad of purposes from construction/engineering purposes all the way to medical testing of its effects from ingestion by humans. And there is only a limited and precious quantity of lunar soil available on Earth (i.e., Apollo soils) - therefore, the immediate need for lunar soil simulants. Since the Apollo era, there have been several simulants; of these JSC-1 (Johnson Space Center) and MLS-1 (Minnesota Lunar Simulant) have been the most widely used. JSC-1 was produced from glassy volcanic tuff in order to approximate lunar soil geotechnical properties; whereas, MLS-1 approximates the chemistry of Apollo 11 high-Ti soil, 10084. Stocks of both simulants are depleted, but JSC-1 has recently gone back into production. The lunar soil simulant workshop, held at Marshall Space Flight Center in January 2005, identified the need to make new simulants for the special properties of lunar soil, such as nanophase iron (np-Fe(sup 0). Hill et al. (2005, this volume) showed the important role of microscale Fe(sup 0) in microwave processing of the lunar soil simulants JSC-1 and MLS-1. Lunar soil is formed by space weathering of lunar rocks (e.g., micrometeorite impact, cosmic particle bombardment). Glass generated during micrometeorite impact cements rock and mineral fragments together to form aggregates called agglutinates, and also produces vapor that is deposited and coats soil grains. Taylor et al. (2001) showed that the relative amount of impact glass in lunar soil increases with decreasing grain size and is the most abundant component in lunar dust (less than 20 micrometer fraction). Notably, the magnetic susceptibility of lunar soil also increases with the decreasing grain size, as a function of the amount of nanophase-sized Fe(sup 0) in impact-melt generated glass. Keller et al. (1997, 1999) also discovered the presence of abundant np-Fe(sup 0) particles in the glass patinas coating most soil particles. Therefore, the correlation of glass content and magnetic susceptibility can be explained by the presence of the np-Feo particles in glass: small particles contain relatively more np-Fe(sup 0) as glass coatings because the surface area versus mass ratio of the grain size is so increased. The magnetic properties of lunar soil are important in dust mitigation on the Moon (Taylor et al. 2005). Thus material simulating this property is important for testing mitigation methods using electromagnetic field. This np- Fe(sup 0) also produces a unique energy coupling to normal microwaves, such as present in kitchen microwave ovens. Effectively, a portion of lunar soil placed in a normal 2.45 GHz oven will melt at greater than 1200 C before your tea will boil at 100 C, a startling and new discovery reported by Taylor and Meek (2004, 2005). Several methods have been investigated in attempts to make nanophase-sized Feo dispersed within silicate glass; like in the lunar glass. We have been successful in synthesizing such a product and continue to improve on our recipe. We have performed extensive experimentation on this subject to date. Ultimately it will probably be necessary to add this np-Fe(sup 0) bearing silicate glass to lunar soil stimulant, like JSC-1, to actually produce the desired magnetic and microwave coupling properties for use in appropriate ISRU experimentation.

Liu, Yang↗

DOE OSTI2023

Droplet burning of n-butyl acetate/n-heptane mixtures in the standard atmosphere: experiments and numerical modeling

Blending petroleum fuels with oxygenates is a common approach to stem the depletion of crude oil while also mitigating the impact of their combustion on the environment. It has recently been considered that n-butyl acetate (BA, C6H12O2 , boiling point of 399K) could be a viable oxygenate additive to diesel fuel. In this application it is important to determine the influence of the fractional amount of BA on burning of the mixture. This presentation considers this problem from an experimental and computational approach using n-heptane (C7H14 , boiling point of 372K) as an essentially single component surrogate for diesel fuel. The burning configuration considered was ostensibly spherical symmetry as promoted by burning droplets under conditions where forced and natural convection effects were minimized. In this configuration the droplet and flame are concentric spheres and soot aggregates are trapped in a shell structure between the droplet and flame. Measurements were made of the droplet, flame and soot shell diameters through video imaging of the burning process. The experimental results were used to validate a detailed numerical model of the spherically symmetric droplet burning process that incorporated a consistent combustion kinetic mechanism for BA/heptane mixtures, comprised of 402 species and 16,872 reactions inclusive of soot chemistry. A model for soot formation was also included in the simulation to predict formation of the soot shell. The simulations agreed well with measured droplet and flame diameters. It was found both experimentally and computationally that adding BA to heptane had a minimal effect on the mixture burning rate, while the flame was positioned closer to the droplet surface and the simulated soot volume fraction decreased. The implications of these results are discussed for using BA as a potential additive to diesel fuel.

