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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Using a Customized Portable Deepwater Portable Electrofisher to Assess Larval Lamprey Populations in Irrigation Canals

Larval lamprey densities were quantified at two large-scale water diversions facilities located on the Yakima River near the city of Yakima, Washington. Water diversions are very common in the Yakima River Basin and provide water to irrigate a diverse range of valuable cropland. Out-migrating larval Pacific Lamprey are vulnerable to entrainment through fish protection screens during the withdrawal period and desiccation or predation during dewatering at the end of the season. In order to determine the impact to lamprey populations which inhabit these regions a portable deepwater electroshocking system was utilized to determine lamprey densities which could otherwise not be determined due to water depth. Surveys were conducted in the fall during the dewatering period in 2015 and 2017 and larval lamprey densities ranged from 0.8 to 8.8 fish m-2 at the Sunnyside Diversion Facility to 4.2 to 6.5 fish m-2 at the Wapato Diversion Facility. The estimates for the total lamprey numbers at each of the region using a portable deepwater electrofishing platform (PDEP) was very similar to those estimates using backpack electrofishing post-dewatering; the PDEP method was 12- 36% higher where comparisons were available. During 2017, the estimated lamprey entrainment at the Sunnyside Diversion increased by 484% from August to November. Lamprey lengths were also determined and ranged from 50 to 130 mm. Our results indicate that the use of the deepwater shocking system was very safe and effective at determining larval lamprey densities at hard to sample regions which are present near irrigation facilities.

larval lamprey, electrofishing, water diversion↗
DOE OSTI2021

Recent seismicity at Ceboruco Volcano (Mexico)

Magma and related hydrothermal fluid movement, and their interaction with solid rock, in active volcanic regions, generate a wide variety of seismic waves whose characterization can mitigate the risk of a potential eruption. Located in the western region of the Trans-Mexican Volcanic Belt, Ceboruco Volcano, whose last eruptive period was 1870–1875, is considered to be one of the most hazardous volcanoes in Mexico. We have conducted a detailed study of the seismicity in the surroundings of Ceboruco's volcanic edifice to assess the current state of this volcano. A dense temporary seismic network with 25 seismic stations in an area of 16 km × 16 km was deployed between November 2016 and July 2017, as part of the P-24 project of the CeMIEGeo consortium; this effort has allowed the detection of 81 earthquakes concentrated beneath the crater with depths between 4 and 8 km. In this study, we observe that the recorded seismicity occurs in swarms, and we specifically identify four sequences that we characterize in detail via the first focal mechanisms available for this volcano. Our results suggest a change in the local seismicity distribution compared to earlier observations, which reported seismic activity near the volcano edifice associated with fluid migration along zones of weakness related to the extensional stresses of the Tepic-Zacoalco rift. The changes in seismic patterns and obtained focal mechanisms are consistent with observed fluid effects at many geothermal sites worldwide, but also could suggest resumption of activity at this currently dormant volcano.

58 GEOSCIENCES↗
NASA NTRS2012

Microwave Extraction of Volatiles for Mars Science and ISRU

The greatest advantage of microwave heating for volatiles extraction is that excavation can be greatly reduced. Surface support operations would be simple consisting of rovers with drilling capability for insertion of microwaves down bore holes to heat at desired depths. The rovers would also provide support to scientific instruments for volatiles analysis and for volatiles collection and storage. The process has the potential for a much lower mass and a less complex system than other in-situ processes. Microwave energy penetrates the surface heating within with subsequent sublimation of water or decomposition of volatile containing minerals. On Mars the volatiles should migrate to the surface to be captured with a cold trap. The water extraction and transport process coupled with atmospheric CO2 collection could readily lead to a propellant production process, H2O + CO2 yields CH4 + O2.

