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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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Utilizing Earth Observations of Soil Freeze/Thaw Data and Atmospheric Concentrations to Estimate Cold Season Methane Emissions in the Northern High Latitudes

The northern wetland methane emission estimates have large uncertainties. Inversion models are a qualified method to estimate the methane fluxes and emissions in northern latitudes but when atmospheric observations are sparse, the models are only as good as their a priori estimates. Thus, improving a priori estimates is a competent way to reduce uncertainties and enhance emission estimates in the sparsely sampled regions. Here, we use a novel way to integrate remote sensing soil freeze/thaw (F/T) status from SMOS satellite to better capture the seasonality of methane emissions in the northern high latitude. The SMOS F/T data provide daily information of soil freezing state in the northern latitudes, and in this study, the data is used to define the cold season in the high latitudes and, thus, improve our knowledge of the seasonal cycle of biospheric methane fluxes. The SMOS F/T data is implemented to LPX-Bern DYPTOP model estimates and the modified fluxes are used as a biospheric a priori in the inversion model CarbonTracker Europe-CH 4 . The implementation of the SMOS F/T soil state is shown to be beneficial in improving the inversion model’s cold season biospheric flux estimates. Our results show that cold season biospheric CH4 emissions in northern high latitudes are approximately 0.60 Tg lower than previously estimated, which corresponds to 17% reduction in the cold season biospheric emissions. This reduction is partly compensated by increased anthropogenic emissions in the same area (0.23 Tg), and the results also indicates that the anthropogenic emissions could have even larger contribution in cold season than estimated here.

54 ENVIRONMENTAL SCIENCES↗

The Importance of Freeze/Thaw Cycles on Lateral Transport in Ice-Wedge Polygons: Modeling Archive

This Modeling Archive is in support of an NGEE Arctic publication "The importance of freeze/thaw cycles on lateral transport in ice-wedge polygons". The dataset includes xml input/configuration files. These files are compatible with the ATS version 1.0 and higher. The mesh folder contains mesh files used for high-centered polygon (hcp) and low-centered polygon (lcp). The mesh files represent the transect of the polygonal tundra (Fig 1). Here we used two types of mesh with impermeable layer and without. The mesh with an impermeable layer corresponds to the synthetic permafrost (no freezeup case). The freeze up case uses mesh without impermeable layer to simulated frozen ground start at the same depth where the impermeable layer is for the no freezeup case. The meteorological data used drive the model saved in the "inputs" folder. The processed tracer flow rates are saved in the "tracer-flow-ratesCfolder. To plot figures 1 and 2, we used VisIt software. To plot all the flow rates, we used ipython notebook script. All required inputs are saved in "freezeup" and "no freezeup" folders. Each folder includes the corresponding "lcp" and "hcp" folders. The "freezeup" folder has also flat-centered polygon (fcp) case, low porosity "lpor", and low permeability "lper" cases. Included are *.xml, *.exo, *.h5, *pdf, *.ipynb, *.sh, *.py, and *.out files. NGEE Arctic Project Summary: The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Soil Microbes Trade-Off Biogeochemical Cycling for Stress Tolerance Traits in Response to Year-Round Climate Change

Winter air temperatures are rising faster than summer air temperatures in high-latitude forests, increasing the frequency of soil freeze/thaw events in winter. To determine how climate warming and soil freeze/thaw cycles affect soil microbial communities and the ecosystem processes they drive, we leveraged the Climate Change across Seasons Experiment (CCASE) at the Hubbard Brook Experimental Forest in the northeastern United States, where replicate field plots receive one of three climate treatments: warming (+5°C above ambient in the growing season), warming in the growing season + winter freeze/thaw cycles (+5°C above ambient +4 freeze/thaw cycles during winter), and no treatment. Soil samples were taken from plots at six time points throughout the growing season and subjected to amplicon (rDNA) and metagenome sequencing. We found that soil fungal and bacterial community composition were affected by changes in soil temperature, where the taxonomic composition of microbial communities shifted more with the combination of growing-season warming and increased frequency of soil freeze/thaw cycles in winter than with warming alone. Warming increased the relative abundance of brown rot fungi and plant pathogens but decreased that of arbuscular mycorrhizal fungi, all of which recovered under combined growing-season warming and soil freeze/thaw cycles in winter. The abundance of animal parasites increased significantly under combined warming and freeze/thaw cycles. We also found that warming and soil freeze/thaw cycles suppressed bacterial taxa with the genetic potential for carbon (i.e., cellulose) decomposition and soil nitrogen cycling, such as N fixation and the final steps of denitrification. These new soil communities had higher genetic capacity for stress tolerance and lower genetic capacity to grow or reproduce, relative to the communities exposed to warming in the growing season alone. Our observations suggest that initial suppression of biogeochemical cycling with year-round climate change may be linked to the emergence of taxa that trade-off growth for stress tolerance traits.