09 BIOMASS FUELS↗

NASA NTRS2019

Fine-Grained, Spinel-Rich Ca-Al-Rich Inclusions From The Reduced CV3 Chondrite Efremovka: A Genetic Link To Wark-Lovering Rims?

Fine-grained, spinel-rich Ca-Al-rich inclusions (FGIs) in carbonaceous chondrites, mostly CV3 chondrites, are interpreted as aggregates of nebular gas-solid condensates that escaped significant melting [1]. Multiple lines of evidence suggest a condensation origin for FGIs, including their layered structures and irregular shapes and the fine grain size of numerous spinel-cored nodules [e.g., 2,3], and the distinctive volatility-fractionated group II rare earth element patterns of bulk inclusions and their mineral constituents [e.g., 4,5]. The origin and nature of FGIs are poorly constrained because of their fine grain sizes and intimate intergrowths of refractory phases, combined with their susceptibility to secondary parent body alteration processes, making detailed mineralogical and petrologic characterizations difficult using scanning electron microscope (SEM) and electron microprobe techniques. In this study, we present preliminary transmission electron microscope (TEM) analyses of pristine FGIs from the reduced CV3 chondrite Efremovka in order to provide the detailed characterization of their micrometer- to nanometer-scale textures and chemical compositions. Our goals are to better understand the formation processes and conditions of FGIs in the early solar nebula and to explore their possible genetic relationship with other early-formed refractory inclusions and their rims.

Keller, L. P.↗

NASA NTRSDate not supplied

Menagerie: an Automated Approach to Launch Vehicle Design

The Advanced Concepts Office (ACO) at NASA Marshall Space Flight Center (MSFC)has been performing conceptual design of launch vehicles since the Space Transportation System Program. As part of its duties ACO has been tasked with investigating the effects of known and potential threats and opportunities to a myriad of launch vehicle concepts, launch sites, and mission profiles known as the launch space. As the launch space becomes more crowded and busy with launch providers and their vehicles, the legacy method of prescribing each design discipline to a single human Subject Matter Expert (SME) has become infeasible. Rapidly changing launch, economical, and political constraints require rapid evaluation of their effects. While moving into this future of rapid response does require streamlining of data and processes, it does not however lead directly to reinventing the wheel. Flight-validated analysis tools, procedures, and lessons learned can be effectively leveraged to bring the experience from decades of government and commercial flight programs to the new paradigm. In this publication we describe the aggregation of all previous launch vehicle design efforts of ACO into an automated and integrated toolchain called menagerie. The toolchain utilizes a suite of NASA, Air Force Research Lab (AFRL), and ACO-developed tools and processes to evaluate launch vehicle concepts, mission profiles, and trades in a fraction of the time previously required.

launch vehicle↗

DOE OSTI2024

HPC resources for CMS offline computing: An integration and scalability challenge for the Submission Infrastructure

The computing resource needs of LHC experiments are expected to continue growing significantly during the Run 3 and into the HL-LHC era. The landscape of available resources will also evolve, as High Performance Computing (HPC) and Cloud resources will provide a comparable, or even dominant, fraction of the total compute capacity. The future years present a challenge for the experiments’ resource provisioning models, both in terms of scalability and increasing complexity. The CMS Submission Infrastructure (SI) provisions computing resources for CMS workflows. This infrastructure is built on a set of federated HTCondor pools, currently aggregating 400k CPU cores distributed worldwide and supporting the simultaneous execution of over 200k computing tasks. Incorporating HPC resources into CMS computing represents firstly an integration challenge, as HPC centers are much more diverse compared to Grid sites. Secondly, evolving the present SI, dimensioned to harness the current CMS computing capacity, to reach the resource scales required for the HLLHC phase, while maintaining global flexibility and efficiency, will represent an additional challenge for the SI. To preventively address future potential scalability limits, the SI team regularly runs tests to explore the maximum reach of our infrastructure. In this note, the integration of HPC resources into CMS offline computing is summarized, the potential concerns for the SI derived from the increased scale of operations are described, and the most recent results of scalability test on the CMS SI are reported.