Ethridge, Edwin C.↗
DOE OSTI2025

Tailoring the Physicochemical Properties of Nb Thin Films via Surface Engineering Methods

The modification of surface oxide layers formed on niobium (Nb) thin films via chemical mechanical planarization (CMP) and accelerated neutral atom beam (ANAB) processing provides a promising route toward tailoring their emergent properties and performance when used as superconducting qubits. Here, in this study, we show that CMP- and ANAB-formed Nb oxides are significantly thinner and smoother than the native oxide, as revealed by transmission electron microscopy (TEM) and atomic force microscopy. Scanning TEM and energy-dispersive X-ray spectroscopy along with X-ray photoelectron spectroscopy identified an oxidation gradient within the native and surface-engineered oxides. The topside layer is dominated by Nb 5+ (Nb 2 O 5 ), with various Nb suboxides present closer to the oxide/metal interface. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) depth profiling confirmed the presence of an oxygen content gradient and demonstrated the enhanced resistance of the CMP- and ANAB-formed oxides to oxygen surface exchange and subsequent diffusion via 18 O 2 isotopic labeling experiments. ToF-SIMS also identified an interfacial layer containing trapped hydrogen (H)-containing species at the Nb oxide/metal interface. In situ ToF-SIMS and TEM revealed migration of the H/OH interfacial layer coinciding with decomposition of the surface oxide. Furthermore, our density functional theory calculations indicated that both H from moisture present in ambient air and bulk H in Nb films tend to segregate at the interface. These findings underscore the importance of understanding surface oxidation mechanisms, hydrogen incorporation, and their impact on the designed functionalities of Nb-based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2019

CY2018 Annual Closure Monitoring Report for Corrective Action Unit 98, Frenchman Flat, Underground Test Area, Nevada National Security Site, Nevada (January 2018–December 2018, Revision 1)

Corrective Action Unit (CAU) 98: Frenchman Flat on the Nevada National Security Site was the location of 10 underground nuclear tests. CAU 98 underwent a series of investigations and actions in accordance with the Federal Facility Agreement and Consent Order to assess contamination of groundwater by radionuclides from the tests. A Closure Report completed that process in 2016 and called for long-term monitoring, use restrictions (URs), and institutional controls to protect the public and environment from potential exposure to contaminated groundwater. Three types of monitoring are performed for CAU 98: water quality, water level, and institutional control. These are monitored to determine whether the URs remain protective of human health and the environment, and to ensure that the regulatory boundary objectives are being met. Monitoring data will be used in the future, once multiple years of data are available, to evaluate consistency with the groundwater flow and contaminant transport models because the contaminant boundaries calculated with the models are the primary basis of the UR boundaries. Six wells were sampled for water-quality monitoring in 2018. Contaminants of concern were detected only in the two source/plume wells already known to contain contamination as a result of a radionuclide migration experiment. Tritium concentrations in both of these wells, RNM-2S and UE-5n, remain above the Safe Drinking Water Act maximum contaminant level of 20,000 picocuries per liter but declined in 2018 as compared to measurements in 2017. All other contaminants of concern are below the minimum detection level plus analytical error. The water-level monitoring network includes 16 wells. Depth to water measured in 2018 is generally consistent with recent measurements for all wells. Many wells continue to exhibit a long-term downward trend in water level, despite small increases in measured water levels in 2018. The sharp 2016 decline in water level in Well ER-5-3-2 remains unexplained, with the lower level persisting through 2018. Rising water-level trends continue to be observed in two relatively deep wells (ER-5-3 deep piezometer and ER-5-4-2), and also in former supply Well WW-5A. The current supply wells exhibit relatively erratic water levels associated with pumping activities. Institutional control monitoring confirmed the URs are recorded in U.S. Department of Energy and U.S. Air Force land management systems, and that no activities within Frenchman Flat basin are occurring that could potentially affect the contaminant boundaries. Survey of groundwater resources in basins surrounding Frenchman Flat similarly identify no current or pending development that would indicate the need to increase monitoring activities or would otherwise cause concern for the closure decision. The URs continue to prevent exposure of the public, workers, and the environment to contaminants of concern by preventing use of potentially contaminated groundwater.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

