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

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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Mathematical Modeling of Multi-Phenomena Anisotropic Systems: Ejection of Primary Aerosols during the Fast Pyrolysis of Biomass

This study introduces a novel particle model for biomass fast pyrolysis, incorporating an anisotropic cylindrical particle to address mass and energy transport coupled with aerosol ejection, which previous models have overlooked. The main contribution lies in developing a model that considers aerosol generation in anisotropic cylindrical particles for the first time, addressing bubbling dynamics and bursting within the liquid phase. The population balance equation describes bubble dynamics and aerosol formation, capturing phenomena like nucleation, growth, coalescence, and bursting. The model employs the method of moments with bubble volume as an internal variable, substantially reducing computational costs by eliminating dependence on this variable. Results highlight the significant impact of anisotropy and particle size on aerosol ejection: smaller, less elongated particles experience faster heating, quicker conversion, and the increased accumulation of the liquid intermediate phase. Specifically, 1 mm diameter particles yield higher concentrations of metaplast and bio-oil aerosols, exceeding 15%, compared to concentrations below 11% for 3 mm particles. This model provides insights into aerosol structure (volume, surface area), aiding in understanding aerosol reactivity at the reactor scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Estimating and Evaluating Roughness Length and Displacement Height in Heterogeneous Urban Environments

The roughness length (z 0 ) and displacement height (z d ) are essential surface-layer parameters in numerical models (e.g., weather, climate, wall-modeled LES, etc.). This work evaluates the consistency of z 0 and z d estimates from morphometric and anemometric methods using data from two eddy-covariance flux towers (AmeriFlux US-INg and US-INc) in Indianapolis, IN. Results show inconsistencies in estimated z 0 and z d values depending on the chosen method. The two evaluated anemometric methods estimate non-physical values of z d when compared to roughness elements surrounding both towers. Additionally, predictions of mean wind speed using surface-layer similarity theory with morphometric estimates exhibit a bias during near-neutral and stable conditions relative to observations. The overestimation of mean wind speed by surface layer similarity theory is consistent with previous observational and modeling studies in urban areas, suggesting that the application of similarity theories to urban environments may have limitations. Differentiation of vegetation from built structures appears to impact morphometric z 0 and z d estimates, particularly where vegetation is abundant; however, it has little impact on correcting biases in the similarity theory. Specifically, we find that existing similarity theories using morphometric estimates underestimate integral velocity and length scales, and the degree of underestimation depends on the stability conditions. Accounting for the degree of anisotropy in surface-layer turbulence helps reduce the biases between similarity theories and observations during unstable conditions, but not in near-neutral cases. Future work is needed to identify the cause of such biases for near-neutral conditions.

Aerodynamic roughness length↗
DOE OSTI2024

Toward Mass-Production of Transition Metal Dichalcogenide Solar Cells: Scalable Growth of Photovoltaic-Grade Multilayer WSe2 by Tungsten Selenization

Semiconducting transition metal dichalcogenides (TMDs) are promising for high-specific-power photovoltaics due to their desirable band gaps, high absorption coefficients, and ideally dangling-bond-free surfaces. Despite their potential, the majority of TMD solar cells to date are fabricated in a nonscalable fashion, with exfoliated materials, due to the lack of high-quality, large-area, multilayer TMDs. Here, we present the scalable, thickness-tunable synthesis of multilayer WSe2 films by selenizing prepatterned tungsten with either solid-source selenium at 900 degrees C or H2Se precursors at 650 degrees C. Both methods yield photovoltaic-grade, wafer-scale WSe2 films with a layered van der Waals structure and superior characteristics, including charge carrier lifetimes up to 144 ns, over 14x higher than those of any other large-area TMD films previously demonstrated. Simulations show that such carrier lifetimes correspond to ~22% power conversion efficiency and ~64 W g-1 specific power in a packaged solar cell, or ~3 W g-1 in a fully packaged solar module. The results of this study could facilitate the mass production of high-efficiency multilayer WSe2 solar cells at low cost.

carrier lifetime↗
DOE OSTI2020

Boosting the sodium storage behaviors of carbon materials in ether-based electrolyte through the artificial manipulation of microstructure

