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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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12 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2022

29P/Schwassmann–Wachmann 1: A Rosetta Stone for Amorphous Water Ice and CO↔CO 2 Conversion in Centaurs and Comets?

Centaur 29P/Schwassmann–Wachmann 1 (SW1) is a highly active object orbiting in the transitional "Gateway" region between the Centaur and Jupiter-family comet (JFC) regions. SW1 is unique among the Centaurs in that it experiences quasi-regular major outbursts and produces CO emission continuously; however, the source of the CO is unclear. We argue that, due to its very large size (∼32 km radius), SW1 is likely still responding, via amorphous water ice (AWI) conversion to crystalline water ice (CWI), to the "sudden" change in its external thermal environment produced by its Myrs-long dynamical migration from the Kuiper Belt to its current location at the inner edge of the Centaur region. It is this conversion process that is the source of the abundant CO and dust released from the object during its quiescent and outburst phases. If correct, these arguments have a number of important predictions testable via remote sensing and in situ spacecraft characterization, including the quick release on Myr timescales of CO from AWI conversion for any few kilometer-scale scattered disk Kuiper Belt Objects transiting into the inner system; that to date SW1 has only converted between 50% and 65% of its nuclear AWI to CWI; that volume changes on AWI conversion could have caused subsidence and cave-ins, but not significant mass wasting or crater loss; that SW1's coma should contain abundant amounts of CWI+CO 2 "dust" particles; and that when SW1 transits into the inner system within the next 10,000 yr, it will be a very different kind of JFC.

Centaur 29P/Schwassmann–Wachmann 1(SW1)↗
DOE OSTI2026

Multi-resolution Arctic Shrub Cover Dataset Derived from UAS and Airborne SfM and LiDAR (2013-2025)

We synthesized 177 unoccupied aerial system flights and 77 airborne flights across the Arctic and created a multi-resolution benchmark data of low-to-tall shrub fractional cover leveraging Structure-from-Motion and Light Detection and Ranging. The resulting dataset covered a total of 1899 km2 across Alaska, Western Canada, Sweden, and Siberian Arctic, including key sites from the Oro Arctic to the High Arctic. The dataset is organized into 6 primary data collection directories (“Abisko,” “AWI,” “ERE,” “Fairbanks,” “NGEE,” “Toolik”), each containing site and flight subdirectories. Flight directories include shrub cover rasters (*.tifs) at 1 m, 5 m, and 30 m resolution, the canopy height model at 1 m resolution (*.tifs), and a bounding box *.kml file. For the AWI, Abisko, NGEE, and Fairbanks collections, we also include the GCC raster at 1 m resolution (*.tif). Files are organized by Collection > Site > Flight Name > Data Files. Flight rasters are in the local UTM zone and the .kml files are in the geographic coordinate system EPSG 4326. We also include a .csv file that details the source datasets for every flight. The Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) project is a research effort to reduce uncertainty in the Department of Energy’s Energy Exascale Earth System Model (E3SM) by developing a predictive understanding of Arctic tundra ecosystems underlain by permafrost and to quantify feedbacks from the Arctic tundra to the Earth system. NGEE Arctic is supported by the Department of Energy's Office of Biological and Environmental Research. Over Phases 1–3, observations made by the NGEE Arctic team across a gradient of permafrost landscapes in Arctic Alaska improved the representation of tundra processes in the land surface component of E3SM (the E3SM Land Model, ELM). Model improvements emphasized unique aspects of permafrost environments and explored reductions in model complexity while retaining predictive power. The Arctic-informed ELM developed by NGEE Arctic has been used to make novel predictions on processes ranging from permafrost thaw to soil biogeochemical cycling to Earth system feedbacks associated with the unique characteristics of tundra plants. In Phase 4, the NGEE Arctic team is evaluating our new predictive understanding under novel conditions across the Arctic domain. In collaboration with partners at long-term pan-Arctic research sites we are examining whether an Arctic-informed ELM can faithfully simulate interactions among surface and subsurface processes at site, regional, and pan-Arctic scales. In turn, we are using variety of tools to dynamically extend and evaluate ELM inference, with an emphasis on data synthesis and pan-Arctic model evaluation, reintegration of code with an evolving E3SM, scaling across heterogeneous Arctic landscapes, and the appropriate representation of the impacts of increasingly frequent Arctic disturbances.

canopy height model↗
DOE OSTI2023

Nudging allows direct evaluation of coupled climate models with in situ observations: a case study from the MOSAiC expedition

