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DOE OSTI2015

Radiation-Hardened Circuitry Using Mask-Programmable Analog Arrays. Final Report

As the recent accident at Fukushima Daiichi so vividly demonstrated, telerobotic technologies capable of withstanding high radiation environments need to be readily available to enable operations, repair, and recovery under severe accident scenarios where human entry is extremely dangerous or not possible. Telerobotic technologies that enable remote operation in high dose rate environments have undergone revolutionary improvement over the past few decades. However, much of this technology cannot be employed in nuclear power environments due the radiation sensitivity of the electronics and the organic insulator materials currently in use. This is the final report of the activities involving the NEET 2 project Radiation Hardened Circuitry Using Mask-Programmable Analog Arrays. We present a detailed functional block diagram of the proposed data acquisition system, the thought process leading to technical decisions, the implemented system, and the tested results from the systems. This system will be capable of monitoring at least three parameters of importance to nuclear reactor monitoring: temperature, radiation level, and pressure.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Feasibility of Adding Twitter Data to Aid Drought Depiction: Case Study in Colorado

The use of social media, such as Twitter, has changed the information landscape for citizens’ participation in crisis response and recovery activities. Given that drought progression is slow and also spatially extensive, an interesting set of questions arise, such as how the usage of Twitter by a large population may change during the development of a major drought alongside how the changing usage facilitates drought detection. For this reason, contemporary analysis of how social media data, in conjunction with meteorological records, was conducted towards improvement in the detection of drought and its progression. The research utilized machine learning techniques applied over satellite-derived drought conditions in Colorado. Three different machine learning techniques were examined: the generalized linear model, support vector machines and deep learning, each applied to test the integration of Twitter data with meteorological records as a predictor of drought development. It is found that the integration of data resources is viable given that the Twitter-based model outperformed the control run which did not include social media input. Eight of the ten models tested showed quantifiable improvements in the performance over the control run model, suggesting that the Twitter-based model was superior in predicting drought severity. Future work lies in expanding this method to depict drought in the western U.S.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Toward Intelligent Multimodal Holography for Real-Time Chemical Imaging of Dynamic Ion Separation

Molecular-level visualization of ion transport and separation dynamics in complex environments is crucial for advancing energy systems, water purification, and critical materials recovery. Achieving this requires imaging platforms that combine structural sensitivity, chemical specificity, and real-time operation. Digital off-axis holography (DOAH) provides high-throughput, label-free quantitative phase imaging but inherently lacks chemical selectivity. Integrating DOAH with complementary spectroscopic channels such as fluorescence or hyperspectral imaging introduces the needed molecular specificity, while also creating challenges in multimodal data fusion, synchronization, and computational throughput. Artificial intelligence offers a powerful route to address these limitations by uniting physics-based reconstruction with data-driven interpretation. In this Perspective, we outline a framework for intelligent multimodal holography and demonstrate its potential using a preliminary AI-driven test case. Raw DOAH holograms of lanthanide solutions subjected to magnetic field gradients were analyzed using multi-agent AI workflows that autonomously selected reconstruction tools, extracted NMF components, and generated scientific claims consistent with true paramagnetic and diamagnetic behavior. This demonstration shows how AI-enabled reasoning can deliver real-time chemical–structural interpretation directly from raw holograms. Together, these advances define a path toward adaptive, intelligent holography platforms capable of supporting in situ chemical separations, dynamic ion transport analysis, and next-generation interfacial science.

