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At least 1,639 records · Page 91

Orbital survival of meter-size and larger bodies during gravitationally unstable phases of protoplanetary disk evolution

A long-standing problem in the collisional accretion of terrestrial planets is the possible loss of m-size bodies through their inward migration onto the protostar as a result of gas drag forces. Such inward migration can be halted, and indeed even reversed, in a protoplanetary disk with local pressure maxima, such as marginally gravitationally unstable (MGU) phases of evolution, e.g., FU Orionis events. Results are presented for a suite of three-dimensional models of MGU disks extending from 1 to 10 AU and containing solid particles with sizes of 1 cm, 10 cm, 1 m, or 10 m, subject to disk gas drag and gravitational forces. These hydrodynamical models show that over disk evolution time scales of ∼6×10{sup 3} years or longer, during which over half the gaseous disk mass is accreted by the protostar, very few 1 and 10 m bodies are lost through inward migration: most bodies survive and orbit stably in the outer disk. A greater fraction of 1 and 10 cm particles are lost to the central protostar during these time periods, as such particles are more closely tied to the disk gas accreting onto the protostar, but even in these cases, a significant fraction survive and undergo transport from the hot inner disk to the cold outer disk, perhaps explaining the presence of small refractory particles in Comet Wild 2. Evidently MGU disk phases offer a means to overcome the m-sized migration barrier to collisional accumulation.

79 ASTRONOMY AND ASTROPHYSICS↗

SUPERMASSIVE BLACK HOLES IN A STAR-FORMING GASEOUS CIRCUMNUCLEAR DISK

Using N-body/smoothed particle hydrodynamics simulations we study the evolution of the separation of a pair of supermassive black holes (SMBHs) embedded in a star-forming circumnuclear disk (CND). This type of disk is expected to be formed in the central kiloparsec of the remnant of gas-rich galaxy mergers. Our simulations indicate that orbital decay of the SMBHs occurs more quickly when the mean density of the CND is higher, due to increased dynamical friction. However, in simulations where the CND is fragmented in high-density gaseous clumps (clumpy CND), the orbits of the SMBHs are erratically perturbed by the gravitational interaction with these clumps, delaying, in some cases, the orbital decay of the SMBHs. The densities of these gaseous clumps in our simulations and in recent studies of clumpy CNDs are two orders of magnitude higher than the observed density of molecular clouds in isolated galaxies or ultraluminous infrared galaxies (ULIRGs), thus, we expect that SMBH orbits are perturbed less in real CNDs than in the simulated CNDs of this study and other recent studies. We also find that the migration timescale has a weak dependence on the star formation rate of the CND. Furthermore, the migration timescale of an SMBH pair in a star-forming clumpy CND is at most a factor of three longer than the migration timescale of a pair of SMBHs in a CND modeled with more simple gas physics. Therefore, we estimate that the migration timescale of the SMBHs in a clumpy CND is on the order of 10{sup 7} years.

79 ASTRONOMY AND ASTROPHYSICS↗

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagnetic α -Fe–Si alloys

Diffusion in α-Fe-Si alloys is studied using AKSOME, an on-lattice self-learning KMC code, in the ferromagnetic state. Si diffusivity in the α-Fe matrix were obtained with and without the magnetic disorder in various temperature ranges. In addition we studied vacancy diffusivity in ferromagnetic α-Fe at various Si concentrations up to 12.5at.% in the temperature range of 350–550 K. The results were compared with available experimental and theoretical values in the literature. Local Si-atom dependent activation energies for vacancy hops were calculated using a broken-model and were stored in a database. The migration barrier and prefactors for Si-diffusivity were found to be in reasonable agreement with available modeling results in the literature. Magnetic disorder has a larger effect on the prefactor than on the migration barrier. Prefactor was approximately an order of magnitude and the migration barrier a tenth of an electron-volt higher with magnetic disorder when compared to a fully ferromagnetic ordered state. In addition, the correlation between various have a larger effect on the Si-diffusivity extracted in various temperature range than the magnetic disorder. In the case of vacancy diffusivity, the migration barrier more or less remained constant while the prefactor decreased with increasing Si concentration in the disordered or A2-phase of Fe-Si alloy. Important vacancy-Si/Fe atom exchange processes and their activation barriers were also identified and discuss the effect of energetics on the formation of ordered phases in Fe-Si alloys.