CY2019 Annual Closure Monitoring Report for Corrective Action Unit 98, Frenchman Flat, Underground Test Area, Nevada National Security Site, Nevada (January 2019–December 2019), Revision 1

Three types of monitoring are performed for CAU 98: water quality, water level, and institutional control. These are monitored to determine whether the URs remain protective of human health and the environment, and to ensure that the regulatory boundary objectives are being met. Monitoring data will be used in the future, once multiple years of data are available, to evaluate consistency with the groundwater flow and contaminant transport models because the contaminant boundaries calculated with the models are the primary basis of the UR boundaries. Six wells were sampled for water-quality monitoring in 2019. Contaminants of concern were detected only in the two source/plume wells already known to contain contamination as a result of a radionuclide migration experiment. Tritium concentrations in both of these wells, RNM-2S and UE-5n, remain above the Safe Drinking Water Act maximum contaminant level of 20,000 picocuries per liter but declined in 2019 as compared to measurements in 2018. All other contaminants of concern are below the minimum detection level plus analytical error. The water-level monitoring network includes 16 wells. Depth to water measured in 2019 is generally consistent with recent measurements for all wells. Many wells continue to exhibit a long-term downward trend in water level, though changes from 2018 to 2019 are minimal. The sharp 2016 decline in water level in Well ER-5-3-2 remains unexplained, with the lower level persisting through 2019. Rising water-level trends continue to be observed in Well ER-5-3 deep piezometer and former water supply Well WW-5A. Water supply Well WW-5B experienced a rise in water level as a result of an absence of pumping in the first part of the year (due to a mechanical problem), whereas water levels declined in WW-4 and WW-4A in response to greater pumping in 2019. Institutional control monitoring confirmed the URs are recorded in U.S. Department of Energy and U.S. Air Force land management systems, and that no activities within Frenchman Flat basin are occurring that could potentially affect the contaminant boundaries. Survey of groundwater resources in basins surrounding Frenchman Flat similarly identify no current or pending development that would indicate the need to increase monitoring activities or would otherwise cause concern for the closure decision. The URs continue to prevent exposure of the public, workers, and the environment to contaminants of concern by preventing use of potentially contaminated groundwater.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Annual Closure Monitoring Report for Corrective Action Unit 98, Frenchman Flat, Underground Test Area, Nevada National Security Site, Nevada: (CY2017 January 2017–December 2017, Rev. 0)

Corrective Action Unit (CAU) 98: Frenchman Flat on the Nevada National Security Site was the location of 10 underground nuclear tests. CAU 98 underwent a series of investigations and actions in accordance with the Federal Facility Agreement and Consent Order to assess contamination of groundwater by radionuclides from the tests. A Closure Report completed that process in 2016 and called for long-term monitoring, use restrictions (URs), and institutional controls to protect the public and environment from potential exposure to contaminated groundwater. Three types of monitoring are performed for CAU 98: water quality, water level, and institutional control. These are monitored to determine whether the URs remain protective of human health and the environment, and to ensure that the regulatory boundary objectives are being met. Monitoring data will be used in the future, once multiple years of data are available, to evaluate consistency with the groundwater flow and contaminant transport models because the contaminant boundaries calculated with the models are the primary basis of the UR boundaries. Six wells were sampled for water-quality monitoring in 2017. Contaminants of concern were detected only in the two source/plume wells already known to contain contamination as a result of a radionuclide migration experiment. The 86,000-picocuries-per-liter (pCi/L) tritium concentration in one of the wells is about 12 percent higher than measured in 2016 but is over an order of magnitude less than the peak value measured in the well in 1980. The concentration in the other source/plume well is lower than measured in 2016. The water-level monitoring network includes 16 wells. Depth to water measured in 2017 is generally consistent with recent measurements for most wells. Water-level declines differing from long-term trends were observed in four wells. Three of these (WW-4, WW-4A, and WW-5B) are water-supply wells that experienced increases in pumping during the year. No definitive cause for the sharp decline in the fourth well (ER-5-3-2) in 2016 is known as yet. Institutional control monitoring confirmed the URs are recorded in U.S. Department of Energy and U.S. Air Force land management systems, and that no activities within Frenchman Flat basin are occurring that could potentially affect the contaminant boundaries. Survey of groundwater resources in basins surrounding Frenchman Flat similarly identify no current or pending development that would indicate the need to increase monitoring activities or would otherwise cause concern for the closure decision. The URs continue to prevent exposure of the public, workers, and the environment to contaminants of concern by preventing use of potentially contaminated groundwater.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