Ricchiuti, Giovanna↗

DOE OSTI2016

Preliminary Tritium Management Design Activities at ORNL

Interest in salt-cooled and salt-fueled reactors has increased over the last decade (Forsberg et al. 2016). Several private companies and universities in the United States, as well as governments in other countries, are developing salt reactor designs and/or technology. Two primary issues for the development and deployment of many salt reactor concepts are (1) the prevention of tritium generation and (2) the management of tritium to prevent release to the environment. In 2016, the US Department of Energy (DOE) initiated a research project under the Advanced Reactor Technology Program to (1) experimentally assess the feasibility of proposed methods for tritium mitigation and (2) to perform an engineering demonstration of the most promising methods. This document describes results from the first year’s efforts to define, design, and build an experimental apparatus to test potential methods for tritium management. These efforts are focused on producing a final design document as the basis for the apparatus and its scheduled completion consistent with available budget and approvals for facility use.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2017

Rare earths recovery and gypsum upgrade from Florida phosphogypsum

Phosphogypsum is a byproduct created during the production of industrial wet-process phosphoric acid. This study focused on recovering rare earth elements (REEs) from a Florida phosphogypsum sample and investigated the effects of removing detrimental impurities such as phosphorus pentoxide (P 2 O 5 ), uranium (U) and fluorine (F) during the leaching process. Experimental results indicated that REE leaching efficiency increased rapidly, reached a maximum and then began to decrease with sulfuric acid concentrations ranging from 0 to 10 percent and temperatures ranging from 20 to 70 °C. At a sulfuric acid concentration of 5 percent and leaching temperature of 50 °C, REE leaching efficiency obtained a maximum value of approximately 43 percent. Increasing the leaching time or liquid/solid ratio increased the leaching efficiency. The leaching efficiencies of P 2 O 5 , U and F consistently increased with sulfuric acid concentration, temperature, leaching time and liquid/solid ratio within the testing ranges. A fine-grain gypsum concentrate, sized smaller than 40 μm, was separated from leached phosphogypsum through elutriation, in which the P 2 O 5 , U and F content levels were reduced by 99, 70 and 83 percent, respectively, from their content levels in fresh phosphogypsum.

58 GEOSCIENCES↗

DOE OSTI2021

Dynamic spatial progression of isolated lithium during battery operations

The increasing demand for next-generation energy storage systems necessitates the development of high-performance lithium batteries. Unfortunately, current Li anodes exhibit rapid capacity decay and a short cycle life, owing to the continuous generation of solid electrolyte interface and isolated Li (i-Li). The formation of i-Li during the nonuniform dissolution of Li dendrites leads to a substantial capacity loss in lithium batteries under most testing conditions. Because i-Li loses electrical connection with the current collector, it has been considered electrochemically inactive or ‘dead’ in batteries. In this work, contradicting this commonly accepted presumption, we show that i-Li is highly responsive to battery operations, owing to its dynamic polarization to the electric field in the electrolyte. Simultaneous Li deposition and dissolution occurs on two ends of the i-Li, leading to its spatial progression toward the cathode (anode) during charge (discharge). Revealed by our simulation results, the progression rate of i-Li is mainly affected by its length, orientation and the applied current density. Moreover, we successfully demonstrate the recovery of i-Li in Cu–Li cells with >100% Coulombic efficiency and realize LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC)–Li full cells with extended cycle life.

25 ENERGY STORAGE↗

DOE OSTI2022

Comprehensive Study of the Potential of Extracting and Processing Critical Minerals from Coal-Based Resources - Phase I

