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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Uranium and strontium fate in waste-weathered sediments: Scaling of molecular processes to predict reactive transport

Objectives of the project: 1. Determine the process coupling that occurs between mineral transformation and contaminant (U and Sr) speciation in acid-uranium waste weathered Hanford sediments. 2. Establish linkages between molecular-scale contaminant speciation and meso-scale contaminant lability, release and reactive transport. 3. Make conjunctive use of molecular- to bench-scale data to constrain the development of a mechanistic, reactive transport model that includes coupling of contaminant sorption-desorption and mineral transformation reactions. Hypotheses tested: - Uranium and strontium speciation in legacy sediments from the U-8 and U-12 Crib sites can be reproduced in bench-scale weathering experiments conducted on unimpacted Hanford sediments from the same formations. - Reactive transport modeling of future uranium and strontium releases from the vadose zone of acid-waste weathered sediments can be effectively constrained by combining molecular-scale information on contaminant bonding environment with grain-scale information on contaminant phase partitioning, and meso-scale kinetic data on contaminant release from the waste-weathered porous media. - Although field contamination and laboratory experiments differ in their diagenetic time scales (decades for field vs. months to years for lab), sediment dissolution, neophase nucleation, and crystal growth reactions that occur during the initial disequilibrium induced by waste-sediment interaction leave a strong imprint that persists over subsequent longer-term equilibration time scales and, therefore, give rise to long-term memory effects. Enabling capabilities developed: Our team developed an iterative measure-model approach that is broadly applicable to elucidate the mechanistic underpinnings of reactive contaminant transport in geomedia subject to active weathering. Experimental design: Hypotheses were tested by comparing (with a similar set of techniques) the geochemical transformations and transport behaviors that occured in bench-scale studies of waste-sediment interaction with parallel model systems studies of homogeneous nucleation and neo-phase dissolution. Initial plans were to compare results with core sample extractions from the acid uranium waste impacted U-8 and U-12 Cribs at Hanford (see original proposal and letter of collaboration from J. Zachara). However, this part of the project was impossible because funding for core extractions were eliminated from the DoE budget. Three distinct crib waste aqueous simulants (whose composition is based on the most up-to-date information from field site investigations) were reacted with Hanford sediments in batch and column systems. Coupling of contaminant uptake to mineral weathering was monitored using a suite of methods both during waste-sediment interaction, and after, when waste-weathered sediments were subjected to infusion with circumneutral background pore water solutions. Our research was designed to adapt as needed to maintain a strong dialogue between laboratory and modeling investigations so that model development was increasingly constrained by emergent data and understanding. Potential impact of the project to DOE: Better prediction of contaminant uranium transport was achieved by employing multi-faceted lines of inquiry to build a strong bridge between molecular- and field-scale information. By focusing multiple lines and scales of observation on a common experimental design, our collaborative team revealed non-linear and emergent behavior in contaminated weathering systems. A goal of the current project was to expand our modeling capabilities, originally focused on hyperalkaline legacy waste streams, to include acidic weathering reactions that, as described above, were expected to result in profoundly different products. We were able to achieve this goal, and showed that these products nonetheless undergo analogous silicate and non-silicate transformation, ripening and aging processes. Our prediction that these weathering reactions would vary with waste stimulant chemistry resulted in data that was incorporated directly into a reactive transport model structure.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

CO 2 /Brine/Rock Interactions in the Cedar Keys-Lawson Formation

It has been reported that among the various geologic storage options, deep saline aquifers have the largest estimated capacity for CO 2 storage. Obtaining knowledge of possible artificially geochemically induced changes to the permeability and porosity of host CO 2 storage deposits will enable us to gain insight on long-term reservoir behavior under CO 2 storage conditions. An experimental study of the interaction of CO 2 /brine/rock on saline formations was conducted in a static system under CO 2 storage conditions. Chemical interactions in the Cedar Keys-Lawson Formation carbonate during exposure to CO 2 and brine under sequestration conditions were studied. Samples were exposed to the simulated in-situ reaction conditions for one and six months. The samples were exposed to a model brine at 55 °C and CO 2 pressure of 23.8 MPa (3,500 psig). Computed tomography (CT), x-ray diffraction (XRD), scanning electron microscopy (SEM)-energy dispersive x-ray spectroscopy (EDS), brine composition, core porosity, and core permeability analyses were conducted prior to and after the exposure experiments. Preliminary permeability measurements obtained from the core samples showed changes after they were exposed to CO 2 -saturated brine for one and six months. This observation suggests that mineral dissolution and mineral precipitation could occur in the host deposit altering its characteristics for CO 2 storage over time. The 3D images of the pore space clearly illustrate the degree of dissolution that occurred during exposure. It is noted that the dissolution that occurred during the six-month exposure could have enhanced the connectivity between voids. This may contribute the increase of permeability after the CO 2 /brine exposure. In addition, the primary minerals comprising the core are dolomite and gypsum. Both minerals could dissolve in the CO 2 /brine environment resulting in the increase of permeability after the six-month exposure.