Pérez-Calero Yzquierdo, Antonio↗

NASA NTRS1988

Thermal properties of heterogeneous grains

Cometary dust is not spherical nor homogeneous, yet these are the assumptions used to model its thermal, optical, and dynamical properties. To better understand the effects of heterogeneity on the thermal and optical properties of dust grains, the effective dielectric constant for an admixture of magnetite and a silicate were calculated using two different effective medium theories: the Maxwell-Garnett theory and the Bruggeman theory. In concept, the MG theory describes the effective dielectric constant of a matrix material into which is embedded a large number of very small inclusions of a second material. The Bruggeman theory describes the dielectric constant of a well mixed aggregate of two or more types of materials. Both theories assume that the individual particles are much smaller than the wavelength of the incident radiation. The refractivity for a heterogeneous grain using the MG theory is very similar to the refractivity of the matrix material, even for large volume fractions of the inclusion. The equilibrium grain temperature for spherical particles sized from .001 to 100 microns in radius at 1 astronomical unit from the sun was calculated. Further explanation is given.

Lien, David J.↗

NASA NTRS2014

Computational and Experimental Investigation of Li-doped Ionic Liquid Electrolytes: [pyr14][tfsi], [pyr13][fsi], and [EMIM][BF4]

We employ molecular dynamics (MD) simulation and experiment to investigate the structure, thermodynamics, and transport of N-methyl-N-butylpyrrolidinium bis(trifluoromethylsufonyl)imide ([pyr14][TFSI]), N -methyl-N-propylpyrrolidinium bis(fluorosufonyl)imide ([pyr13][FSI]), and 1-ethyl-3-methylimidazolium boron tetrafluoride ([EMIM][BF4]), as a function of Li-salt mole fraction (0.05 xLi+ 0.33) and temperature (298 K T 393 K). Structurally, Li+ is shown to be solvated by three anion neigh- bors in [pyr14][TFSI] and four anion neighbors in both [pyr13][FSI] and [EMIM][BF4], and at all levels of xLi+ we find the presence of lithium aggregates. Pulsed field gradient spin-echo NMR measurements of diffusion and electrochemical impedance spectroscopy measurements of ionic conductivity are made for the neat ionic liquids as well as 0.5 molal solutions of Li-salt in the ionic liquids. Bulk ionic liquid properties (density, diffusion, viscosity, and ionic conductivity) are obtained with MD and show excellent agreement with experiment. While the diffusion exhibits a systematic decrease with increasing xLi+, the contribution of Li+ to ionic conductivity increases until reach- ing a saturation doping level of xLi+ 0.10. Comparatively, the Li+ conductivity of [pyr14][TFSI] is an order of magnitude lower than that of the other liquids, which range between 0.1-0.3 mScm. Our transport results also demonstrate the necessity of long MD simulation runs ( 200 ns) required to converge transport properties at room T. The differences in Li+ transport are reflected in the residence times of Li+ with the anions (Li), which are revealed to be much larger for [pyr14][TFSI] (up to 100 ns at the highest doping levels) than in either [EMIM][BF4] or [pyr13][FSI]. Finally, to comment on the relative kinetics of Li+ transport in each liquid, we find that while the net motion of Li+ with its solvation shell (vehicular) significantly contributes to net diffusion in all liquids, the importance of transport through anion exchange (hopping) increases at high xLi+ and in liquids with large anions.

electrolytes↗

NASA NTRS2018

Microphysical Properties of Tropical Tropopause Layer Cirrus

Pervasive cirrus clouds in the tropical tropopause layer (TTL) play an important role in determining the composition of stratospheric air through dehydration of tropospheric air entering the stratosphere. This dehydration affects Earth's energy budget and climate, yet uncertainties remain regarding the microphysical processes that govern TTL cirrus. TTL cirrus were sampled with the NASA Global Hawk UAV for over 30 hr in the Western Pacific in 2014 during the Airborne Tropical TRopopause EXperiment. In situ measurements by a Fast Cloud Droplet Probe and Hawkeye probe (combination Fast Cloud Droplet Probe, Two‐Dimensional Stereo optical array probe, and Cloud Particle Imager) provided particle concentrations and sizing between 1‐ and 1,280‐μm diameter and high resolution images for habit identification. We present the variability in ice concentrations, size distributions, and habits as functions of temperature, altitude, and time since convective influence. Observed ice particles were predominantly small and quasi‐spheroidal in shape, with the percentage of quasi‐spheroids increasing with decreasing temperature. In comparison to the large fraction of the population consisting of quasi‐spheroids, faceted habits (columns, plates, rosettes, and budding rosettes) constituted a smaller percentage of the overall population and exhibited the opposite correlation with temperature. The trend of higher percentages of faceted crystals occurring at warmer temperatures may be due to diffusional growth or aggregation as particles descend through cloud, and/or the more rapid diffusional growth rate at warmer temperatures. Sampling was typically well away from deep convection, however, and very few aggregates were observed, so the trend of higher percentages of faceted habits is likely attributable to diffusional growth.