54 ENVIRONMENTAL SCIENCES↗

Thermo-hydro-mechanical analysis of subsurface ice-based thermal energy storage

Ice-based thermal energy storage systems are widely utilized for cooling and managing peak electrical demand globally, offering daily or weekly storage capabilities for both individual homes and larger office buildings. However, scaling these systems for district-level cooling or integrating them with renewable energy sources presents challenges, especially in accommodating larger volumes and addressing seasonal storage requirements in densely populated urban areas. This paper proposes a novel solution by evaluating subsurface ice-based thermal energy storage, in which the underground is subjected to seasonal freeze/thaw cycles. However, these cycles may influence ground behavior, affecting pore pressure and inducing ground movement. To systematically investigate these challenges, we enhance the TOUGH-FLAC simulator by integrating water/ice phase change capabilities and updating the effective stress–strain constitutive relation. Both modifications are validated against analytical solutions or experimental data. Through numerical simulations spanning a decade with ten seasonal freeze/thaw cycles, we evaluate the performance and long-term stability of a generic subsurface ice-based thermal energy storage system, considering factors such as ground permeability, freezing pipe spacing, freeze/thaw damage, and glycol solution temperature. The simulations indicate that ice formation induces pore pressure variations that drive seasonal surface heave and settlement, controlled by ground permeability, pipe spacing, and glycol solution temperature, along with tensile and localized shear deformation around freeze pipes. This highlights the need for accurate ground property characterization and geomechanical analysis for subsurface ice-based thermal energy storage.

Ground freezing↗

Local-Field Effects in Linear Response Properties within a Polarizable Frozen Density Embedding Method

In this work, we present a polarizable frozen density embedding (FDE) method for calculating polarizabilities of coupled subsystems. The method (FDE-pol) combines a FDE method with an explicit polarization model such that the expensive freeze/thaw cycles can be bypassed, and approximate nonadditive kinetic potentials are avoided by enforcing external orthogonality between the subsystems. To describe the polarization of the frozen environment, we introduce a Hirshfeld partition-based density-dependent method for calculating the atomic polarizabilities of atoms in molecules, which alleviates the need to fit the atomic parameters to a specific system of interest or to a larger general set of molecules. Further, we show that the Hirshfeld partition-based method predicts molecular polarizabilities close to the basis set limit, and thus, a single basis set-dependent scaling parameter can be introduced to improve the agreement against the reference polarizability data. To test the model, we characterized the uncoupled and coupled response of small interacting molecular complexes. Here, the coupled response properties include the perturbation of the frozen system due to the external perturbation which is ignored in the uncoupled response. We show that FDE-pol can accurately reproduce both the exact uncoupled polarizability and the coupled polarizabilities of the supermolecular systems. Using damped response theory, we also demonstrate that the coupled frequency-dependent polarizability can be described by including local field effects. The results emphasize the necessity of including local-field effects for describing the response properties of coupled subsystems, as well as the importance of accurate atomic polarizability models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantifying Variability and Controls of Riverine Dissolved Organic Carbon Exported to Arctic Coastal Margins of North America (Final Report)

This project involved implementation and application of a coupled permafrost hydrology and dissolved organic carbon process models to investigate how spatial and seasonal variations in terrestrial hydrology and soil freeze/thaw dynamics influence the mobilization, loading, and export of organic carbon to the stream network for selected arctic basins across northern Alaska and northwest Canada. The model simulations were constrained by detailed observations of in- stream chemistry, soil active layer profile moisture and temperature dynamics, streamflow, soil carbon inventories and satellite microwave remote sensing based assessments of surface soil freeze-thaw dynamics. We developed and applied the numerical modeling and data analysis, incorporating observed data for calibration and validation, in order to investigate the terrestrial hydrology, permafrost dynamics, and associated DOC production and loading to rivers across a region encompassing watersheds draining to the coast. The project produced six publications and three datasets archived in public repositories.

54 ENVIRONMENTAL SCIENCES↗

High-Density, Low-Hysteresis Storage Using Hydrated Salts in Surface-Functionalized Hydrogels (Final Technical Report)

Nearly 70 years ago, Glauber’s salt was identified as a leading phase change material (PCM) in terms of its heat storage density (~2x paraffin), thermal conductivity (~1W/m·K), safety, availability and cost (~$\$$100/ton). However, the complex issues of supercooling and incongruent melting due to phase separation have prevented realization of the promise. The addition of thickeners and nucleating agents such as borax solve these issues but only over few cycles. This work aims to (a) resolve long-standing challenges with Glauber’s salt as a thermal storage material through a unique materials approach, (b) to characterize the new material’s properties that are relevant to performance and (c) to explore its incorporation into commercial water heaters. The materials concept involves encapsulating the salt in custom-designed, large-mesh hydrogels that enable breakthrough advances. Specifically, (1) the choice of mesh size and polymer chemistry control diffusion of salt/water and help to eliminate phase segregation. With the hydrogel itself occupying <10% volume, there is little loss in storage density compared to another encapsulation. (2) Specific nucleation centers that covalently tether to the hydrogel trigger heterogeneous nucleation, eliminating supercooling-associated hysteresis losses. The fact that they are spatially tethered, prevents the loss in performance over multiple freeze/thaw cycles (>100). We report extensive characterization of the hydrogel complex in terms of its storage density, freezing/melting temperature, cycling losses, rheological properties, aging and thermal conductivity. The novel material developed in this work is a significant advancement over the state-of-art. Finally, we investigate its potential as a thermal storage material for commercial/residential water heating and identify scenarios in which its deployment is advantageous.