58 GEOSCIENCES↗
DOE OSTI2015

Pacific Marine Energy Center benthic physical conditions, macrofauna, and groundfish abundances

From 2010 to 2015, box core grabs were collected at permanent stations around the Pacific Marine Energy Center - North Energy Test Site (PMEC-NETS) off Newport, Oregon. At each box core station a conductivity, temperature, depth (CTD) cast was conducted. These data include the CTD from the bottom of the cast, sediment grain size analysis, total organic carbon and nitrogen analysis (for the first 3 years only) and macrofaunal organism abundances as retained on a 1 mm mesh sieve. From 2012 to 2015, additional box core grabs were collected around two of the anchors deployed at PMEC-NETS to assess potential changes to sediment conditions and/or organism abundances. From 2013 to 2015, box core samples also were collected in and around the South Energy Test Site (PMEC-SETS). The CTD, grain size, and organism abundances are included. Additionally from 2010 to 2015 beam trawls were conducted at 9 stations (a subset of the box core stations) around PMEC-NETS and CTD casts were conducted before the start of each trawl. Again the CTD data from the bottom of the cast are included. Organism data are fish densities based on the estimated number of meters covered by the trawl. No trawls were conducted at PMEC-SETS.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

Organic matter distribution in the icy environments of Taylor Valley, Antarctica

Glaciers can accumulate and release organic matter affecting the structure and function of associated terrestrial and aquatic ecosystems. Here we analyzed 18 ice cores collected from six locations in Taylor Valley (McMurdo Dry Valleys), Antarctica to determine the spatial abundance and quality of organic matter, and the spatial distribution of bacterial density and community structure from the terminus of the Taylor Glacier to the coast (McMurdo Sound). Our results showed that dissolved and particulate organic carbon (DOC and POC) concentrations in the ice core samples increased from the Taylor Glacier to McMurdo Sound, a pattern also shown by bacterial cell density. Fluorescence Excitation Emission Matrices Spectroscopy (EEMs) and multivariate parallel factor (PARAFAC) modeling identified one humic-like (C1) and one protein-like (C2) component in ice cores whose fluorescent intensities all increased from the Polar Plateau to the coast. The fluorescence index showed that the bioavailability of dissolved organic matter (DOM) also decreased from the Polar Plateau to the coast. Partial least squares path modeling analysis revealed that bacterial abundance was the main positive biotic factor influencing both the quantity and quality of organic matter. Marine aerosol influenced the spatial distribution of DOC more than katabatic winds in the ice cores. Certain bacterial taxa showed significant correlations with DOC and POC concentrations. Collectively, our results show the tight connectivity among organic matter spatial distribution, bacterial abundance and meteorology in the McMurdo Dry Valley ecosystem.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

JGI-Trichoderma v1.0

There is a series of Python and bash scripts to parse genomics datasets used to evaluate the coevolution of gene families and the feature importance of gene families using an SVM classifier. - Cover analysis: takes a list of single-copy genes in a set of genomes, aligns and builds the gene trees to determine if two gene families have a signature of covariation with one another. It parses the files to run phykit cover script described here: https://jlsteenwyk.com/PhyKIT/usage/index.html - SVM-classifier: This Python script is an SVM-based genomic classifier designed for biological data analysis. It combines machine learning with feature selection to identify important genomic markers and classify biological samples. Core Functionality: The script uses Support Vector Machines from scikit-learn to classify genomic data, incorporating SelectKBest for automated feature selection and leave-one-out cross-validation for performance assessment. It operates in multiple modes: feature ranking, optimal combination discovery, and sample prediction. Primary Applications: Genomic sample classification and biomarker discovery Feature importance analysis in high-dimensional biological datasets Prediction of sample categories based on genomic profiles Research applications requiring robust classification of biological data Key Advantages: High-dimensional handling: SVMs excel with genomic data's typical high feature-to-sample ratios Integrated feature selection: Reduces noise and computational overhead while identifying key markers Probability estimation: Provides confidence scores essential for biological interpretation Validation robustness: Leave-one-out cross-validation ensures reliable performance metrics Operational flexibility: Multiple analysis modes support different research phases from exploration to prediction