ECRAM Materials, Devices, Circuits and Architectures: A Perspective

Abstract Non‐von‐Neumann computing using neuromorphic systems based on two‐terminal resistive nonvolatile memory elements has emerged as a promising approach, but its full potential has not been realized due to the lack of materials and devices with the appropriate attributes. Unlike memristors, which require large write currents to drive phase transformations or filament growth, electrochemical random access memory (ECRAM) decouples the “write” and “read” operations using a “gate” electrode to tune the conductance state through charge‐transfer reactions, and every electron transferred through the external circuit in ECRAM corresponds to the migration of ≈1 ion used to store analogue information. Like static dopants in traditional semiconductors, electrochemically inserted ions modulate the conductivity by locally perturbing a host's electronic structure; however, ECRAM does so in a dynamic and reversible manner. The resulting change in conductance can span orders of magnitude, from gradual increments needed for analog elements, to large, abrupt changes for dynamically reconfigurable adaptive architectures. In this in‐depth perspective, the history of ECRAM, the recent progress in devices spanning organic, inorganic, and 2D materials, circuits, architectures, the rich portfolio of challenging, fundamental questions, and how ECRAM can be harnessed to realize a new paradigm for low‐power neuromorphic computing are discussed.

Talin, A. Alec↗
DOE OSTI2024

Stabilized Oxygen Vacancy Chemistry toward High-Performance Layered Oxide Cathodes for Sodium-Ion Batteries

Anionic redox has emerged as a transformative paradigm for high-energy layered transition-metal (TM) oxide cathodes, but it is usually accompanied by the formation of anionic redox-mediated oxygen vacancies (OVs) due to irreversible oxygen release. Additionally, external factor-induced OVs (defined as intrinsic OVs) also play a pivotal role in the physicochemical properties of layered TM oxides. However, an in-depth understanding of the interplay between intrinsic and anionic redox-mediated OVs and the corresponding regulation mechanism of the dynamic evolution of OVs is still missing. Herein, we disclose the strong interrelationship between these OVs and demonstrate that the presence of intrinsic OVs in the TMO2 layers could induce weak integrity of the TM-O frameworks and unlock additional diffusion paths to trigger the generation and migration of anionic redox-mediated OVs. Accordingly, an OV stabilization strategy is proposed by deliberately introducing high-valence Nb5+, which could serve as an important building block in anchoring the oxygen sublattice and preventing the formation of a percolating OV migration network, thereby suppressing the formation/diffusion of anionic redox-mediated OVs. Consequently, superb structural integrity and improved electrochemical performance with reversible anionic redox chemistry are achieved. This work advances our understanding of the role of OVs for developing high-performance energy storage systems utilizing anionic redox.