The Phase I report prepared for the Department of Energy addresses U.S. Executive Order 13817 titled A Federal Strategy to Ensure Secure and Reliable Supplies of Critical Minerals, issued on December 20, 2017, that lists 35 critical minerals that are vulnerable to supply disruption. A comprehensive review of each of the minerals was conducted to determine the criticality based primarily on extractability from coal-based resources. Several other factors were also considered such as gaps in supply and demand, use in current technology, and the existence of viable substitutes. It was determined that the critical minerals that show highest potential for extraction from coal-based resources are lithium, rare earth elements (REEs), cobalt, and manganese. All four of the critical minerals listed serve an important role in the technology industry, have few substitutes, and have a heavy import reliance. Most notably are lithium, which is widely used in the electric vehicle industry, and the REEs which can be found in virtually all electronic devices. The research of critical mineral extraction from coal-based resources was completed using a combination of literature review from public sources as well as cooperation from coal mines and power plants across the United States. Samples collected from six different geographical locations across the U.S. were subjected to sample preparation (i.e., pH measurement, moisture content, particle size analysis) and characterization studies using Inductively Coupled Plasma-Mass Spectroscopy (ICP-MS) and Scanning Electron Microscopy, Energy Dispersive X-Ray Spectroscopy (SEM-EDX) instruments. 27 samples of coal waste materials such as refuse, sludge, and fly ash were tested to characterize the rare earth element concentration by total rare earth elements (TREEs), heavy rare earth elements (HREEs), and light rare earth elements (LREEs). Of the 27 samples tested, 22 contained a TREE concentration higher than the threshold of 300 ppm, which is considered a viable feedstock material. 3 samples contained less than 300 ppm of TREEs; however, they were within 20 ppm of the threshold, and could potentially be considered viable sources in the future pending the advancement of more efficient extraction technologies. 2 of the 27 samples had significantly low TREE concentrations, which does not imply any potential for being a source for REEs. For the minerals identified as most critical in the literature review, a conceptual process flow diagram (PFD) was developed for their extraction from different coal-based feedstocks. The process targets selective recovery of one commodity (i.e., rare earths, lithium, cobalt, and manganese) via several hydrometallurgical separation methods. By identifying potentially extractable coal-based critical mineral resources, a study of the current and future market environments for each critical mineral, and a review of current processing methodologies for critical mineral extraction from coal-based resources, the foundation has been laid to further characterize and explore new resources and extraction techniques. As reliance on technologies in industries such as the production of electronic devices, batteries, and alloys containing critical minerals utilizing critical minerals continues to increase, a sound understanding of our nation’s dependence on and even the global criticality of certain critical minerals, will serve as a catalyst for innovation in virtually all fields of science.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2018

A hybrid embedded discrete fracture model for simulating tight porous media with complex fracture systems

Numerical simulation considering complex fracture networks in tight oil reservoir becomes a hot issue during these years. Recently, embedded discrete fracture model (EDFM) shows great advantages over the DFM approaches in both calculation efficiency and simplicity of simulation workflow. EDFM has been widely used in tight oil/gas natural energy or enhanced oil recovery (EOR) development. If a large number of small-scale natural fractures exist in reservoir, the calculation efficiency of EDFM method may decrease. A new hybrid simulation model combining the EDFM and dual porosity (DP) model is proposed. The large-scale fractures are dealt with EDFM method while small scale fractures are dealt with DP model. Considering the low permeability of matrix, transient transfer between matrix and natural fracture is considered. The proposed hybrid model is validated compared with the local grid refinement (LGR) model and EDFM-MINC model, and the difference between transient transfer and pseudo-steady-state transfer effect on production is presented. Finally, two test cases are presented, and the sensitivity of some key parameters are investigated. Result shows that the new simulation model has higher calculation efficiency than LGR and EDFM-MINC models. Meanwhile, it honors a good accuracy. The pseudo-steady-state transfer between matrix and natural fracture leads to big error in tight oil production performance analysis both in single phase and two phases flow. Low matrix permeability and big matrix size increase the production difference between pseudo-steady-state transfer and transient transfer models. The proposed model can simulate reservoirs considering stochastic permeability distribution.