Stecca Steindorff, Andrei [Lawrence Berkeley Natio↗
DOE OSTI2016

Investigation on porosity and permeability change of Mount Simon sandstone (Knox County, IN, USA) under geological CO 2 sequestration conditions: a numerical simulation approach

In this paper, a numerical model was developed to simulate reactive transport with porosity and permeability change of Mount Simon sandstone (samples from Knox County, IN) after 180 days of exposure to CO 2 -saturated brine under CO 2 sequestration conditions. The model predicted formation of a high-porosity zone adjacent to the surface of the sample in contact with bulk brine, and a lower porosity zone just beyond that high-porosity zone along the path from sample/bulk brine interface to sample core. The formation of the high porosity zone was attributed to dissolution of quartz and muscovite/illite, while the formation of the lower porosity zone adjacent to the aforementioned high porosity zone was attributed to precipitation of kaolinite and feldspar. The model predicted a 40% permeability increase for the Knox sandstone sample after 180 days of exposure to CO 2 -saturated brine, which was consistent with laboratory-measured permeability results. Model-predicted solution chemistry results were also found to be consistent with laboratory-measured solution chemistry data. Finally, initial porosity, initial feldspar content and the exponent n value (determined by pore structure and tortuosity) used in permeability calculations were three important factors affecting permeability evolution of sandstone samples under CO 2 sequestration conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

BASS. XXV. DR2 Broad-line-based Black Hole Mass Estimates and Biases from Obscuration

We present measurements of broad emission lines and virial estimates of supermassive black hole masses (M BH ) for a large sample of ultrahard X-ray-selected active galactic nuclei (AGNs) as part of the second data release of the BAT AGN Spectroscopic Survey (BASS/DR2). Our catalog includes M BH estimates for a total of 689 AGNs, determined from the Hα, Hβ, Mg II λ2798, and/or C IV λ1549 broad emission lines. The core sample includes a total of 512 AGNs drawn from the 70 month Swift/BAT all-sky catalog. We also provide measurements for 177 additional AGNs that are drawn from deeper Swift/BAT survey data. We study the links between M BH estimates and line-of-sight obscuration measured from X-ray spectral analysis. We find that broad Hα emission lines in obscured AGNs ($\mathrm{log}({N}_{{\rm{H}}}/{\mathrm{cm}}^{-2})\gt 22.0$) are on average a factor of ${8.0}_{-2.4}^{+4.1}$ weaker relative to ultrahard X-ray emission and about ${35}_{-12}^{\,+7}$% narrower than those in unobscured sources (i.e., $\mathrm{log}({N}_{{\rm{H}}}/{\mathrm{cm}}^{-2})\lt 21.5$). This indicates that the innermost part of the broad-line region is preferentially absorbed. Consequently, current single-epoch M BH prescriptions result in severely underestimated (>1 dex) masses for Type 1.9 sources (AGNs with broad Hα but no broad Hβ) and/or sources with $\mathrm{log}({N}_{{\rm{H}}}/{\mathrm{cm}}^{-2})\gtrsim 22.0$. We provide simple multiplicative corrections for the observed luminosity and width of the broad Hα component (L[bHα] and FWHM[bHα]) in such sources to account for this effect and to (partially) remedy M BH estimates for Type 1.9 objects. As a key ingredient of BASS/DR2, our work provides the community with the data needed to further study powerful AGNs in the low-redshift universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Project Task Statement 2 to Umbrella Cooperative Research and Development Agreement between National Energy Technology Laboratory and Ramaco Carbon [Abstract]