anionic redox↗
NASA NTRS1999

Bursting Bubbles from Combustion of Thermoplastic Materials in Microgravity

Many thermoplastic materials in common use for a wide range of applications, including spacecraft, develop bubbles internally as they burn due to chemical reactions taking place within the bulk. These bubbles grow and migrate until they burst at the surface, forceably ejecting volatile gases and, occasionally, molten fuel. In experiments in normal gravity, Kashiwagi and Ohlemiller observed vapor jets extending a few centimeters from the surface of a radiatively heated polymethylmethacrylate (PMMA) sample, with some molten material ejected into the gas phase. These physical phenomena complicated the combustion process considerably. In addition to the non-steady release of volatiles, the depth of the surface layer affected by oxygen was increased, attributed to the roughening of the surface by bursting events. The ejection of burning droplets in random directions presents a potential fire hazard unique to microgravity. In microgravity combustion experiments on nylon Velcro fasteners and on polyethylene wire insulation, the presence of bursting fuel vapor bubbles was associated with the ejection of small particles of molten fuel as well as pulsations of the flame. For the nylon fasteners, particle velocities were higher than 30 cm/sec. The droplets burned robustly until all fuel was consumed, demonstrating the potential for the spread of fire in random directions over an extended distance. The sequence of events for a bursting bubble has been photographed by Newitt et al.. As the bubble reaches the fluid surface, the outer surface forms a dome while the internal bubble pressure maintains a depression at the inner interface. Liquid drains from the dome until it breaks into a cloud of droplets on the order of a few microns in size. The bubble gases are released rapidly, generating vortices in the quiescent surroundings and transporting the tiny droplets. The depression left by the escaping gases collapses into a central jet, which rises with a high velocity and may break up, releasing one or more relatively large drops (on the order of a millimeter in these experiments). A better understanding of bubble development and bursting processes, the effects of bursting behavior on burning rate of the bulk material, and the circumstances under which large droplets are expelled, as well as their trajectories, sizes, and burning rates, is sought through computer modeling compared with experiment.

Butler, K. B.↗
DOE OSTI2023

Biological carbon pump estimate based on multidecadal hydrographic data

The transfer of photosynthetically produced organic carbon from surface to mesopelagic waters draws carbon dioxide from the atmosphere. However, current observation-based estimates disagree on the strength of this biological carbon pump (BCP). Earth system models (ESMs) also exhibit a large spread of BCP estimates, indicating limited representations of the known carbon export pathways. Here we use several decades of hydrographic observations to produce a top-down estimate of the strength of the BCP with an inverse biogeochemical model that implicitly accounts for all known export pathways. Our estimate of total organic carbon (TOC) export at 73.4 m (model euphotic zone depth) is 15.00 ± 1.12 Pg C year –1 , with only two-thirds reaching 100 m depth owing to rapid remineralization of organic matter in the upper water column. Partitioned by sequestration time below the euphotic zone, τ, the globally integrated organic carbon production rate with τ > 3 months is 11.09 ± 1.02 Pg C year –1 , dropping to 8.25 ± 0.30 Pg C year –1 for τ > 1 year, with 81% contributed by the non-advective-diffusive vertical flux owing to sinking particles and vertically migrating zooplankton. Nevertheless, export of organic carbon by mixing and other fluid transport of dissolved matter and suspended particles remains regionally important for meeting the respiratory carbon demand. Here, the temperature dependence of the sequestration efficiency inferred from our inversion suggests that future global warming may intensify the recycling of organic matter in the upper ocean, potentially weakening the BCP.

58 GEOSCIENCES↗
DOE OSTI2019

Review of Amendment Delivery and Distribution Methods, and Relevance to Potential In Situ Source Area Treatment at the Hanford Site