25 ENERGY STORAGE↗

Screen-Printed Complex Ag Inks for Si HJT Metallization

Metallization using reactive metal inks has recently attracted significant research interest due to its advantages in cost of materials and manufacturing, while still achieving performance comparable to traditional fire-through particle pastes. Here, we present for the first time the use of reactive silver (Ag) inks via industrial screen-printing and inkjet printing methods for the metallization of different Si surfaces used in tunneling oxide passivating contacts (TOPCon) and Silicon heterojunction (SHJ) solar cells. Printed Ag lines exhibit a conductivity of ~5 Mu O·cm, which is approximately 3 times that of bulk Ag (1.59 µO·cm). The printed metal has a thickness of ~0.5-1.5 Mu m, an order of magnitude smaller than the current fire-through metal finger thickness (~15 Mu m). Contact resistivity measurements of the screen-printed and inkjet-printed samples on a transparent conducting oxide (TCO) surface show a very low value of ~0.2-12 mO·cm 2. Photoluminescence images of the metallized samples demonstrate minimal surface passivation degradation compared to the non-metallized areas (?iVoc <3.5 mV). Scanning electron microscopy images (SEM) reveal the structure of the printed metals on the Si surfaces as porous but much denser than fire-through Ag by nanoparticle paste. In the final presentation, we will showcase our results of printing these reactive Ag inks on high-efficiency heterojunction and TOPCon solar cells with full-area M6 wafers. Additionally, the adhesion of these reactive Ag inks on different Si surfaces according to ASTM D3359-17, as well as the performance of solar cells after standard IEC 61215 freeze/thaw and damp heat tests, will be presented. These new metal inks show promising potential as an alternative to the currently dominant particle-based pastes, offering lower Ag consumption and lower processing temperatures without compromising performance.

heterojunction solar cells↗

Organic layer thickness and carbon concentration in burned and unburned sites, Seward Peninsula, AK, 2022

Measurements associated with organic layer samples collected from naturally burned (1971, 2002, 2015, 2019) and unburned sites at the Kougarok Fire Complex, Seward Peninsula, AK, 2022. Here, a discontinuous permafrost underlies an arctic tundra ecosystem. Measurements include elemental carbon and nitrogen concentrations and stocks, organic layer thickness, and thaw depth. There are five files in *.csv format with one data file and four data description files including data dictionary, methods, terminology, and file-level metadata. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Post-fire soil respiration in late growing season (2023 and 2024), Kougarok Fire Complex, Seward Peninsula, Alaska

Field soil respiration data collected in 2023 and 2024 from burned and unburned tussock tundra sites in the Kougarok Fire Complex, near Nome, on the Seward Peninsula of Alaska. Specifically, we measured soil properties and late-growing season CO2 fluxes in patches of unique plant functional types (forbs, shrubs, and graminoids) across two years in tundra recovering from repeated wildfires over the decade. The goal was to identify the main drivers of soil respiration in Arctic tundra underlain by discontinuous permafrost that is recovering from two recent, repeated wildfires that differed in fire age and number of times burned, thereby resulting in different levels of vegetation and subsurface property changes (i.e., successional trajectories). There are five files in *.csv format with one data file and four data description files including data, dictionary, methods, terminology, and file-level metadata. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), is a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic Phase 3 project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

Santos, Fernanda [ORNL] (ORCID:0000000191555623)↗

Thaw depth, soil moisture, and vegetation height, Teller and Kougarok sites, Seward Peninsula, Alaska, 2022

Thaw depth, soil moisture, and vegetation height sampled from locations on the Teller MM27, Kougarok MM80, and Kougarok MM82 NGEE-Arctic sites, Seward Peninsula, Alaska. These data were collected in support of the ongoing NGEE-Arctic and NASA ABoVE data synthesis work. Samples were collected in July 2022, including 6 transects covering the entire Teller MM27 watershed and 4 transects covering 4 thaw ponds at Kougarok MM80 and MM82. This data package includes sample information and thaw depth, soil moisture, vegetation height data (.csv). Metadata files include data descriptions (_dd.csv) for tabular data and file level metadata (.csv). The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