NETL and Ramaco will collaborate to characterize domestic coal, beneficiated coal, and coal byproducts to evaluate these materials for rare earth element (REE) content and ease of extraction. Ramaco will provide samples of coal, beneficiated coal, and coal byproducts to NETL, as well as provide research expertise on coal extraction and processing. NETL will characterize these feedstocks using the chemical/physical methods being utilized in its research laboratories. The objectives of this project are: identify promising coal-related REE reserves by testing and analysis of core samples from coal bearing formations; provide insights and expertise into opportunities for the extraction of REEs and other value-added products from domestic coal; and collect data that will be used to create quantitative modeling tools for predicting the likelihood of successful prospecting for REEs in coal, beneficiated and processed coal, and related geologic formation.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2016

A comparative experimental study of IOR potential in fractured shale reservoirs by cyclic water and nitrogen gas injection

Oil production from tight and shale formations accounted for more than half of total U.S. oil production in 2015 (EIA, 2016). Such amount is expected to grow significantly as the active development of low permeability reservoirs continues. Since the primary recovery is becoming less effective and large amounts of oil are locked in matrix, IOR techniques should be considered to face such challenge. Many recent studies have evaluated the potential of gas injection in shale plays. However, few studies discussed the feasibility of water huff-n-puff process. Here this study evaluated the potential of cyclic water injection (CWI) in shale plugs and compared it with the performance of cyclic gas injection (CGI). Eagle Ford core samples were used in this study and saturated with dead shale oil. X-ray diffraction (XRD) technique was employed to analyze the mineral composition of the sample. To reduce clay swelling, 5 wt% of potassium chloride (KCl) solution was used as the injection fluid in CWI tests. Two groups of experiments were performed to examine the effects of soaking time and injection pressure (Pin) on the recovery performance. For one cycle of huff-n-puff, after reaching the Pin, the core plug was soaked with water for a certain time, then the surrounding pressure was released to enter the production period. Under the same operating conditions, CGI tests were conducted to compare the two IOR performances. The CWI experimental results show that soaking time affects the recovery factor (RF) of a single cycle within a certain range, which was similarly concluded from the CGI tests. Injection pressure can affect the recovery performance of CWI significantly. For example, after performing 12 cycles of water huff-n-puff, the RF for tests with Pin of 1000 psi and 5000 psi were 14% and 21%, respectively. When applying 5000 psi, fractures were created on the plug and the size enlarged with further cycles operated. Comparing the two processes of CWI and CGI, different recovery characters can be observed. CWI showed the recovery potential at the first four cycles, and then the incremental oil recovery decreased dramatically in the subsequent cycles. By contrast, CGI presented a more continuous and steady recovery performance with high incremental RF, and then gradually diminished after seven cycles of huff-n-puff processes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Robust Solar Receivers Using MAX Phase Materials

This work was supported by the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy under the Solar Energy Technologies Office Award Number 35928. The objective of the proposed effort was to develop and optimize additive manufacturing technologies for low-cost fabrication of high-temperature receivers using MAX phase-based materials (Ti 3 SiC 2 and Ti 3 AlC 2 ). MAX phase materials are a group of ternary metal carbides and nitrides where M stands for an early transition metal element, A is a group 13–16 element, and X is C and/or N. In Phase 1, the binder jetting additive manufacturing process was used to synthesize and characterize the Ti 3 SiC 2 MAX phase material. The typical process involved first producing a TiC preform using binder jetting followed by infiltration of the preform with silicon melt to form Ti 3 SiC 2 in situ. The reaction-infiltrated samples showed formation of MAX phase in the sample core; however, the surface showed cracking. Various process conditions—cooling rates, hold times, Si proportion, etc.—were varied to minimize the surface cracking. The fabricated MAX phase core was characterized by microstructure analysis and evaluations of mechanical properties such as hardness and thermal shock. In Phase 2, the focus included fabrication of Ti 3 SiC 2 MAX phase materials by spark plasma sintering (SPS) and synthesis of Ti 3 AlC 2 MAX phase materials by the Al melt infiltration process. It is expected that Al infiltration will not cause sample cracking, since Al does not expand during solidification. In addition, other processing approaches were investigated to fabricate the MAX phase materials, such as SPS with a graphite bedding approach for producing short-length Ti 3 AlC 2 MAX phase tubes for demonstration of prototypical Concentrating Solar Power receiver tubes. Fabricated samples underwent thermo-mechanical testing to validate the materials for the solar receiver application at temperatures >1000°C. In Phase 3, the effort focused on the development and optimization of the Ti-Al-C MAX phase composite material using the Al melt infiltration approach. We started with optimization of precursor powders and making preform structures by either pressing them in a die or using the binder jetting additive manufacturing process followed by Al melt infiltration. In addition, we investigated the formation of preform structures by cold isostatic pressing followed by Al melt infiltration for making Ti-Al-C MAX phase composite. Thermo-mechanical characterizations, such as creep, strength, and thermal shock, were conducted to establish the structures’ performance.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Hawaii Play Fairway: Preliminary Core Box Photos, Lanai Island, Hawaii