Comparing the output of general circulation models to observations is essential for assessing and improving the quality of models. While numerical weather prediction models are routinely assessed against a large array of observations, comparing climate models and observations usually requires long time series to build robust statistics. Here, we show that by nudging the large-scale atmospheric circulation in coupled climate models, model output can be compared to local observations for individual days. We illustrate this for three climate models during a period in April 2020 when a warm air intrusion reached the MOSAiC (Multidisciplinary drifting Observatory for the Study of Arctic Climate) expedition in the central Arctic. Radiosondes, cloud remote sensing and surface flux observations from the MOSAiC expedition serve as reference observations. The climate models AWI-CM1/ECHAM and AWI-CM3/IFS miss the diurnal cycle of surface temperature in spring, likely because both models assume the snowpack on ice to have a uniform temperature. CAM6, a model that uses three layers to represent snow temperature, represents the diurnal cycle more realistically. During a cold and dry period with pervasive thin mixed-phase clouds, AWI-CM1/ECHAM only produces partial cloud cover and overestimates downwelling shortwave radiation at the surface. AWI-CM3/IFS produces a closed cloud cover but misses cloud liquid water. Our results show that nudging the large-scale circulation to the observed state allows a meaningful comparison of climate model output even to short-term observational campaigns. We suggest that nudging can simplify and accelerate the pathway from observations to climate model improvements and substantially extends the range of observations suitable for model evaluation.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1998

Stratospheric Sulfuric Acid and Black Carbon Aerosol Measured During POLARIS and its Role in Ozone Chemistry

Stratospheric aerosol can affect the environment in three ways. Sulfuric acid aerosol have been shown to act as sites for the reduction of reactive nitrogen and chlorine and as condensation sites to form Polar Stratospheric Clouds, under very cold conditions, which facilitate ozone depletion. Recently, modeling studies have suggested a link between BCA (Black Carbon Aerosol) and ozone chemistry. These studies suggest that HNO3, NO2, and O3 may be reduced heterogeneously on BCA particles. The ozone reaction converts ozone to oxygen molecules, while HNO3 and NO2 react to form NOx. Finally, a buildup of BCA could reduce the single-scatter albedo of aerosol below a value of 0.98, a critical value that has been postulated to change the effect of stratospheric aerosol from cooling to warming. Correlations between measured BCA amounts and aircraft usage have been reported. Attempts to link BCA to ozone chemistry and other stratospheric processes have been hindered by questions concerning the amount of BCA that exists in the stratosphere, the magnitude of reaction probabilities, and the scarcity of BCA measurements. The Ames Wire Impactors (AWI) participated in POLARIS as part of the complement of experiments on the NASA ER-2. One of our main objectives was to determine the amount of aerosol surface area, particularly BCA, available for reaction with stratospheric constituents and assess if possible, the importance of these reactions. The AWI collects aerosol and BCA particles on thin Palladium wires that are exposed to the ambient air in a controlled manner. The samples are returned to the laboratory for subsequent analysis. The product of the AWI analysis is the size, surface area, and volume distributions, morphology and elemental composition of aerosol and BCA. This paper presents results from our experiments during POLARIS and puts these measurements in the context of POLARIS and other missions in which we have participated. It describes modifications to the AWI data analysis procedures in which the collection of BCA is modeled as a fractal aggregate. The new analysis results in an increase in BCA surface area of approximately 24 and an increase in mass of 7-10 from the previous method. For the current study, BCA surface area is used in computer models that attempt to predict measured NOx/NOy ratios and O3 depletion rates. Inclusion of the HNO3 reaction with BCA in one model tends to improve the agreement of calculated to measured NOx/NOy ratio. However, it was found that these trends are viable only if the reactions are catalytic.

Strawa, Anthony W.↗
DOE OSTI2023

Relationship of the Molecular Structure and Transport Properties of Imide-Based Lithium Salts of “Acetonitrile/Water-in-Salt” Electrolytes