The porous carbon blacks rationally designed by a facile yet efficient NH 3 thermal etching route have been investigated as anode materials in an ether-based electrolyte for sodium-ion batteries. The as-synthesized CBN35 carbon black with a 35% weight loss after NH3 thermal etching exhibited a large specific charge capacity of 352 mAh g -1 at 50 mA g -1 and a superior rate capability of 101 mAh g -1 at 16000 mA g -1 , due to its highest microporosity, an appropriate surface area, a desirable microstructure, and a promising hybrid intercalation mechanism. Impressively, even cycled at 1600 mA g -1 over 3200 cycles, an outstanding reversible capacity of 103 mAh g -1 with a negligible 0.0162% capacity loss per cycle can still be achieved. Based on the multimodal characterizations including the structural probes of phase evolution for carbon materials, the electrochemical techniques, and the surface-sensitive XAS measurements, the exceptional electrochemical properties should stem from several merits of modified carbon black system. While the particular microporous structure provides relatively more accessible sodium storage sites, a novel hybrid intercalation mechanism in ether-based electrolyte would incorporate the sodium ion insertion into the disordered structure with the solvated sodium ion species co-intercalation into the graphitic phase. In addition to the diffusion-controlled redox reactions, the noticeable surface-induced pseudocapacitive reactions also significantly contribute to the charge storage upon sodiation and guarantee the rapid migrations of sodium ions/solvated compounds. In conclusion, this system further features a controlled emergence of a robust but thin solid electrolyte interphase layer, which could suppress the side reactions of active electrode with reactive electrolyte, maintain the fragile porous structure upon cycling, and facilitate the migrations of sodium ions and solvated sodium ion compounds.

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

In Situ Chemical Monitoring and Imaging of Contents within Microfluidic Devices Having a Porous Membrane Wall Using Liquid Microjunction Surface Sampling Probe Mass Spectrometry

The ability to observe dynamic chemical processes (e.g., signaling, transport, etc.) in vivo or in situ using nondestructive chemical imaging opens a new door to understanding the complex dynamics of developing biological systems. With the advent of “biology-on-a-chip” devices has come the ability to monitor dynamic chemical processes in a controlled environment, using these engineered habitats to capture key features of natural systems while allowing visual observation of system development. Having the capability to spatially and temporally map the chemical signals within these devices may yield new insights into the forces that drive biosystem development. Here, a porous membrane sealed microfluidic device was designed to allow normal microfluidic operation while enabling continuous, location specific sampling and chemical characterization by liquid microjunction surface sampling probe mass spectrometry (LMJ-SSP MS). LMJ-SSP was used to extract fluids with nL-to-μL/min flow rates directly from selected areas of the microfluidic device without negatively impacting the device function. These extracts were subsequently characterized using MS. This technique was used to acquire MS images of the entirety of several multi-input microfluidic devices having different degrees of fluid mixing. LMJ-SSP MS imaging visualized the spatial distribution of chemical components within the microfluidic channels and could visualize chemical reactions occurring in the device. These microfluidic devices with a porous membrane wall are wholly compatible with the construction of biology-on-a-chip devices. This ultimately would enable correlation of biosystem physical structure with an evolving chemical environment

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

ELM–Wet: Inclusion of a Wet–Landunit With Sub–Grid Representation of Eco–Hydrological Patches and Hydrological Forcing Improves Methane Emission Estimations in the E3SM Land Model (ELM)