The U.S. Department of Energy’s Hanford Site in southeastern Washington State is a complex of multiple facilities where historical release events in the Central Plateau area have resulted in subsurface contamination of the vadose zone, a perched-water zone, and underlying aquifer. Although some contaminants have already migrated through the vadose zone into the groundwater, contaminants remaining in the unsaturated zone are a potential long-term risk as a source for further groundwater contamination. Moreover, a perched-water zone located in the 200-DV-1 Operable Unit at Hanford creates further remediation difficulties. Remediation options are limited for contaminants located in the vadose and perched-water zones within the Central Plateau due to considerable depth, co-located contaminants, and complexities associated with physical and biogeochemical heterogeneities. Existing comprehensive reviews discuss potential remedial technologies relevant to Hanford Site conditions (e.g., deep vadose zone and perched water) and provide treatment technology recommendations. Many of the recommended in situ remediation technologies rely on introduction of amendments into the subsurface to achieve remedial goals. However, there are currently few review or guidance documents that provide a comprehensive look at mechanisms and considerations related to amendment delivery and distribution. This document summarizes amendment types, delivery techniques, subsurface access methods, and the applicability of delivery methods and amendments for specific subsurface target zones, including in the context of Hanford Central Plateau applications. Guidance on the appropriateness of a remedial technology for a specific site and contaminant is not included within this document. Rather, this document is intended to be used when considering remediation technologies and the associated amendments. An overview of amendment types (i.e., liquid, gas, and solids) and access/distribution methods used in subsurface remediation is provided, along with discussion of the maturity level (low, medium, or high), advantages, and limitations that relate to the potential effectiveness of each approach in the context of site-specific factors (subsurface geology, geochemistry, contaminant properties, etc.). There are many Hanford Site-specific factors that influence the suitability and appropriateness of amendment delivery strategies. Excluding amendment delivery approaches that are unsuitable for the Hanford context, each approach was assessed for applicability to the following target zones: unsaturated high permeability, unsaturated low permeability, perched water, saturated high permeability, and saturated low permeability zones. This compilation and discussion related to amendment delivery mechanisms provides a useful resource for evaluating remedial alternatives for source area contamination in the Hanford Central Plateau.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2022

In Situ Measurements of Surface Texture with Virtual Environments Support Science-Driven Human Surface Operations on the Moon and Beyond

Visualization tools enabling real-time scientific analysis are important for supporting future astronaut operations on the lunar surface. Such tools can be built into virtual environments to support scientific investigations, as well as situational awareness, real-time decision making, and efficient communication between astronauts and ground and support systems. Understanding how these tools can be optimized for science is essential for upcoming Artemis missions. In this contribution, we discuss how measurements of surface texture at multiple length scales can greatly enhance in situ science on/of the Moon, and eventually Mars, asteroids, and beyond. Roughness measurements at various wavelengths directly support objectives defined in the Artemis Science Plan, including (O1) “understanding planetary processes,” (O2) “understanding volatile cycles,” and (O3) “interpreting the impact history of the Earth-Moon system” . Key scientific analyses enabled by texture measurements at different length scales include: ● Sub-centimeter scales: Texture measurements can help constrain lava flow crystallinity, lava rheology, emplacement flow dynamics, and cooling histories (O1). Measurements of lacunarity (voids in fractal fill space) can shed light on eruptive volatile content, residence time of migrating volatiles, and near-surface volume available for micro-cold trapping of volatiles (O1, O2). ● Centimeter–meter scales: Texture measurements can be used for the differentiation of individual lava flows, the reconstruction of local stratigraphies and emplacement sequences, characterization of post-emplacement surface modification processes (O1, O3). Derived roughness (polarization) metrics can be used in the detection of water ice and characterization of ice properties (e.g., purity, grade, depth, abundance). ● Hectometer–Kilometer scales: Texture measurements can be used to differentiate major geologic surface units and surface structures (O1), constrain the presence of abundant ground ices (O2), and analyze surface modification and estimate surface age (O3). Real-time measurements of surface texture across these multiple length scales will enable efficient sample identification and scientific investigations by future astronauts. To support these investigations and the objective classification of surface texture, virtual environments employed by astronauts should be able to instantaneously convert raw data into processed data (e.g., digital terrain and elevation models) and derived metrics (e.g., RMS, std, Hurst, CPR) and perform statistical analyses (e.g., PCA, outliers, correlation matrices). Such tools are being developed and tested by the Resource Exploration and Science of our Cosmic Environment (RESOURCE) team, a node of NASA’s Solar System Exploration Research Virtual Institute (SSERVI), and are an excellent example of the powerful synergies of human and robotic ground assets critical in the return of humans to the Moon.