AKSOME↗

Impact of homogeneous strain on uranium vacancy diffusion in uranium dioxide

We present a detailed mechanism of, and the effect of homogeneous strains on, the migration of uranium vacancies in UO 2 . Vacancy migration pathways and barriers are identified using density functional theory and the effect of uniform strain fields are accounted for using the dipole tensor approach. We report complex migration pathways and noncubic symmetry associated with the uranium vacancy in UO 2 and show that these complexities need to be carefully accounted for to predict the correct diffusion behavior of uranium vacancies. We show that under homogeneous strain fields, only the dipole tensor of the saddle with respect to the minimum is required to correctly predict the change in the energy barrier between the strained and the unstrained case. Diffusivities are computed using kinetic Monte Carlo simulations for both neutral and fully charged state of uranium single and divacancies. We calculate the effect of strain on migration barriers in the temperature range 800–1800 K for both vacancy types. Homogeneous strains as small as 2% have a considerable effect on diffusivity of both single and divacancies of uranium, with the effect of strain being more pronounced for single vacancies than divacancies. In contrast, the response of a given defect to strain is less sensitive to changes in the charge state of the defect. Further, strain leads to anisotropies in the mobility of the vacancy and the degree of anisotropy is very sensitive to the nature of the applied strain field for strain of equal magnitude. Our results indicate that the influence of strain on vacancy diffusivity will be significantly greater when single vacancies dominate the defect structure, such as sintering, while the effects will be much less substantial under irradiation conditions where divacancies dominate.

36 MATERIALS SCIENCE↗

Interplay between defect transport and cation spin frustration in corundum-structured oxides

Despite the fundamental importance of mass transport, there is still a lack of knowledge regarding the mechanisms in many materials. In particular, how the magnetic spin structure interacts with migrating defects is unclear. In this work, using density functional theory to examine cation interstitial transport in antiferromagnetic corundum-structured oxides, we reveal an interplay between the migration of the interstitial and the magnetic structure of the oxide. The magnetic spin configuration impacts the migration energy of the migrating defect but, critically, the defect modifies the spin configuration. Thus, the two aspects change in concert to modify one another. This has profound implications for mass transport in magnetic materials.

36 MATERIALS SCIENCE↗

Multiphase Modeling of Geologic Carbon Sequestration in Saline Aquifers

Abstract Geologic carbon sequestration ( GCS ) is being considered as a climate change mitigation option in many future energy scenarios. Mathematical modeling is routinely used to predict subsurface CO 2 and resident brine migration for the design of injection operations, to demonstrate the permanence of CO 2 storage, and to show that other subsurface resources will not be degraded. Many processes impact the migration of CO 2 and brine, including multiphase flow dynamics, geochemistry, and geomechanics, along with the spatial distribution of parameters such as porosity and permeability. In this article, we review a set of multiphase modeling approaches with different levels of conceptual complexity that have been used to model GCS . Model complexity ranges from coupled multiprocess models to simplified vertical equilibrium (VE) models and macroscopic invasion percolation models. The goal of this article is to give a framework of conceptual model complexity, and to show the types of modeling approaches that have been used to address specific GCS questions. Application of the modeling approaches is shown using five ongoing or proposed CO 2 injection sites. For the selected sites, the majority of GCS models follow a simplified multiphase approach, especially for questions related to injection and local‐scale heterogeneity. Coupled multiprocess models are only applied in one case where geomechanics have a strong impact on the flow. Owing to their computational efficiency, VE models tend to be applied at large scales. A macroscopic invasion percolation approach was used to predict the CO 2 migration at one site to examine details of CO 2 migration under the caprock.