58 GEOSCIENCES↗

DOE OSTI2026

Interfacial Chemistry Involved in Selective Separation of NMC/LMO and LCO/LMO Binary Cathode Materials by Froth Flotation Using Oleic Acid

The variability in cathode compositions within recycled lithium-ion battery (LIB) feedstocks poses a significant challenge to efficient downstream refining processes. This study demonstrates the feasibility of using froth flotation with oleic acid as a collector to selectively separate lithium nickel-manganese-cobalt oxide (NMC) and lithium cobalt oxide (LCO) from lithium manganese oxide (LMO) materials. Laboratory-scale flotation tests achieved an 80% separation efficiency in a single stage, producing a froth product with >90% purity of NMC/LCO at approximately 90% yield. Concurrently, the LMO materials were enriched in the sink product with ∼90% purity and ∼90% yield. This approach was further validated using recycled cathode materials, confirming its applicability to realistic feedstocks. The underlying mechanism governing the selective separation of NMC/LCO from LMO was investigated using ζ-potential measurements, contact angle measurements, bubble-particle attachment experiments, and X-ray photoelectron spectroscopy (XPS) analysis. Both contact angle and bubble-particle attachment results confirmed that oleic acid adsorption rendered NMC and LCO surfaces hydrophobic, thereby enhancing flotation recovery. At pH 5, oleic acid adsorbed preferentially onto NMC and LCO surfaces via electrostatic interactions, while exhibiting minimal adsorption on LMO surfaces. However, separation efficiency deteriorated at higher pH, which was attributed to the co-flotation of LMO materials caused by oleate chemisorption on MnOH + species. This work establishes froth flotation as a viable cathode/cathode separation strategy, providing a low-cost, scalable pathway to preconcentrate and enrich nickel-rich and cobalt-rich cathode active materials from incompatible cathode chemistries for direct recycling or hydrometallurgical processing. Furthermore, this study reveals, for the first time, the mechanism of oleate adsorption on the surface of different cathode materials.

PH↗

DOE OSTI2020

Subtask 1.5 – CO2 Injection Monitoring with an Optimized Scalable, Automated, Semipermanent Seismic Array

The scalable, automated, semipermanent seismic array (SASSA) method is a flexible and relatively cost-effective surface geophysical method for regular time-lapse monitoring of the movement of injected carbon dioxide (CO2) in a reservoir for CO2 enhanced oil recovery (EOR) or geologic CO2 storage operations. It has the advantages of a low-environmental-footprint while monitoring regions of a reservoir from the surface without the need for a regular grid distribution of receivers. Automated data collection is possible. As only time-lapse amplitude changes at the reservoir level due to CO2 movement within the reservoir are monitored, the turnaround time to deliver results from the SASSA method can be short, without the need for long, time-consuming data-processing workflows. As data is collected and processed, incremental information can be provided to the field operator. The Energy & Environmental Research Center (EERC) conducted a SASSA field test from September 2018 to November 2020 in a portion of the Bell Creek Field in Montana, which implemented new CO2 EOR field activities during the study period. Lessons learned from a proof-of-concept study were incorporated to improve the data quality of the SASSA method and demonstrate the viability of the technology. The EERC implemented several enhancements to improve data quality, including 1) an iterative survey design, which allowed placing the receivers in strategic locations where the movement of the CO2 in the reservoir could be tracked with minimum interference by the cultural noise in the study area; 2) the use of powerful seismic sources in the form of surface orbital vibrators, and 3) data acquisition during optimal periods. History-matched reservoir simulation was performed to predict gas saturation and pressure response induced by CO2 injection in the study area. The results were compared with the SASSA-measured responses to CO2 injection as a partial validation technique. A match between the two methods was observed for most of the SASSA points predicted to have intersected a CO2 saturation change. The validated results provide confidence that the SASSA method can be used independently as a CO2 saturation monitoring technique. As data are collected and processed, incremental information can be provided to the field operator. The critical components of the SASSA workflow for a successful application of the method are the following: Iterative survey design with information about CO2 injection activities from the oilfield operator. A detailed CO2 injection plan is the key driver to select the strategic monitoring location of the SASSA sensors. After this information is incorporated in the initial distribution of sources and receivers in the study area, high-resolution satellite images are used to identify ground locations not affected by cultural noise sources, such as power lines, pipelines/flow lines, or roadways. In the next iteration of the survey design, a scouting trip to the study area is needed to understand more details of the noise sources identified in the previous step and the intensity of the field activities that can also generate noise during the monitoring. Integrating the information from the scouting trip into the survey design to select the optimum source and receiver locations is the final step. Noise attenuation. The variety of noise types during seismic monitoring of an oil field is enormous. Tailored noise characterization and processing at a node-by-node level can enhance the performance and sensitivity of the SASSA technique. Future advancements that could improve the efficiency and application of the SASSA technology include: Gaining a better understanding of the noise field produced by the seismic source to aid the choice of receiver location. Surface noise from the source can overwhelm the small signal changes due to CO2 that the SASSA method measures. Improved data-processing workflow to automatically analyze and adapt to dynamic noise conditions associated with industrial settings. This subtask was funded through the EERC–DOE Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE- FE0024233.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Large Area Near‐Field Thermophotovoltaics for Low Temperature Applications