Woods, Sarah↗

NASA NTRS2009

Toxicity of Lunar Dust in Lungs Assessed by Examining Biomarkers in Exposed Mice

NASA plans to build an outpost on the Moon for prolonged human habitation and research. The lunar surface is covered by a layer of soil, of which the finest portion is highly reactive dust. NASA has invited NIOSH to collaboratively investigate the toxicity of lunar dust. Dust samples of respirable sizes were aerodynamically isolated from two lunar soil samples of different maturities (cosmic exposure ages) collected during the Apollo 16 mission. The lunar dust samples, titanium dioxide, or quartz, suspended in normal saline or in Survanta (a bovine lung surfactant), were given to groups of 5 mice (C-57 male) by intrapharyngeal aspiration at 1, 0.3, or 0.1 mg/mouse. The mice were euthanized 7 or 30 days later, and their lungs were lavaged to assess the toxicity biomarkers in bronchioalveolar lavage fluids. The acellular fractions were assayed for total proteins, lactate dehydrogenase activities, and cytokines; the cellular portions were assessed for total cell counts and cell differentials. Results from the high-dose groups showed that lunar dust, suspended in saline, was more toxic than TiO 2, but less toxic than quartz. Lunar dust particles aggregate and settle out rapidly in water or saline, but not in Survanta. Lunar dust suspended in Survanta manifested greater toxicity than lunar dust in saline. The increase in toxicity presumably was due to that Survanta gave a better particle dispersion in the lungs. The two lunar dust samples showed similar toxicity. The overall results showed that lunar dust is more toxic than TiO 2 but less toxic than quartz.

Lam, C.-W.↗

DOE OSTI2026

Xanthos-Lake Dataset

The Xanthos-Lake v1.0 dataset provides the input data, trained machine-learning models, and simulation outputs needed to characterize lake water balance, snow and ice conditions, and mixing-layer temperature within the Xanthos global hydrological modeling framework. The dataset supports lake representation across a wide range of lake sizes and hydroclimatic conditions by combining xLSIM, a basin-specific machine-learning emulator of lake snow, ice, ice-cover fraction, and mixing-layer temperature, with the Xanthos-Lake water-balance model. The archive contains NetCDF datasets used to train and evaluate xLSIM, trained model weights, processed meteorological and lake-property inputs, and basin- and lake-category-specific simulation outputs. These materials are organized into four primary data groups, described below. Snowice_model_inputs: Contains the NetCDF input data used to train xLSIM. The xLSIM machine-learning framework uses three lake-based datasets. The meteorological forcing dataset provides monthly relative humidity, specific humidity, surface wind speed, maximum and minimum air temperature, downward longwave and shortwave radiation, snowfall, surface air pressure, and total precipitation. Lake surface area is included as an additional static predictor. The target-state dataset provides lake ice thickness, snow depth, snow cover, and lake mixing-layer temperature, while a companion lake-surface dataset provides the lake ice-cover fraction. Before training, ice thickness and snow depth are converted from meters to centimeters, mixing-layer temperature is converted from kelvin to degrees Celsius and constrained to nonnegative values, and ice-cover fraction is converted from a fraction to a percentage. The predictor variables are normalized using statistics calculated across the selected lakes and time steps. Snowice_model_outputs: Contains the NetCDF outputs generated by xLSIM. For each basin, xLSIM produces a file containing observed and predicted lake-state variables for the training, validation, and testing periods. The modeled variables include lake ice thickness, snow depth, snow cover, mixing-layer temperature, and lake ice-cover fraction. For basins without a sufficiently persistent snow-and-ice signal, the emulator predicts only mixing-layer temperature. The outputs also include training and validation loss histories, the selected model configuration, identifiers of the lakes used in training, and SHAP-based feature-importance information at the global, lake, and seasonal-regime levels. The trained machine-learning model weights are provided separately within the dataset archive. Together, these files support model evaluation and subsequent coupling with the Xanthos-Lake water-balance framework. XanthosLAKES: Contains the NetCDF input data used by the Xanthos-Lake framework. Monthly meteorological inputs include relative and specific humidity, downward shortwave and longwave radiation, mean, maximum, and minimum air temperature, wind speed, precipitation, snowfall, and surface air pressure. Static lake-property datasets provide lake identifiers, geographic locations, surface area, volume, mean depth, elevation, drainage area, fetch, outlet-routing information, and associated Xanthos grid-cell attributes. Separate bathymetric datasets provide the coefficients of the area–depth and volume–depth relationships for each aggregated lake unit. GLEV-based records provide observed lake surface area and evaporation data used to initialize lake states, define reference conditions, and calibrate and evaluate the model. Xanthos-Lake Outputs: Contains the basin- and lake-category-specific NetCDF outputs generated by Xanthos-Lake. Monthly variables include lake surface area, storage volume, outlet discharge, evaporation rate, evaporation volume, lake–groundwater exchange, lake inflow, ice thickness, snow depth, snow-cover fraction, ice-cover fraction, and mixing-layer temperature. The files also contain lake-specific calibration and validation statistics, including normalized root-mean-square error, mean absolute error, Nash–Sutcliffe efficiency, Kling–Gupta efficiency, and percent bias. Stored calibrated and derived parameters include the weir discharge coefficient, fractional freeboard, groundwater exchange coefficient, reference water level, corresponding reference surface area and storage volume, weir-width adjustment factor, and the fraction of routed inflow entering the lake. Basin identifiers, lake category, simulation period, calibration and validation periods, and parameter-schema information are retained as NetCDF metadata.