Wetlands are the largest emitters of biogenic methane (CH 4 ) and represent the highest source of uncertainty in global CH 4 budgets. Here, we aim to improve the realism of wetland representation in the U.S. Department of Energy's Exascale Earth System Model land surface model, ELM, thereby reducing uncertainty of CH 4 flux predictions. We develop an updated version, ELM-Wet, where we activate a separate landunit for wetlands that handles multiple wetland-specific eco-hydrological patch functional types. We introduce more realistic hydrological forcing through prescribing site-level constraints on surface water elevation, which allows resolving different sustained inundation depth for different patches, and if data exists, prescribing inundation depth. We modified the calculation of aerenchyma transport diffusivity based on observed conductance per leaf area for different vegetation types. We use Bayesian Optimization to parameterize CO 2 and CH 4 fluxes in the developed wet-landunit. Site-level simulations of a coastal non-tidal freshwater wetland in Louisiana were performed with the updated model. Eddy covariance observations of CO 2 and CH 4 fluxes from 2012 to 2013 were used to train the model and data from 2021 were used for validation. Patch-specific chamber flux observations and observations of CH 4 concentration profiles in the soil porewater from 2021 were used for evaluation of the model performance. Our results show that ELM-Wet reduces the model's CH 4 emission root mean squared error by up to 33% and is able to represent inter-daily CO 2 and CH 4 flux variability across the wetland's eco-hydrological patches, including during periods of extreme dry or wet conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Estimating the Acute Health Impacts of Fire-Originated PM 2.5 Exposure During the 2017 California Wildfires: Sensitivity to Choices of Inputs

Exposure to wildfire smoke increases the risk of respiratory and cardiovascular hospital admissions. Health impact assessments, used to inform decision-making processes, characterize the health impacts of environmental exposures by combining preexisting epidemiological concentration–response functions (CRFs) with estimates of exposure. These two key inputs influence the magnitude and uncertainty of the health impacts estimated, but for wildfire-related impact assessments the extent of their impact is largely unknown. We first estimated the number of respiratory, cardiovascular, and asthma hospital admissions attributable to fire-originated PM 2.5 exposure in central California during the October 2017 wildfires, using Monte Carlo simulations to quantify uncertainty with respect to the exposure and epidemiological inputs. We next conducted sensitivity analyses, comparing four estimates of fire-originated PM 2.5 and two CRFs, wildfire and nonwildfire specific, to understand their impact on the estimation of excess admissions and sources of uncertainty. We estimate the fires accounted for an excess 240 (95% CI: 114, 404) respiratory, 68 (95% CI: -10, 159) cardiovascular, and 45 (95% CI: 18, 81) asthma hospital admissions, with 56% of admissions occurring in the Bay Area. Although differences between impact assessment methods are not statistically significant, the admissions estimates' magnitude is particularly sensitive to the CRF specified while the uncertainty is most sensitive to estimates of fire-originated PM 2.5 . Not accounting for the exposure surface's uncertainty leads to an underestimation of the uncertainty of the health impacts estimated. Employing context-specific CRFs and using accurate exposure estimates that combine multiple data sets generates more certain estimates of the acute health impacts of wildfires.

58 GEOSCIENCES↗
DOE OSTI2022

Porous Materials for Water Purification

Water pollution is a growing threat to humanity due to the pervasiveness of contaminants in water bodies. Significant efforts have been made to separate these hazardous components to purify polluted water through various methods. However, conventional remediation methods suffer from limitations such as low uptake capacity or selectivity, and current water quality standards cannot be met. Recently, advanced porous materials (APMs) have shown promise in improved segregation of contaminants compared to traditional porous materials in uptake capacity and selectivity. These materials feature merits of high surface area and versatile functionality, rendering them ideal platforms for the design of novel adsorbents. Here, this Review summarizes the development and employment of APMs in a variety of water treatments accompanied by assessments of task-specific adsorption performance. Finally, we discuss our perspectives on future opportunities for APMs in water purification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Multi-Sourced Collaboration for the Production and Refining of Rare Elements and Critical Metals (Final Technical Report)