Abstract Thermophotovoltaics, devices that convert thermal infrared photons to electricity, offer a key pathway for a variety of critical renewable energy technologies including thermal energy storage, waste heat recovery, and direct solar‐thermal power generation. However, conventional far‐field devices struggle to generate reasonable powers at lower temperatures. Near‐field thermophotovoltaics provide a pathway to substantially higher powers by leveraging photon tunneling effects. Here a large area near‐field thermophotovoltaic device is presented, created with an epitaxial co‐fabrication approach, that consists of a self‐supported 0.28 cm 2 emitter‐cell pair with a 150 nm gap. The device generates 1.22 mW at 460 °C, a 25‐fold increase over the same cell measured in a far‐field configuration. Furthermore, the near‐field device demonstrates short circuit current densities greater than the far‐field photocurrent limit at all the temperatures tested, confirming the role of photon tunneling effects in the performance enhancement. Modeling suggests several practical directions for cell improvements and further increases in power density. These results highlight the promise of near‐field thermophotovoltaics, especially for low temperature applications.

36 MATERIALS SCIENCE↗

DOE OSTI2021

High-efficiency catalytic reduction of residual oxygen for purification of carbon dioxide streams from high-pressure oxy-combustion systems

Pressurized oxy-combustion is a promising technology for carbon capture, utilization, and storage. For the captured CO 2 to be used for enhanced oil recovery or stored in geological formations, flue gas impurities, including residual O 2 in the CO 2 stream, must be purified to meet the purity specifications. A catalytic approach to reducing residual O 2 with CH 4 was investigated in this study. Five CoMn- and Cu-based catalysts were synthesized or acquired, and a reverse-flow fixed-bed reactor was used to assess their performance for O 2 removal from a simulated oxy-combustion flue gas at 15 bar. The impacts of the operating parameters on O 2 removal, such as temperature, gas hourly space velocity, O 2 /CH 4 ratio, and gas pressure, were investigated. Among the tested catalysts, the two CoMn catalysts were superior in both activity and selectivity, with the reaction lighting off at about 350 °C and achieving 99% O 2 removal at about 500 °C. Finally, the kinetics of the catalytic reaction is discussed, and the Mars–van Krevelen redox mechanism is deemed valid for describing the reaction pathway for the top-performing CoMn catalysts. The catalytic reaction was determined to be first order in CH 4 and zero order in O 2 under the test conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Evaluation of Technologies for Destruction of LDR Organics in Hanford Tank Waste

Aqueous Hanford tank wastes contain soluble organics and some tanks contain small amounts (<100 mg/L) of organics that are regulated under the Land Disposal Restrictions (LDR) portions of the Resource Conservation and Recovery Act (RCRA). Most of these organics can be removed by evaporation, but some are not. Methods to destroy/remove organics that are regulated by the LDR section of the RCRA and that are not removed by evaporation may be needed if ambient temperature waste treatment processes are used to immobilize aqueous Hanford tank wastes. To identify viable and compatible organic removal or destruction pretreatment methods an evaluation was performed by a team of researchers. The team utilized a Systems Engineering Approach that examines all aspects of the technology, based on information available in the literature and the experience of the team members. That evaluation led to recommendations by the team to perform testing on technologies to determine efficacy in destroying organics in Hanford tank waste liquids. The primary technologies recommended are chemical oxidants, including permanganate, peroxymonosulfate or peroxydisulfate (PMS/PDS), hydrogen peroxide, and ozone. Ultraviolet light irradiation of the stream with a solid catalyst sorbent is also recommended for testing. A generalized description of the test program is also included.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