Abeshu, Guta [Pacific Northwest National Laborator↗

DOE OSTI2026

Mechanisms of Metal Additive-Induced Ordering During SNIPS Membrane Formation

Isoporous membranes can be fabricated by combining self-assembly with nonsolvent induced phase separation (SNIPS) using an amphiphilic block copolymer like polystyrene-b-poly(4-vinylpyridine) (SV). Poly(4-vinylpyridine) (V) is known to complex with metal salts, which are hypothesized to stabilize solution ordering and preserve structure during casting. We explored how the molar ratio of metal additive to the poly(4-vinylpyridine) block affected the final membrane morphology via scanning electron microscopy (SEM). Dynamic light scattering (DLS), small-angle X-ray scattering (SAXS), and in situ grazing-incidence SAXS were used to track changes in solution ordering and chain conformation as a function of the molar ratio of the additive to the V block. Additives induced aggregation, promoted the formation of more compact conformations in solution, and facilitated micelle ordering onto lattices at optimal ratios. Furthermore, these experimental results were supported by random phase approximation calculations, which helped explain how the thermodynamic order–disorder transition shifts with additive binding strength. Stronger additive–polymer interactions reduced the block copolymer volume fraction required for ordering in solution, allowing ordered domains to form at lower polymer concentrations.

Additives↗

DOE OSTI2023

Microstructural and Rheological Transitions in Bacterial Biofilms

Biofilms are aggregated bacterial communities structured within an extracellular matrix (ECM). ECM controls biofilm architecture and confers mechanical resistance against shear forces. From a physical perspective, biofilms can be described as colloidal gels, where bacterial cells are analogous to colloidal particles distributed in the polymeric ECM. However, the influence of the ECM in altering the cellular packing fraction (Φ) and the resulting viscoelastic behavior of biofilm remains unexplored. Using biofilms of Pantoea sp. (WT) and its mutant (ΔUDP), the correlation between biofilm structure and its viscoelastic response is investigated. Experiments show that the reduction of exopolysaccharide production in ΔUDP biofilms corresponds with a seven-fold increase in Φ, resulting in a colloidal glass-like structure. Consequently, the rheological signatures become altered, with the WT behaving like a weak gel, whilst the ΔUDP displayed a glass-like rheological signature. By co-culturing the two strains, biofilm Φ is modulated which allows us to explore the structural changes and capture a change in viscoelastic response from a weak to a strong gel, and to a colloidal glass-like state. The results reveal the role of exopolysaccharide in mediating a structural transition in biofilms and demonstrate a correlation between biofilm structure and viscoelastic response.

viscoelasticity↗