Bandilla, Karl W.↗

Feasibility Assessment of Long-Term Electrical Resistivity Monitoring of a Nitrate Plume

Long-term monitoring solutions at contaminated sites are necessary to track plume migration and evaluate the performance of remediation efforts. Electrical resistivity imaging (ERI) can potentially provide information about plume dynamics; however, the feasibility and likelihood of success is seldom evaluated before conducting a field study. Coupling flow and transport models with geoelectrical models provides a powerful way to assess the potential effectiveness of an actual ERI field campaign. in this paper, we present a coupled approach for evaluating the feasibility of monitoring nitrate migration and remediation using 4D time-lapse ERI at a legacy nuclear waste facility. This kilometer-scale study focuses on depths below the water table (~70 m). A flow and transport model is developed to perform simulations of nitrate migration and removal via a hypothetical pump-and-treat system. A tracer injection is also simulated at the leading edge of the nitrate plume to enhance the conductivity contrast between the native subsurface and the groundwater fluids. Images of bulk conductivity provide limited information concerning plume migration while time-lapse difference images, which remove the static effects of geology, provide more useful information concerning plume dynamics over time. A spatial moment analysis performed on flow and transport and ERI models matches well during the tracer injection; however, inversion regularization smoothing otherwise limits the value in terms of locating the center of mass. We find that the addition of a tracer enables ERI to characterize plume dynamics during pump-and-treat operations, and late-time ERI monitoring provides a conservative estimate of nitrate plume boundaries in this synthetic study.

54 ENVIRONMENTAL SCIENCES↗

Editors’ Choice—Necessity to Avoid Titanium Oxide as Electrocatalyst Support in PEM Fuel Cells: A Membrane Durability Study

Pt/TiO 2 as electrocatalyst was found to significantly increase the rate of the membrane chemical degradation in a polymer electrolyte membrane (PEM) fuel cell. The increased degradation was proved to be due to TiO x (TiO 2 or Ti 4 O 7 ), which is widely recognized as a promising corrosion-resistant electrocatalyst support. The membrane degradation (thinning) appears to be preferentially in the side facing anode electrode. Migrated Ti species as a result of TiO x dissolution during fuel cell operation in an acidic environment was quantified by electron probe microanalysis (EPMA). Total fluorine inventory loss of the membrane strongly depends on the quantity of migrated Ti species (likely Ti 3+ and/or Ti 4+ ). The membrane chemical degradation induced by TiO x is proposed to be due to dissolved ionic Ti species reacting with H 2 O 2 through a Fenton reaction. TiO x is determined to be inviable as electrocatalyst support for PEM fuel cells, and future research is suggested to be directed toward alternative oxides with similar corrosion-resistance.

08 HYDROGEN↗

Unexpected Voltage Fade in LMR-NMC Oxides Cycled below the “Activation” Plateau

A common feature of lithium-excess layered oxides, nominally of composition xLi 2 MnO 3 •(1-x)LiMO 2 (M = transition metal) is a high-voltage plateau (~4.5 V vs. Li/Li + ) in their capacity-voltage profile during the first delithiation cycle. This plateau is believed to result from activation of the Li 2 MnO 3 component, which makes additional lithium available for electrochemical cycling. However, oxides cycled beyond this activation plateau are known to display voltage fade which is a continuous reduction in their equilibrium potential. In this article we show that these oxides display gradual voltage fade even on electrochemical cycling in voltage ranges well below the activation plateau. The average fade is ~0.08 mV-cycle-1 for Li 1.2 Ni 0.15 Mn 0.55 Co 0.1 O 2 vs. Li cells after 20 cycles in the 2–4.1 V range at 55°C; a ~54 mV voltage hysteresis, expressed as the difference in average cell voltage between charge and discharge cycles, is also observed. The voltage fade results from a gradual accumulation of local spinel environments in the crystal structure. Some of these spinel sites result from lithium deficiencies during oxide synthesis and are likely to be at the particle surfaces; other sites result from the migration of transition metal atoms in the partially-delithiated LiMO 2 component into the lithium planes during electrochemical cycling. The observed rate of voltage fade depends on a combination of factors that includes the phase equilibrium between the layered and spinel components and the kinetics of transition metal migration.