All-sky Co-moving Recovery Of Nearby Young Members (ACRONYM). II. The β Pictoris Moving Group

We confirm 66 low-mass stellar and brown dwarf systems (K7–M9) plus 19 visual or spectroscopic companions of the β Pictoris moving group (BPMG). Of these, 41 are new discoveries, increasing the known low-mass members by 45%. We also add four objects to the 14 known with masses predicted to be less than 0.07 M{sub ⊙}. Our efficient photometric + kinematic selection process identified 104 low-mass candidates, which we observed with ground-based spectroscopy. We collected infrared observations of the latest spectral types (>M5) to search for low-gravity objects. These and all <M5 candidates were observed with high-resolution optical spectrographs to measure the radial velocities and youth indicators, such as lithium absorption and Hα emission, needed to confirm BPMG membership, achieving a 63% confirmation rate. We also compiled the most complete census of BPMG membership, with which we tested the efficiency and false-membership assignments using our selection and confirmation criteria. Using the new census, we assess a group age of 22 ± 6 Myr, consistent with past estimates. With the now–densely sampled lithium depletion boundary, we resolve the broadening of the boundary by either an age spread or astrophysical influences on lithium-burning rates. We find that 69% of the now-known members with AFGKM primaries are M stars, nearing the expected value of 75%. However, the new initial mass function for the BPMG shows a deficit of 0.2–0.3 M{sub ⊙} stars by a factor of ∼2. We expect that the AFGK census of the BPMG is also incomplete, probably due to biases of searches toward the nearest stars.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

A Study of Wake Characteristics of Marine Turbine Arrays: Preprint

As the marine energy industry continues to develop and installations grow from single turbines to small arrays and larger farms, understanding and predicting wake behavior using modeling tools is necessary for array design and optimization. The wake characteristics of upstream turbines, including velocity deficit, wake swirling, tip vortices, wake shape and direction, and flow recovery, influence the inflow conditions experienced by downstream turbines in an array and, subsequently, affect the individual turbine loading and power generated by the array. These wake characteristics are influenced by many factors, including site geography, inflow shear profile, turbulence, waves, the strength of the current resource, gravitational forces, storm surges, and seasonal effects like temperature and wind conditions. Efficient array modeling tools that capture these wake effects and resulting turbine-to-turbine interactions need to be developed to optimize farm layouts and design individual turbines for operation within arrays. Unlike the wind industry, the marine energy research community is largely limited to the use of either numerical tools or tank/flume testing to understand marine turbine wake interactions. This paper will investigate recent advances in numerical and experimental marine turbine wake modeling, with a focus on recent publications and on both axial-flow and cross-flow marine turbines. A summary of recent research on these topics is provided. Additionally, a demonstration of turbine wake interactions using computational fluid dynamics is presented.

marine hydrokinetic turbine↗

DOE OSTI2022

Nb3Sn Coating of Twin Axis Cavity for SRF Applications

The twin axis cavity with two identical accelerating beams has been proposed for Energy recovery linac (ERL) applications. Nb3Sn is a superconducting material with a higher critical temperature and a higher critical field as compared to Nb, which promises a lower operating cost due to higher quality factors. Two niobium twin axis cavities fabricated at JLab and were proposed to be coated with Nb3Sn. Due to their more complex geometry, the typical coating process used for basic elliptical cavities needs to be improved to coat these cavities. This devel-opment advances the current coating system at JLab for coating complex cavities. Two twin axis cavities were coated recently for the first time. This contribution dis-cusses initial results from coating of twin axis cavities, RF testing and witness sample analysis with an overview of the current challenges towards high performance Nb3Sn coated twin axis cavities.