“Water-in-salt” (WIS) electrolytes exhibit excellent safety and electrochemical performance. However, they possess high concentrations, relatively low diffusion coefficient, and high viscosity. “Acetonitrile/water in salt” (AWIS) electrolytes can overcome the disadvantages of WIS electrolytes. Under relatively low concentrations, AWIS electrolytes show good electrochemical performance comparable to WIS electrolytes and low conductivity. Herein, we investigate the relationship between the solvation structures and the transport properties using small-angle X-ray scattering and molecular dynamics simulation. We observed two solvation behaviors of AWIS: anions dissolved in acetonitrile forming small acetonitrile/anion clusters and additional water further dissolving the small acetonitrile/anion clusters. The introduction of acetonitrile weakens the water–solute interaction and enhances the cation–anion interaction, which results in an enhanced dynamical slowdown as the concentration increases. In conclusion, this work provides molecular-level understanding of the connection between two-stage solvation structures and transport properties for imide-based lithium salt solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Orientation and Conformation of Proteins at the Air–Water Interface Determined from Integrative Molecular Dynamics Simulations and Sum Frequency Generation Spectroscopy

Understanding the assembly of proteins at the air-water interface (AWI) informs the formation of protein films, emulsion properties, and protein aggregation. Determination of protein conformation and orientation at an interface is difficult to resolve with a single experimental or simulation technique alone. To date, the interfacial structure of even one of the most widely studied proteins, lysozyme, at the AWI remains unresolved. Here in this study, molecular dynamics (MD) simulations are used to determine if the protein adopts a side-on, head-on, or axial orientation at the AWI with two different forcefields, GROMOS-53a6 + SPC/E and a99SB-disp + TIP4P-D. Vibrational sum frequency generation (SFG) spectroscopy experiments and spectral SFG calculations validate consistency between the structure determined from MD and experiments. Overall, we show with strong agreement that lysozyme adopts an axial conformation at pH 7. Further, we provide molecular-level insight as to how pH influences the binding domains of lysozyme resulting in side-on adsorption near the isoelectric point of the lysozyme.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Advanced water iodinating system

Potable water stores aboard manned spacecraft must remain sterile. Suitable sterilization techniques are needed to prevent microbial growth. The development of an advanced water iodinating system for possible application to the shuttle orbiter and other advanced spacecraft, is considered. The AWIS provides a means of automatically dispensing iodine and controlling iodination levels in potable water stores. In a recirculation mode test, simulating application of the AWIS to a water management system of a long term six man capacity space mission, noniodinated feed water flowing at 32.2 cu cm min was iodinated to 5 + or - ppm concentrations after it was mixed with previously iodinated water recirculating through a potable water storage tank. Also, the AWIS was used to successfully demonstrate its capability to maintain potable water at a desired I2 concentration level while circulating through the water storage tank, but without the addition of noniodinated water.

Davenport, R. J.↗
NASA NTRS1998

Results of the NY-Alesund ozone measurements intercomparison NAOMI

Worldwide, about ten Differential Absorption Lidars are used for long-term monitoring of stratospheric ozone. These systems are an important component of the Network for the Detection of Stratospheric Change. Although DIALs are self-calibrating in principle, regular intercomparisons with other ozone-lidars, microwave radiometers or ozone-sondes are highly desirable to ensure high data quality at a well known level. The Network for the Detection of Stratospheric Change (NDSC) validation policy suggests that such intercomparisons be "blind", meaning all participants submit their data to an impartial referee, without seeing results from the other participants. Here we report on the "blind" intercomparison taking place from January 20th to February 10th 1998 at Ny-Alesund, Spitsbergen (78.92 deg N, 11.95 deg E). Participating groups were from the Alfred Wegener Institute, Potsdam, operating the NDSC DIAL system at Ny-Alesund, from the University of Bremen operating the NDSC microwave radiometer for ozone profiling at Ny-Alesund, and the NASA Goddard Space Flight Center group with the "NDSC travelling standard" STROZ-LITE. The first author acted as the impartial referee. Also used for the intercomparison were data from ECC-6A/Vaisala RS80 ozone sondes routinely launched at Ny-Alesund by the AWI group. A 1% KI solution (3 ml) and the 1986 ECC pump correction (1.092 at 5 hPa) are used. The ECC-data were available to all participants during the campaign and thus were not "blind". Table 1 summarizes the expected performance of the instruments participating in the ozone intercomparison reported in this paper.

Steinbrecht, W.↗
NASA NTRS1998

The Ny-Alesund aerosol and ozone measurements intercomparison campaign 1997/1998 (NAOMI-1998)

An intercomparison campaign for Lidar measurements of stratospheric ozone and aerosol has been conducted at the Primary Station of the Network for the Detection of Stratospheric Change (NDSC) in Ny-Alesund/Spitsbergen during January-February 1998. In addition to local instrumentation, the NDSC mobile ozone lidar from NASA/GSFC and the mobile aerosol lidar from Alfred Wegener Institute (AWI) participated. The aim is the validation of stratospheric ozone and aerosol profile measurements according to NDSC guidelines. This paper briefly presents the employed instruments and outlines the campaign. Results of the blind intercomparison of ozone profiles are given in a companion paper and temperature measurements are described in this issue.