Li, Yan↗

Role of Tropical Variability in Driving Decadal Shifts in the Southern Hemisphere Summertime Eddy-Driven Jet

The Southern Hemisphere summertime eddy-driven jet and storm tracks have shifted poleward over the recent few decades. In previous studies, explanations have mainly stressed the influence of external forcing in driving this trend. Here we examine the role of internal tropical SST variability in controlling the austral summer jet’s poleward migration, with a focus on interdecadal time scales. The role of external forcing and internal variability are isolated by using a hierarchy of Community Earth System Model version 1 (CESM1) simulations, including the pre-industrial control, large ensemble, and pacemaker runs. Model simulations suggest that in the early twenty-first century, both external forcing and internal tropical Pacific SST variability are important in driving a positive southern annular mode (SAM) phase and a poleward migration of the eddy-driven jet. Tropical Pacific SST variability, associated with the negative phase of the interdecadal Pacific oscillation (IPO), acts to shift the jet poleward over the southern Indian and southwestern Pacific Oceans and intensify the jet in the southeastern Pacific basin, while external forcing drives a significant poleward jet shift in the South Atlantic basin. In response to both external forcing and decadal Pacific SST variability, the transient eddy momentum flux convergence belt in the middle latitudes experiences a poleward migration due to the enhanced meridional temperature gradient, leading to a zonally symmetric southward migration of the eddy-driven jet. This mechanism distinguishes the influence of the IPO on the midlatitude circulation from the dynamical impact of ENSO, with the latter mainly promoting the subtropical wave-breaking critical latitude poleward and pushing the midlatitude jet to higher latitudes.

54 ENVIRONMENTAL SCIENCES↗

Twist1-positive epithelial cells retain adhesive and proliferative capacity throughout dissemination

Dissemination is the process by which cells detach and migrate away from a multicellular tissue. The epithelial-to-mesenchymal transition (EMT) conceptualizes dissemination in a stepwise fashion, with downregulation of E-cadherin leading to loss of intercellular junctions, induction of motility, and then escape from the epithelium. This gain of migratory activity is proposed to be mutually exclusive with proliferation. We previously developed a dissemination assay based on inducible expression of the transcription factor Twist1 and here utilize it to characterize the timing and dynamics of intercellular adhesion, proliferation and migration during dissemination. Surprisingly, Twist1+ epithelium displayed extensive intercellular junctions, and Twist1– luminal epithelial cells could still adhere to disseminating Twist1+ cells. Although proteolysis and proliferation were both observed throughout dissemination, neither was absolutely required. Finally, Twist1+ cells exhibited a hybrid migration mode; their morphology and nuclear deformation were characteristic of amoeboid cells, whereas their dynamic protrusive activity, pericellular proteolysis and migration speeds were more typical of mesenchymal cells. Our data reveal that epithelial cells can disseminate while retaining competence to adhere and proliferate.

Life Sciences & Biomedicine - Other Topics↗

Offshore Observations of Eastern Red Bats ( Lasiurus borealis ) in the Mid-Atlantic United States Using Multiple Survey Methods

Little is known about the migration and movements of migratory tree-roosting bat species in North America, though anecdotal observations of migrating bats over the Atlantic Ocean have been reported since at least the 1890s. Aerial surveys and boat-based surveys of wildlife off the Atlantic Seaboard detected a possible diurnal migration event of eastern red bats (Lasiurus borealis) in September 2012. One bat was sighted approximately 44 km east of Rehoboth Beach, Delaware during a boat-based survey. Eleven additional bats were observed between 16.9 and 41.8 km east of New Jersey, Delaware, and Virginia in high definition video footage collected during digital aerial surveys. Observations were collected incidentally as part of a large baseline study of seabird, marine mammal, and sea turtle distributions and movements in the offshore environment. Digital survey methods also allowed for altitude estimation for several of these bats at >100 m above sea level. These observations provide new evidence of bat movements offshore, and offer insight into their flight heights above sea level and the times of day at which such migrations may occur.