Ariel N. Deutsch↗
DOE OSTI2026

Distinct Melt Infusion Architectures of Antiperovskite Solid Electrolytes

Antiperovskite solid electrolytes are an emerging class of lithium‐ion conductors distinguished by their unusually low melting points, enabling scalable, low‐temperature processing routes not accessible to most solid electrolytes. In this work, we synthesize phase‐pure chloride (Cl), bromide (Br), and mixed halide (ClBr) variants of antiperovskites and investigate their ionic conductivities in both powder and hot‐pressed forms. Hot pressing significantly enhances conductivity across all compositions, while energy‐dispersive X‐ray spectroscopy (EDS) of the mixed halide system reveals halide surface migration during densification. We further investigate the melt‐infiltration behavior of these electrolytes into substrates relevant to solid‐state battery architectures, including Al and Cu current collectors, conventional NMC and LFP cathodes, and a foamed NMC cathode with a highly porous architecture. The foamed cathode enables deep and uniform electrolyte penetration, highlighting the role of electrode architecture in facilitating melt infiltration. Across all substrates, electrolyte halide chemistry strongly influences wetting behavior, penetration depth, and resulting microstructural morphology. Together, these results establish clear processing–structure relationships for melt‐infiltrated antiperovskite solid electrolytes and demonstrate how electrolyte chemistry and electrode architecture govern interfacial morphology during integration, providing practical guidelines for processing and structural design in solid‐state battery systems.

antiperovskite↗
DOE OSTI2020

Vertical Transport of Water/Contaminant Due to Intermittent Water Influx on the Ground Surface of Vadose Zone - 20088

For movement of moisture and transport of contaminants in the vertical direction, two equations, the Richards equation and the advection-dispersion equation, are solved in a vadose zone for prescribed water and contaminant influx conditions at the ground surface. Two different boundary conditions are considered, one with a single peak of sinusoidal variation and four peaks of finite duration, each of which is sinusoidal in shape. The moisture migration is solved and then the contaminant transport, which is coupled to moisture movement, is solved. In the case of a single influx on the ground surface, at first the hydraulic head and moisture content show a peak. Then above the peak and below the ground surface, the peaks tend to die out, showing a tendency to return to the initial state. The vertical profile of concentration also shows a single peak, which soon becomes stagnant because downward water migration is faster than concentration profile movement. In the case of four intermittent array of peaks, the hydraulic head and moisture content profiles tend to merge and combine together. The concentration profiles show appearance of four peaks clearly. However, although the peak value of concentration remains quite constant, the values may vary with the sorption coefficient because of repeated influx of water and contaminant through the top boundary, the ground surface. The penetration depth decreases with an increasing sorption coefficient. (authors)

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Impact of Concurrent Solubilization and Fines Migration on Fracture Aperture Growth in Shales during Acidized Brine Injection