Photos of core samples from Lanai Island. During the third phase of the Hawaii Play Fairway project, further exploration involved drilling a groundwater well in Lanai's Palawai Basin and performing more geophysical surveys. The project deepened an existing water well on Lanai. Drilling occurred 24/7 the entire month of June 2019 over which time Lanai Well 10 was deepened from 427 m to 1057 m, with continuous core collected. The roughly linear temperature gradient was an average of 42 degC/km, and a maximum bottom hole temperature, 66 degC. This gradient is more than twice the background for Hawaii and within a range of gradients measured in this depth range for some exploration wells within KERZ. The Hawaii Play Fairway project seeks to explore the geologic structures that exist in the caldera region of Hawaiian volcanoes; how those structures influence groundwater storage and flow; and how the magmatic heat from Hawaiian shield volcanoes cools over time. The Hawaii Groundwater and Geothermal Resources Center (Hawaii Institute of Geophysics and Planetology, University of Hawaii at Manoa) executed the Hawaii Play Fairway project. For more information, go to HGGRC's website that is linked in the resources.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Mineralogical, magnetic and geochemical data constrain the pathways and extent of weathering of mineralized sedimentary rocks

The oxidative weathering of sulfidic rock can profoundly impact watersheds through the resulting export of acidity and metals. Weathering leaves a record of mineral transformation, particularly involving minor redox-sensitive phases, that can inform the development of conceptual and quantitative models. In sulfidic sedimentary rocks, however, variations in depositional history, diagenesis and mineralization can change or overprint the distributions of these trace minerals, complicating the interpretation of weathering signatures. Here we show that a combination of bulk mineralogical and geochemical techniques, micrometer-resolution X-ray fluorescence microprobe analysis and rock magnetic measurements, applied to drill core samples and single weathered fractures, can provide data that enable the development of a geochemically consistent weathering model. This work focused on one watershed in the Upper Colorado River Basin sitting within the Mesaverde Formation, a sedimentary sandstone bedrock with disseminated sulfide minerals, including pyrite and sphalerite, that were introduced during diagenesis and subsequent magmatic-hydrothermal mineralization. Combined analytical methods revealed the pathways of iron (Fe), carbonate and silicate mineral weathering and showed how pH controls element retention or release from the actively weathering fractured sandstone. Drill core logging, whole rock X-ray diffraction, and geochemical measurements document the progression from unweathered rock at depth to weathered rock at the surface. X-ray microprobe analyses of a 1-cm size weathering profile along a fracture surface are consistent with the mobilization of Fe(II) and Fe(III) into acidic pore water from the dissolution of primary pyrite, Fe-sphalerite, chlorite, and minor siderite and pyrrhotite. These reactions are followed by the precipitation of secondary minerals such as of goethite and jarosite, a Fe-(oxyhydr)oxide and hydrous Fe(III) sulfate, respectively. Microscale analyses also helped explain the weathering reactions responsible for the mineralogical transformations observed in the top and most weathered section of the drill core. For example, dissolution of feldspar and chlorite neutralizes the acidity generated by Fe and sulfide mineral oxidation, oversaturating the solution in both Fe-oxides. The combination of X-ray spectromicroscopy and magnetic measurements show that the Fe(III) product is goethite, mainly present either as a coating on fracture surfaces in the actively weathering region of the core or more homogeneously contained within the unconsolidated regolith at the top of the core. Low-temperature magnetic data reveal the presence of ferromagnetic Fe-sulfide pyrrhotite that, although it occurs at trace concentrations, could provide a qualitative proxy for unweathered sulfide minerals because the loss of pyrrhotite is associated with the onset of oxidative weathering. Pyrrhotite loss and goethite formation are detectable through room-temperature magnetic coercivity changes, suggesting that rock magnetic measurements can determine weathering intensity in rock samples at many scales. In conclusion, this work contributes evidence that the weathering of sulfidic sedimentary rocks follows a geochemical pattern in which the abundance of sulfide minerals controls the generation of acidity and dissolved elements, and the pH-dependent mobility of these elements controls their export to the ground- and surface-water.