54 ENVIRONMENTAL SCIENCES↗

Control of Basin Water Depth On Channel Morphology and Autogenic Timescales in Deltaic Systems

River channel geometry is often controlled by upstream boundary conditions, including fluvial discharge and sediment properties. At the coast, downstream boundary conditions (e.g., tides, waves, water depth) also strongly influence channel formation and evolution. Here, we conducted a set of experiments to determine the effects of basin water depth (i.e., a downstream boundary condition) on the evolution and geometry of fluviodeltaic channels and lobes. Internal dynamics (autogenic processes) in the fluviodeltaic system drive channel avulsion through cycles of sediment storage and release. Experimental results indicate an increase in the timescale of autogenic storage and release with increasing basin water depth. Deeper basin water requires a larger volume to be filled within the delta front, thus more time to complete one autogenic storage and release cycle for a given sediment discharge. While a relationship between delta-front volume and autogenic storage and release timescales is expected, we show that autogenically generated morphological changes in the delta topset and distributary channels also exert control on timescales of storage and release. Deltas building into deeper basins develop steeper topsets, and deeper distributary channels that cause high-magnitude topset slope fluctuations, which contribute to the long autogenic timescales. Deposits in shallow basins exhibit both shallower topset slopes and shallower channels. Channel bed slopes are similar (~0.06) across all experiments, but lateral channel migration rates varied with basin depth. Deltas building into shallow basins had rapid lateral channel migration, such that channels quickly reworked the delta topset. For deep basins, channel migration rates were much slower, so the topset was reworked less often, allowing the topset to build to steeper slopes before being reworked. These experiments indicate an intimate relationship between lateral channel migration and topset aggradation. In addition, the deeper and more stable channels in deeper basins generally developed a wider range of channel widths, some of which produced elongate lobes. Finally, we conclude that the downstream boundary has a strong control on fluviodeltaic morphology, which can result in a striking difference in the autogenic timescale.

58 GEOSCIENCES↗

UO 2 Grain Growth: Developing Phase Field Models for Pore Dragging, Solute Dragging and Anisotropic Grain Boundary Energies

A detailed phase field model for the effect of pore drag on grain growth kinetics was implemented in MARMOT. The model takes into consideration both the curvature-driven grain boundary motion and pore migration by surface diffusion. As such, the model accounts for the interaction between pore and grain boundary kinetics, which tends to retard the grain growth process. Our 2D and 3D simulations demonstrate that the model capture all possible pore-grain boundary interactions proposed in theoretical models. For high enough surface mobility, the pores move along with the migrating boundary as a quasi-rigid-body, albeit hindering its migration rate compared to the pore-free case. For less mobile pores, the migrating boundary can separate from the pores. For the pore-controlled grain growth kinetics, the model predicts a strong dependence of the growth rate on the number of pores, pore size, and surface diffusivity in agreement with theroretical models. An evolution equation for the grain size that includes these parameters was derived and showed to agree well with numerical solution. It shows a smooth transition from boundary-controlled kinetics to pore-controlled kinetics as the surface diffusivity decreases or the number of pores or their size increases. This equation can be utilized in BISON to give accurate estimate for the grain size evolution. This will be accomplished in the near future. The effect of solute drag and anisotropy of grain boundary on grain growth will be investigated in future studies.

36 MATERIALS SCIENCE↗

Structural and Stratigraphic Controls on Methane Hydrate occurrence and distribution: Gulf of Mexico, Walker Ridge 313 and Green Canyon 955: Final Report