The project objective was to develop a feasible and cost-effective method for recovering rare earth elements (REEs) and critical materials (CMs) from coal and coal byproducts, resulting in high-purity individually separated REEs and CMs. The targeted REEs included Y, Pr, Nd, Gd, Dy, and Sm, with a purity of over 99.5%, while the CMs included Co, Mn, Ga, Sr, Li, Ni, Zn, and Ge, with a purity of over 90%. The project aimed to design a prototype facility capable of producing 1-3 tonnes/day of high-purity REO mixes. The work was divided into four designated circuits: 1) REE extraction and concentration, 2) REE separation and purification, 3) RE metal production, and 4) CM production. To achieve these goals, the project involved 11 tasks, including technology reviews, research, process flow diagram development, mass balance estimation, and preliminary technical-economic analysis. The project team included researchers from the University of Kentucky, University of Alabama and Virginia Tech as well as process specialists from Argonne National Laboratory. MP Materials provided technical support regarding rare earth markets and processing while Alliance Coal performed resource assessment. The project included a market analysis for Nd/Pr, Tb, Dy, Gd, Y, Co, Mn, Li, Sr, Ga, Ni, Zn, and Ge. These analyses provided insights into the supply and demand trends as well as historic and future projections of market price relative to purity requirements for these elements. Two coal resources were selected for the project: the West Kentucky No. 13 (Baker) Seam and an undisclosed lignite resource in the Illinois coal basin. The estimated quantities of REEs in these resources were calculated based on production samples and drilling data. It was estimated that there is adequate supply for an operation producing one metric ton daily of higher purity mixed rare earth oxides (MREO) for approximately 20 years at a site located in western Kentucky. In Circuit 1, project data was obtained from a pilot heap leach and REE concentration facility. It was concluded that the existing circuit, which generated a MREO concentrate, two types of CM mixed products, and Li- and Sr-containing waters, would be suitable feed for circuits 2-4. Data from the first-of-its-kind coal coarse refuse heap leach pilot pad played a crucial role in estimating reliable elemental concentrations of the pregnant leaching solution (PLS). The average total REE concentration in the PLS was found to be 28.6 ppm. In Circuit 2, several concepts were explored including a novel process referred to as solvent-assisted chromatography (SAC). This concept involved a novel columnar reactor that incorporated multiple mixer/settlers, thereby enabling the operation of counter-flowing aqueous and organic phases. Unfortunately, due to project time constraints, a complete fundamental modeling analysis could not be completed to fully evaluate the technology. Molten salt electrowinning was considered as an alternative for circuit 3 following circuit 2 purification circuit utilizing the novel SAC process. A mass and energy balance of Nd reduction to metal in a fluoride containing molten salt electrolyte was conducted. Comparisons were made with the current state of Asian molten salt electrorefining, and potential improvements in siphoning rare earth metals (REM) from the reactor were presented. A cost estimate was performed for the production of 1 tonne per day, which yielded a total of $2.29 million for the nine electrowinning (EW) cells required. The selected option for circuits 2 and 3 was a plasma distillation process, which initially separates rare earth elements (REEs) from other elements. This is followed by selective electrowinning in various ionic liquids. The selection was made on the basis of thermodynamic modeling and experimental data previously published by a project partner. The combination offers an innovative approach to integrated refining and RE metal production. For Circuit 4, an extensive literature review was conducted for the processing of the CMs. The ultimate decision was to utilize a combined plasma and ionic liquid process as well to produce individual high-purity concentrates of Zn, Ni, Co, Mn, and Mg. A separate flowsheet for Li and Sr was recommended, which would yield carbonates of these elements. Due to the lack of suitable experimental data at this time, a process recommendation could not be provided but several methods have been proposed for consideration. Lastly, a techno-economic analysis (TEA) was conducted to assess the effectiveness of the proposed process for further investigation. The TEA results revealed a capital expense (CapEx) of $737 million and an annual operational expense (OpEx) of $220 million. Due to the selected elements, the hypothetical heap leach pad can produce 1 metric tonne per day of REO equivalent, but a conscious decision was made to only treat targeted REEs, resulting in the production of 0.4 metric tonne of REM. An estimated annual revenue of $90.87 million was projected based on standard market pricing information provided by the funding agency. During the TEA, ten different modules were evaluated for costing purposes. The precipitation circuit was identified as the largest single operational expense, followed by the Mg/Mn process due to the amount of treated metal. In terms of capital expenditures, the heap leach process incurred the highest cost, followed by the Mg/Mn process. The scalability of the plasma process is a crucial consideration since the reactors cannot be scaled beyond the largest demonstrated size due to their reliance on surface area of the slag and vapor phase. The purity estimate for the REEs are generally 98%±2% to produce a metal. The purity level being lower than the project objective was due to the lack of specific experimental data needed to tighten the tolerance of the estimates. Based on literature and previous experience, the CMs are estimated as follows; Ga (95%+, metal), Sr (95%+, carbonate), Li (95%+, carbonate), Ni (98%±2%, metal), Zn (95%+, metal sponge), Ge (95%+, metal), Co (98%±2%, metal), and Mn (98%±2%, metal).