58 GEOSCIENCES↗
DOE OSTI2018

No 182 W excess in the Ontong Java Plateau source

We report that small-scale W isotope variations in ancient and modern terrestrial rocks provide insights into Earth's accretion and early differentiation history as well as the long-term evolution of the Earth's mantle. Tungsten isotope studies on such rocks have exploited advances in mass spectrometry, both NTIMS and MC-ICPMS, which now permit the determination of W isotope ratios at unprecedented precision. While W isotope studies performed in different labs by MC-ICPMS and NTIMS generally exhibit excellent agreement, obtaining accurate W isotope data at this level of precision remains analytically challenging. For example, a recent NTIMS study reported a relatively large, +24 ppm excess in 182 W/ 184 W for a Phanerozoic sample from the Ontong Java Plateau (OJP), but no such 182 W/ 184 W anomaly was found in another study by MC-ICPMS. The present study aims to resolve the discrepancy between these two previous studies, and more generally to evaluate the agreement between different recent W isotope studies by NTIMS and MC-ICPMS. To this end, we report new W isotope data for OJP drill core samples obtained by MC-ICPMS. Additionally, the OJP samples analyzed here exhibit no resolvable 182 W/ 184 W excess relative to the standards and most terrestrial rocks. Moreover, the OJP samples as well as the terrestrial rock standards analyzed here exhibit small but variable W isotope variations for ratios involving 183 W, producing coupled variations in both ‘radiogenic’ (i.e., 182 W/ 183 W) and ‘non-radiogenic’ (i.e., 183 W/ 184 W) ratios. These W isotope variations are analytical in origin, induced during sample preparation, and very likely caused by a nuclear field shift isotope fractionation affecting primarily the odd isotope ( 183 W). The recently reported 182 W excess for an OJP sample may result from this nuclear field shift effect, as the NTIMS analyses had to rely on a double normalization involving the 183 W/ 184 W ratio. More generally, these results demonstrate that using 183 W data from any MC-ICPMS or NTIMS study requires a careful quantification of any potential analytical 183 W effect. Nevertheless, once such effects are taken into account, then both 182 W/ 184 W and 183 W/ 184 W can accurately be determined to a very high level of precision.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Field-scale estimation of soil properties from spectral induced polarization tomography

Estimates of soil properties such as Cation Exchange Capacity (CEC), water content, grain size characteristics, and permeability are important in geotechnical engineering, water resources, and agriculture. We develop a non-intrusive approach to estimate these properties in the field using spectral induced polarization (SIP) tomography. This geophysical method provides information about the frequency dependence of the complex electrical conductivity of porous media. Using 18 soil samples collected from a Bordeaux vineyard, we first conducted a laboratory study using SIP over the frequency range 10 mHz-45 kHz. The laboratory data were used to confirm the accuracy of a recently developed dynamic Stern layer petrophysical model. The results are consistent with published values from previous works using soils. A comparison was made by comparing the field complex conductivity spectra and the experimental data at two locations where core samples were obtained. The model was then used in concert with field data to image the spatial distribution of CEC, water content, permeability, and mean grain size along a vineyard transect. For clay and sandy textures found in the field, measured and estimated CEC agree rather well (from 6 to 40% discrepancy). Furthermore, our approach provides an efficient way to estimate important soil properties in a non-invasive manner, in high resolution, and over field-relevant scales of the critical zone of the Earth.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

NIST: Soil Respiration, Moisture, Temperature, Chemistry; and Fine Root Measurements from a Transect Through a Forest Edge, Gaithersburg, Maryland, 2017-2021