The goal of this project was to determine structural and stratigraphic controls on hydrate occurrence and distribution in Green Canyon (GC) 955 and Walker Ridge (WR) 313 blocks using seismic and well data. Gas hydrate was discovered in these blocks in coarse- and fine-grained sediments during the 2009 Joint Industrial project (JIP) Leg 11 drilling expedition. Although the immediate interest of the exploration community is exclusively hydrate which is present in coarse–grained sediments, factors that control hydrate and free gas distribution in the two blocks and whether coarse and fine-grained hydrate-bearing units are related in any manner, formed the core of this research. The project spanned from 10/01/2012 to 07/31/2016. In the project, in both the leased blocks, the interval spanning the gas hydrate stability zone (GHSZ) was characterized using a joint analysis of sparse Ocean Bottom Seismic (OBS) and dense, surface–towed multichannel seismic (MCS) data. The project team had the luxury of calibrating their results with two well logs. Advance processing methods such as depth migration and full-waveform inversion (FWI) were used for seismic data analysis. Hydrate quantification was achieved through interpretation of the FWI velocity field using appropriate rock physics models at both blocks. The seismic modeling/inversion methodology (common to both GC955 and WR313 blocks) was as follows. First, the MCS data were depth migrated using a P-wave velocity (VP) model constructed using inversion of reflection arrival times of a few (four in both cases) key horizons carefully picked in the OBS data to farthest possible offsets. Then, the resolution of the traveltime VP model was improved to wavelength scale by inverting OBS gathers up to the highest frequency possible (21.75 Hz for GC955 and 17.5 for WR313) using FWI. Finally, the hydrate saturation (or the volume fraction) was estimated at the well location assuming one of the other hydrate morphology (filling the primary or the secondary porosity) was extrapolated out from the wells using the FWI VP as a guide. General outcomes were as follows. First and foremost, an imaging methodology using sparse seismic data, which is easily replicable at other sites with similar datasets, has been demonstrated. The end product of this methodology at both the leased blocks is quantitative estimates of hydrate distribution. Second, at both locations there is strong evidence that the base of the GHSZ, which does not appear as a clear Bottom Simulating Reflection (BSR), manifests in the VP perturbations created by FWI, suggesting that FWI is sensitive to subtle compositional changes in shallow sediments and establishes it as a valuable tool for investigations of hydrate-bearing basins. Third, through joint interpretation of the depth migrated image and the FWI VP model, how structure and stratigraphy jointly determine hydrate and free gas distribution in both blocks could be clearly visualized. The joint interpretation also suggests that the coarse and fine grained hydrate-bearing sediments at both leased are connected. Site specific results, in addition to general results, are as follows. At GC955 the overlying fine-grained hydrate-bearing unit could have been sourced from the underlying hydrate coarse-grained channel-levee complex through a chimney feature. The channel-levee system at GC955 is compartmentalized by faults, of which only a few may be impermeable. Although compartmentalized, the channel-levee system in the GC955 as a whole might be in communication except selected zones. At WR313 the overlying fine-grained fracture-filled hydrate unit appears to be sourced from below the GHSZ. The reason that only a particular fine-grained unit has hydrate, despite having lower porosity that the bounding units, could be the presence of secondary porosity (such as those formed from clay dewatering under compaction). In conclusion, the project was a pioneering effort in in joint analysis of OBS and MCS datasets for advancing the knowledge about a hydrate and free–gas system dynamics using advanced processing methods such as FWI and depth migration. Results obtained in this project can greatly advance the tools and techniques used for delineating specific hydrate prospects. Results obtained in this project can also be seamlessly incorporated into other DOE funded project on modeling the potential productivity and commercial viability of hydrate from sand-dominated reservoirs. The OBS and MCS data in this project were acquired in 2012 (after the JIP II drilling) by the USGS and therefore the results are a posteriori. Nonetheless, the seismic inversion workflow established through this project can be used to generate various what-if quantification scenarios even in absence of logs and serve as a valuable tool for guiding drilling operations. Results from this project can augment other DOE sponsored projects on determining the commercial viability of methane production from the Gulf of Mexico.

03 NATURAL GAS↗

Development of a Technology Roadmap for Online Monitoring of Nuclear Power Plants