Acidic hydraulic fracturing fluid chemically and physically alters shale rock fabric during injection and shut-in, creating a “reaction-altered zone” along the fracture faces. To better characterize the variable thickness and composition of this reaction-altered zone under advective flow, we take a coupled experimental and modeling approach. A fluidic cell, with six fiducial markers, is first fabricated to keep the rock sample in place during the core floods and to allow image alignment of acquired images. Then, we conduct a series of reactive core floods in a clay-rich siliceous Wolfcamp shale sample with 10 wt % carbonate, using a synthetic fracturing fluid under no confining stress and at room temperature. High-resolution computed tomography (CT) scans are periodically conducted to observe the spatial alteration of the fracture network. We then perform scanning electron microscopy (SEM-EDS) on the two orthogonal surfaces (fracture surface and freshly cut profile face) to generate high-resolution elemental maps that show the change in mineralogy, both with distance along a given flow path along a fracture surface and with depth from the fracture surface into the shale matrix. These results are contrasted against a two-dimensional (2D) advection-diffusion reaction model developed previously for batch reactions between shale and synthetic fracturing fluids. The model simulates the geochemical interaction occurring at the fracture/matrix interface and penetrating into the shale matrix during the reactive core flood. Both model and experimental results show that the acidic brine is neutralized during the core flood, corresponding to an increase in fracture aperture as a function of fluid volume injected with the greatest change near the inlet. SEM-EDS scans reveal significant dissolution of carbonates on the fracture surface without pyrite oxidation. The reactive transport model indicates that carbonate depletion into the shale interior should be observable, yet SEM-EDS shows no discernible loss of carbonate in the orthogonal profile face. The combination of these observations suggests an additional fracture evolution mechanism in the reactive system, i.e., fines migration. We show that fines migration enhances the access of fracturing fluid to the matrix resulting in a more pronounced fracture widening. Finally, we conclude that coupled mineral dissolution and fines migration govern fracture aperture growth during acidized brine injection. In this work, we effectively show the underlying risk of relying solely on models that do not include an important (transport) process that can alter the system significantly and propose a combined chemomechanical mechanism for fracture evolution appropriate for this shale mineralogy.

58 GEOSCIENCES↗
DOE OSTI2021

Migration Kinetics of Surface Ions in Oxygen-Deficient Perovskite During Topotactic Transitions

Oxygen diffusivity and surface exchange kinetics underpin the ionic, electronic, and catalytic functionalities of complex multivalent oxides. Towards understanding and controlling the kinetics of oxygen transport in emerging technologies, it is highly desirable to reveal the underlying lattice dynamics and ionic activities related to oxygen variation. In this study, the evolution of oxygen content is identified in real-time during the progress of a topotactic phase transition in La 0.7 Sr 0.3 MnO 3-δ epitaxial thin films, both at the surface and throughout the bulk. Using polarized neutron reflectometry, a quantitative depth profile of the oxygen content gradient is achieved, which, alongside atomic-resolution scanning transmission electron microscopy, uniquely reveals the formation of a novel structural phase near the surface. Surface-sensitive X-ray spectroscopies further confirm a significant change of the electronic structure accompanying the transition. The anisotropic features of this novel phase enable a distinct oxygen diffusion pathway in contrast to conventional observation of oxygen motion at moderate temperatures. The results provide insights furthering the design of solid oxygen ion conductors within the framework of topotactic phase transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Elucidating the Onset of Plasticity in Sliding Contacts Using Differential Computational Orientation Tomography

Abstract Depending on the mechanical and thermal energy introduced to a dry sliding interface, the near-surface regions of the mated bodies may undergo plastic deformation. In this work, we use large-scale molecular dynamics simulations to generate “differential computational orientation tomographs” (dCOT) and thus highlight changes to the microstructure near tribological FCC alloy surfaces, allowing us to detect subtle differences in lattice orientation and small distances in grain boundary migration. The analysis approach compares computationally generated orientation tomographs with their undeformed counterparts via a simple image analysis filter. We use our visualization method to discuss the acting microstructural mechanisms in a load- and time-resolved fashion, focusing on sliding conditions that lead to twinning, partial lattice rotation, and grain boundary-dominated processes. Extracting and laterally averaging the color saturation value of the generated tomographs allows us to produce quantitative time- and depth-resolved maps that give a good overview of the progress and severity of near-surface deformation. Corresponding maps of the lateral standard deviation in the color saturation show evidence of homogenization processes occurring in the tribologically loaded microstructure, frequently leading to the formation of a well-defined separation between deformed and undeformed regions. When integrated into a computational materials engineering framework, our approach could help optimize material design for tribological and other deformation problems. Graphic Abstract .

36 MATERIALS SCIENCE↗