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Implications of Local Cathode Structure in Solid-State Batteries

Solid-state batteries (SSBs) are promising candidates for energy storage systems—specifically for automotive applications—owing to their higher energy density and supreme safety. SSBs currently must improve area-specific cathode loadings as well as the electro-chemo-mechanical stability at high voltages. Composite cathodes in SSBs are comprised of active material, ion and electronic conductors, binders, and electronic conducting materials. In addition to experimental limitations with engineering thick cathode architectures, low utilization and chemomechanical degradation of the cathodes limit the performance of composite cathodes. Composite cathodes must optimize several parameters simultaneously to achieve high performances that include loading, electrochemically active surface area, mechanical resilience, and porosity. This chapter summarizes the current state-of-the-art applications with regard to composite cathodes for SSBs and provides insights into cathode architectures using geometric packing models. Tailoring ion and electron transport pathways within the electrode while mitigating operational stresses is crucial for achieving energy-dense cathode structres for SSBs.

Dixit, Marm↗
DOE OSTI2022

Quantum minimal surfaces from quantum error correction

We show that complementary state-specific reconstruction of logical (bulk) operators is equivalent to the existence of a quantum minimal surface prescription for physical (boundary) entropies. This significantly generalizes both sides of an equivalence previously shown by Harlow[1]; in particular, we do not require the entanglement wedge to be the same for all states in the code space. In developing this theorem, we construct an emergent bulk geometry for general quantum codes, defining ``areas'' associated to arbitrary logical subsystems, and argue that this definition is ``functionally unique.'' We also formalize a definition of bulk reconstruction that we call ``state-specific product unitary’’ reconstruction. This definition captures the quantum error correction (QEC) properties present in holographic codes and has potential independent interest as a very broad generalization of QEC; it includes most traditional versions of QEC as special cases. Our results extend to approximate codes, and even to the ``non-isometric codes'' that seem to describe the interior of a black hole at late times.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Invertible Design Manifolds for Heat Transfer Surfaces (INVERT) (Final Technical Report)

This final report briefly reviews the main technical accomplishments of the INVERT award, summarizes existing or planned publications or transitions from the effort, and lastly reviews T2M strategies resulting from the program. Specifically, under the award, our team studied three main technical areas and performed one preliminary T2M study on the cost-benefit analysis of Inverse Design Methods and one major software release (the Maryland Inverse Design Benchmark Suite).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Perennial grass root system specializes for multiple resource acquisitions with differential elongation and branching patterns

Roots optimize the acquisition of limited soil resources, but relationships between root forms and functions have often been assumed rather than demonstrated. Furthermore, how root systems co-specialize for multiple resource acquisitions is unclear. Theory suggests that trade-offs exist for the acquisition of different resource types, such as water and certain nutrients. Measurements used to describe the acquisition of different resources should then account for differential root responses within a single system. To demonstrate this, we grew Panicum virgatum in split-root systems that vertically partitioned high water availability from nutrient availability so that root systems must absorb the resources separately to fully meet plant demands. We evaluated root elongation, surface area, and branching, and we characterized traits using an order-based classification scheme. Plants allocated approximately 3/4th of primary root length towards water acquisition, whereas lateral branches were progressively allocated towards nutrients. However, root elongation rates, specific root length, and mass fraction were similar. Our results support the existence of differential root functioning within perennial grasses. Similar responses have been recorded in many plant functional types suggesting a fundamental relationship. Root responses to resource availability can be incorporated into root growth models via maximum root length and branching interval parameters.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Leaf functional traits highlight phenotypic variation of two tree species in the urban environment