Neuber, R.↗
DOE OSTI2025

Metagenome-assembled-genomes recovered from the Arctic drift expedition MOSAiC

The Multidisciplinary Observatory for Study of the Arctic Climate (MOSAiC) expedition consisted of a year-long drifting survey of the Central Arctic Ocean. The ecosystems component of MOSAiC included the sampling of molecular data, with metagenomes collected from a diverse range of environments. The generation of metagenome-assembled-genomes (MAGs) from metagenomes are a starting point for genome-resolved analyses. This dataset presents a catalogue of MAGs recovered from a set of 73 samples from MOSAiC, including 2407 prokaryotic and 56 eukaryotic MAGs, as well as annotations of a near complete eukaryotic MAG using the Joint Genome Institute (JGI) annotation pipeline. The metagenomic samples are from the surface ocean, chlorophyll maximum, mesopelagic and bathypelagic, within leads and under-ice ocean, as well as melt ponds, ice ridges, and first- and second-year sea ice. This set of MAGs can be used to benchmark microbial biodiversity in the Central Arctic Ocean, compare individual strains across space and time, and to study changes in Arctic microbial communities from the winter to summer, at a genomic level.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

The His-tag as a decoy modulating preferred orientation in cryoEM

The His-tag is a widely used affinity tag that facilitates purification by means of affinity chromatography of recombinant proteins for functional and structural studies. We show here that His-tag presence affects how coproheme decarboxylase interacts with the air-water interface during grid preparation for cryoEM. Depending on His-tag presence or absence, we observe significant changes in patterns of preferred orientation. Our analysis of particle orientations suggests that His-tag presence can mask the hydrophobic and hydrophilic patches on a protein’s surface that mediate the interactions with the air-water interface, while the hydrophobic linker between a His-tag and the coding sequence of the protein may enhance other interactions with the air-water interface. Our observations suggest that tagging, including rational design of the linkers between an affinity tag and a protein of interest, offer a promising approach to modulating interactions with the air-water interface.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Rapid Evaluation Framework for the CMIP7 Assessment Fast Track

As Earth system models (ESMs) grow in complexity and in volume of output data, there is an increasing need for rapid, comprehensive evaluation of their scientific performance. The upcoming Assessment Fast Track for the Seventh Phase of the Coupled Model Intercomparison Project (CMIP7) will require expeditious response for model analyses designed to inform and drive integrated Earth system assessments. To meet this challenge, the Rapid Evaluation Framework (REF), a community-driven platform for benchmarking and performance assessment of ESMs, was designed and developed. The initial implementation of the REF, constructed to meet the near-term needs of the CMIP7 Assessment Fast Track, builds upon four disparate community evaluation and benchmarking tools that are coupled together using the Coordinated Model Evaluation Capabilities (CMEC) framework. The REF runs within a containerized workflow for portability and reproducibility and is aimed at generating and organizing diagnostics covering a variety of model variables. The REF leverages well documented observational datasets to provide assessments of model fidelity across a collection of diagnostics. All diagnostics were identified and selected with community involvement and consultation. Operational integration with the Earth System Grid Federation (ESGF) will permit automated execution of the REF for selected diagnostics as soon as model output data are published on ESGF by the originating modeling centers. The REF is designed to be portable across a range of current computational platforms to facilitate use by modeling centers for assessing the evolution of model versions or gauging the relative performance of CMIP simulations before being published on ESGF. When integrated into production simulation workflows, results from the REF provide immediate quantitative feedback that allows model developers and scientists to quickly identify model biases and performance issues. After the REF is released to the community, its subsequent development and support will be prioritized by an international consortium of scientists and engineers, enabling a broader impact across Earth science disciplines. For instance, the REF will facilitate improvements to models and will enhance confidence in model projections through process-based selection of models based on their performance with respect to observations. Production of reproducible diagnostics and community-based assessments are key features of the REF. Furthermore, providing interoperability with existing evaluation packages assures that contributions from previous community efforts will be available for use in future model intercomparison projects.

Hoffman, Forrest [ORNL] (ORCID:0000000158024134)↗