Tiskumara, J.↗

DOE OSTI2017

Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure

Low-salinity water flooding, a method of enhanced oil recovery, consists of injecting low ionic strength fluids into an oil reservoir in order to detach oil from mineral surfaces in the underlying formation. Although highly successful in practice, the approach is not completely understood at the molecular scale. Molecular dynamics simulations have been used to investigate the effect of surface protonation on the adsorption of an anionic crude oil component on clay mineral edge surfaces. A set of interatomic potentials appropriate for edge simulations has been applied to the kaolinite (010) surface in contact with an aqueous nanopore. Decahydro-2-napthoic acid in its deprotonated form (DHNA – ) was used as a representative resin component of crude oil, with monovalent and divalent counterions, to test the observed trends in low-salinity water flooding experiments. Surface models include fully protonated (neutral) and deprotonated (negative) edge sites, which require implementation of a new deprotonation scheme. The surface adsorptive properties of the kaolinite edge under neutral and deprotonated conditions have been investigated for low and high DHNA – concentrations with Na + and Ca 2+ as counterions. The tendency of DHNA – ions to coordinate with divalent (Ca 2+ ) rather than monovalent (Na + ) ions greatly influences adsorption tendencies of the anion. Additionally, the formation of net positively charged surface sites due to Ca 2+ at deprotonated sites results in increased DHNA – adsorption. Divalent cations such as Ca 2+ are able to efficiently bridge surface sites and organic anions. Replacing those cations with monovalent cations such as Na + diminishes the bridging mechanism, resulting in reduced adsorption of the organic species. As a result, a clear trend of decreased DHNA – adsorption is observed in the simulations as Ca 2+ is replaced by Na + for deprotonated surfaces, as would be expected for oil detachment from reservoir formations following a low-salinity flooding event.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Observations and Simulations of Dropout Events and Flux Decays in October 2013: Comparing MEO Equatorial With LEO Polar Orbit

We compare ESA PROBA-V observations of electron flux at LEO with those from the NASA Van Allen Probes mostly at MEO for October 2013. Dropouts are visible at all energy during four storms from both satellites. Equatorially trapped electron fluxes are higher than at LEO by 10 2 (<1 MeV) to 10 5 (>2.5 MeV). We observe a quite isotropic structure of the outer belt during quiet times, contrary to the inner belt, and pitch angle dependence of high energy injection. We find a very good overlap of the outer belt at MEO and LEO at ~0.5 MeV. We use test-particle simulations of the energetic electrons trapped in the terrestrial magnetic field to study the outer radiation belt electron flux changes during geomagnetic storms. We show that the Dst (Disturbance storm time) effect during the main phase of a geomagnetic storm results in a betatron mechanism causing outward radial drift and a deceleration of the electrons. This outward drift motion is energy independent, pitch angle-dependent, and represents a significant distance (~1 L-shell at L = 5 for moderate storms). At fixed L-shell, this causes a decay of the LEO precipitating flux (adiabatic outward motion), followed by a return to the normal state (adiabatic inward motion) during main and recovery phases. Dst effect, associated with magnetopause shadowing and radial diffusion can explain the main characteristics of outer radiation belt electron dropouts in October 2013. We also use Fokker-Planck simulations with event-driven diffusion coefficients at high temporal resolution, to distinguish instantaneous loss from the gradual scattering that depopulates the slot region and the outer belt after storms. Simulations reproduce the slot formation and the gradual loss in the outer belt. The typical energy dependence of these losses leads to the absence of scattering for relativistic and ultra-relativistic electrons in the outer belt, oppositely to dropouts.

79 ASTRONOMY AND ASTROPHYSICS↗