This dataset contains soil respiration, moisture, temperature, and chemistry, as well as fine root measurements from the National Institute of Standards and Technology (NIST) Forested Optical Reference for Evaluating Sensor Technology (FOREST) research facility at Gaithersburg, Maryland. Measurements were taken at an existing transect array that begins in a grassy meadow, crosses a sharp forest edge, then a small stream, and finally extends upwards in the interior of the forest at the top of a ridge. There are 6 different landscape positions replicated across three transects in the array. Soil respiration was measured during growing seasons in 2017-2019 (2017-06-02 to 2020-02-27). Pedons (1 m3) were isolated from surrounding tree roots using trenching and a fabric to inhibit root ingrowth. Flux measurements inside the pedons were thus assumed to represent heterotrophic only respiration in 2019, and these fluxes were paired with nearby fluxes assumed to represent total respiration. Deep vertical probes measured volumetric moisture content and temperature at the same points in the array every 10 cm in depth to either 90 cm or 120 cm total depth, at 15 minute intervals, from 2019-2021 (2019-07-09 to 2021-09-10). Soil core samples were collected from each of the array points for three different months in early- to mid-2019 (2019-03-19 to 2019-07-10), at three depths each. Soils were analyzed for gravimetric moisture content; pH; total carbon, nitrogen, and phosphorus; texture; microbial biomass carbon, nitrogen, and phosphorus; extractable dissolved organic carbon, nitrogen, and phosphorus; extractable nitrate and ammonia; and extracellular hydrolytic enzyme activities. The fine roots were separated from the cores and segregated by plant functional type (grass or tree species) and if they were dead or alive. Fine roots were then measured for length, surface area, diameter, and dry mass. This dataset contains four data files in comma separated (*.csv) format. These data serve to deepen our understanding of root and soil processes at forest edges and in transitional zones.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Large two-photon cross sections and low-threshold multiphoton lasing of CdS/CdSe/CdS quantum shells

Colloidal quantum shells are spherical semiconductor quantum wells, which have shown strong promise as optical materials, particularly in classes of experiments requiring multiple excitons. The two-photon properties of CdS/CdSe/CdS quantum shell samples are studied here to demonstrate large non-linear absorption cross-sections while retaining advantageous multiexciton physics conferred by the geometrical structure. The quantum shells have large two-phonon cross sections (0.4–7.9 × 10 6 GM), which highlights their potential use in upconversion imaging in which large per particle two-photon absorption is critical. Time-resolved measurements confirmed that the quantum shells have long biexciton lifetime (>10 ns in the largest core samples reported here) and large gain bandwidth (>300 meV). The combination of these attributes with large two-photon cross sections makes the CdS/CdSe/CdS quantum shells excellent gain media for two-photon excitation. With a broad gain bandwidth and long gain lifetime, quantum shell solids support multimodal amplified spontaneous emission from excitons, biexcitons, and higher excited states. In conclusion, thresholds for amplified spontaneous emission and lasing, which are as low as 1 mJ cm −2 , are comparable to, or lower than, the thresholds reported for other colloidal materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Characterization of Ceramic Material Produced From a Cold Crucible Induction Melter Test

This report summarizes the results from characterization of samples from a melt processed surrogate ceramic waste form. Completed in October of 2014, the first scaled proof of principle cold crucible induction melter (CCIM) test was conducted to process a Fe-hollandite-rich titanate ceramic for treatment of high level nuclear waste. X-ray diffraction, electron microscopy, inductively coupled plasma-atomic emission spectroscopy (and inductively coupled plasma-mass spectroscopy for Cs), and product consistency tests were used to characterize the CCIM material produced. Core samples at various radial locations from the center of the CCIM were taken. These samples were also sectioned and analyzed vertically. Together, the various samples were intended to provide an indication of the homogeneity throughout the CCIM with respect to phase assemblage, chemical composition, and chemical durability. Characterization analyses confirmed that a crystalline ceramic with desirable phase assemblage was produced from a melt using a CCIM. Hollandite and zirconolite were identified in addition to possible highly-substituted pyrochlore and perovskite. Minor phases rich in Fe, Al, or Cs were also identified. Remarkably only minor differences were observed vertically or radially in the CCIM material with respect to chemical composition, phase assemblage, and durability. This recent CCIM test and the resulting characterization in conjunction with demonstrated compositional improvements support continuation of CCIM testing with an improved feed composition and improved melter system.

36 MATERIALS SCIENCE↗