Urbanization is transforming landscapes globally, altering environmental conditions that affect ecosystem functioning, particularly in urban areas where trees are crucial for regulating microclimates, improving air quality, and sustaining biodiversity. This study investigates the environmental differences and tree leaf structure and morphology in urban and suburban sites in the Chicago Metropolitan Region. The leaf functional traits of Norway Maple and Little − leaved Linden were studied in three locations in the summer of 2023: an urban park (University of Illinois Chicago, Chicago, IL), a suburban park (Morton Arboretum, Lisle, IL), and a suburban residential site (Lombard, IL). The urban site had higher daytime and nighttime air, and land surface temperatures compared to the suburban sites with significant fluctuations observed across the sites. Cumulative growing degree days, a measure of potential photosynthetically active days, were also higher in the urban park than in the suburban sites between March and August. Norway Maple trees growing in the urban site displayed higher specific leaf area (SLA) and lower leaf dry matter content (LDMC) than in the suburban sites, resulting in thinner leaves. Similarly, Little−leaved Linden trees in the suburban residential site displayed higher SLA and lower LDMC than those in the suburban park. The values of gas exchange traits − namely photosynthetic assimilation, transpiration rates, and stomatal conductance − of Norway Maple were higher at the urban site compared to suburban sites as temperatures increased during the summer. Norway Maple gas exchange values decreased as the growing season progressed, as expected by ontogeny. In contrast, Little−leaved Linden maintained similar leaf gas exchange values throughout the growing season. Both species in the urban site exhibited lower instantaneous water use efficiency and reduced LDMC, suggesting greater water loss in response to elevated temperatures compared to suburban park and residential sites. Comparisons with existing global trait databases emphasize the need for localized data to accurately capture site−specific responses. Although some traits aligned with database values, others deviated significantly, underscoring the importance of comprehensive, site−specific datasets for robust ecosystem modeling and management strategies.

Cho, Ahram↗
DOE OSTI2023

Schneider Springs Fire Study 2023 for Ecosystem Respiration Rates: Surface Water Chemistry and Hydrologic Sensor Data across the Yakima River Basin, Washington, USA (v2)

This dataset supports a broader study examining the drivers of spatial variability in wildfire impacts across the Yakima River Basin. Data provided within this dataset were generated from sample collection across 17 total sites (8 sites affected by a recent wildfire, 9 sites unaffected by a recent wildfire) within multiple rivers throughout the Yakima River Basin in Washington, USA from May-July 2023. Fire affected sites are defined as those affected by the 2021 Schneider Springs Fire, based on the drainage area of the streams being within the 2021 Schneider Springs Fire burn perimeter or not (Figure 1, below). The contents include surface water geochemistry data (dissolved organic carbon; total dissolved nitrogen; total suspended solids); short-term sonde data (specific conductivity; turbidity; pH; chlorophyll A; temperature); stream depth data; stream velocity; manual chamber open channel respiration data; sensor time-series data (oxygen; water pressure; barometric pressure); field metadata (including qualitative information on in stream and river corridor characteristics); and environmental context photos taken in the field. The dataset also includes a summary file of the sensor data and plots of the sensor data. Sensors were only recovered at 15 out of the 17 sites, and not all sensors were recovered at all 15 sites (see Methods section for more details), therefore all data does not exist at all sites. Data from a 2022 study at the same sites, as well as additional sites, can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/1969566. The data package was originally published in November 2023. It was updated in June 2025 (v2; modified files). See the change history section in the readme for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of one folder with field photos and one main data folder with two subfolders. The main data folder consists of (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) field protocol; (5) readme; (6) international generic sample number (IGSN) mapping file; and (7) stream depth and averages. The sensor data subfolder consists of (1) sensor installation methods summary; (2) stream velocity; and (3) six subfolders. The BarotrollAtm (barometric pressure; temperature), DepthHOBO (water pressure; temperature), MantaRiver (specific conductivity; turbidity; pH; chlorophyll A; temperature), EXO (specific conductivity; pH; temperature), miniDOT (dissolved oxygen; temperature), and miniDOTManualChamber (dissolved oxygen; temperature) contain time-series data, plots, and summary files. The sample data subfolder consists of (1) total suspended solids (TSS) data; (2) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (3) total dissolved nitrogen (TN) data and averages; and (4) methods codes. All files are .csv, .pdf, .jpg, .jpeg, or .mov.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Developing A New NG Super-Absorbent Polymer (NG-SAP) for a Practical NG Storage System with Low Pressure, Ambient Temperature, and High Energy Density

This R&D project proposed a systematical study to develop a new class of NG super-absorbent polymer (NG-SAP) with the objective to achieve similar CNG volumetric storage level ~250 cm 3 -STP/cm 3 and fast sorption-desorption kinetics at ambient temperature but lower operational pressure (<100 bar). We suggested two consecutive research phases, including (i) a systematical investigation of various polymer systems to identify the suitable classes that can exhibit methane (C1) binding energy in the range of 20-25 kJ/mol and then (ii) focusing on the potential class polymers to identify the specific structure and morphology that can achieve the project objective.In first research phase (1st year), the major tasks included design and synthesis of several representative polymers with various structure attributes, examining their molecular structures, pore morphology, and BET surface area as the prepared samples, and then studying their C1 binding energy and sorption capacity.

03 NATURAL GAS↗
DOE OSTI2020

Controls on the 36 Cl/Cl input ratio of paleo-groundwater in arid environments: New evidence from 81 Kr/Kr data

In this study, measurements of the long-lived 81 Kr and 36 Cl radioisotopes in groundwater from the Negev Desert (Israel) were used to assess the 36 Cl/Cl input ratios and Cl – contents for paleorecharge into the Nubian Sandstone Aquifer (NSA). The reconstructed Cl – content of the recharge flux was on the order of 300–400 mg/L. An initial 36 Cl/Cl ratio of 50 × 10 –15 was assessed for the groundwater replenishment in the Negev Desert since the late Pleistocene, in agreement with the 36 Cl/Cl ratios in recent local rainwater. This is despite possible changes in the climatic conditions and the 36 Cl production rates in the atmosphere over this timeframe. This similarity in values is explained by the major role played by the erosion and weathering of near-surface materials in the desert environment that dominate the hydrochemistry of rains, floods, and the consequent groundwater recharge. Spatial variation in the reconstructed initial 36 Cl/Cl ratio is accounted for by the differences in the mineral aerosol sources for specific recharge areas of the NSA. Accordingly, regional variations in the 36 Cl/Cl input in groundwater reservoirs surrounding the Mediterranean Sea indicate various processes that govern the 36 Cl/Cl system. Finally, the results of this study highlight the great advantage of integrating 81 Kr age information in evaluating the initial 36 Cl/Cl and Cl – input, which is essential for the calibration of 36 Cl radioisotope as an available long-term dating tool for a given basin.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Imaging hole-density inhomogeneity in arsenic-doped CdTe thin films by scanning capacitance microscopy

We report nanometer-scale hole-density imaging in As-doped CdTe films by scanning capacitance microscopy (SCM). The hole-density profiling is validated by contrasting a CdTe cross-section sample made by molecular-beam epitaxy with systematically increased As doping in a staircase pattern over the range of 10 15 -10 18 /cm 3 within a single film. In polycrystalline films, the carrier distribution is significantly nonuniform, with inhomogeneity ranging from several hundred nm to several um and hole density varying by one order of magnitude (low 10^16 to low 10 17 /cm 3 ). This nonuniformity is distributed randomly, independent of the grain structure and grain boundaries (GBs). Kelvin probe force microscopy (KPFM) maps the surface potential and is correlated to cathodoluminescence (CL) and SCM by imaging over identical areas. Higher potential and lower CL intensity are found on GBs but not by SCM contrast; this indicates positive GB charging and recombination, but not GB-specific hole-density changes. The overall KPFM potential image is in rough agreement with the SCM carrier distribution and indicates band-edge potential fluctuations. Nonuniform carrier concentration, potential fluctuations, and defect recombination can all cause voltage and performance loss in As-doped CdTe solar technology.

14 SOLAR ENERGY↗