The nuclear power industry has recently recognized the potential cost saving that can be achieved from migrating the current manual and labor dependent surveillance and preventive maintenance activities to data-driven online monitoring methods. Since then, several efforts have been launched with various degrees of momentum to tackle specific surveillance or preventive maintenance activities. The light water reactor sustainability program (LWRS) program has anticipated this need and launched an effort that aimed to develop a technology roadmap for the nuclear power industry. Because the roadmap has to be focused towards the user or application’s value, and because nuclear power plants have different process efficiencies and deficiencies, the technology roadmap has to be plant independent. Achieving this objective required optimizing the extent of details described by a technology roadmap. The approach followed is for the roadmap to describe the sequence of activities needed to automate a process or equipment activity, but not describe the sequence of processes or equipment to target. For example, the steps required to migrate the inspection of a pump are plant independent. However, defining that the migration of feed water pumps inspections to online monitoring should be performed before inspections of feed water valves is dependent on multiple plant factors such as the plant requirements, labor work capacity, and process or equipment conditions. The technology roadmap was broken down into six elements, four of which have a sequential path of advancement, while the other two are supporting elements to the sequential elements. The sequential part of the roadmap analyzes data collection, analytics, visualization, and management. For these elements of the technology roadmap, the migration of an activity is defined in three states. The base state is defined as the most primitive, manual, and labor dependent process used by some nuclear power plants. The modern state is defined as the state that can be achieved if the activities are augmented or replaced by current technologies that are commercially available or are soon to be available. The state of the art is defined as using technologies of the future, i.e. concept and technologies that are being researched. The data collection part of the technology roadmap defines three states of every process performed in a nuclear power plant. However, the data analytics part is described based on equipment, because automating an activity performed on one equipment required considering multiple data sources. The visualization and data management elements are process or equipment independent. Visualization describes the means to use human factor science and technologies advancement in presenting the data collected and the data analytics results. The data management targets storage, communication, and computational power need, in addition to data integration and sharing. Since storage, communication, and computational power technologies and path for deployment are known to any information technology organization, this effort targeted the cost of data management. This has a direct impact on the feasibility of the automation effort. The supporting elements analyzes the value of automating the activity and the change challenges to tackle. For the support elements, the roadmap targeted describing activities that need to be performed as part of the roadmap development. The value element of the roadmap describes how to analyze the cost saving and the associated risk. The change management identifies multiple factors to consider such as regulation, cybersecurity, resource availability, supporting infrastructure availability, feasibility (power, fitness, environment tolerance, facilities), and cultural change.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Characterization of Contaminants and Mobility in WMA A-AX Boreholes D0006 and D0008

This study was initiated to determine if subsurface contaminants in the A-AX vadose zone at the Hanford site (boreholes D0006 and D0008) caused corrosion of nearby stainless steel well casings (299-E-24-19, 299-E25-46, and 299-E25-236) and, based on the type and distribution of contaminants, determine if contaminants are from one or more sources including a) the A-104 and/or A-105 tanks, b) the 242A evaporator, and c) the 200-E-286 ditch. A tiered approach was used for characterizing contaminants in vadose zone sediments starting with mobile and total contaminant concentrations (Tier 1), characterizing contaminant speciation (Tier 2), and measuring contaminant leaching (Tier 3). Total and mobile contaminant measurements at seven depths showed elevated sulfate and nitrate in all samples (130 to 280 ft depth), elevated chloride in five depths, and no elevated radionuclides except I-129 in D0006 at 206 to 208 ft depth. If these contaminants were initially acidic, stainless-steel corrosion would occur. However, because sediments likely have a high acid neutralization capacity, an acidic spill would have been neutralized within tens of feet, so casing corrosion would likely occur in shallow sediments. GEL labs data also shows low (but above natural) chromate from shallow to 170 ft depth, then higher chromate to 280 ft, suggesting a surface Cr spill or casing corrosion. GEL labs data also showed evidence of more than one plume, with deep nitrate, sulfate, and chloride migration, but only shallow tritium migration. Tritium should migrate nearly unretarded in the subsurface like nitrate and chloride. Elevated aqueous cations and anions in the D0006 206 to 208' depth pore water (SO 4 2- , NO 3 - , Na + , K + , Ca 2+ , Mg 2+ , Si) could be the result of acid disposal and calcite dissolution at shallow depth, with deeper migration of SO 4 2- , NO 3 - from acids and Ca 2+ and Mg 2+ from calcite. Elevated Si (160 mg/L) indicates dissolution of clays or other silicates, which can also occur in acids. Acid extractable metals did show elevated Cr (but not Fe, Ni, Mo, and Mn) above natural levels, which may indicate stainless-steel well corrosion or transport of metals from a shallow spill. The elevated I-129 in D0006 at 206 to 208' depth was low with 0.34 μg/g in pore water and 1.5 μg/g total extractable I-129 in the sediment, which indicates significant fraction of I-129 was bound in one or more precipitates. Although total I-129 was below detection limits in most extractions due to high molybdate interference, I-127 analysis provided some insight into potential precipitate phases. Total I-127 was mainly extracted by acetate or acetic acid (67%), which may be iodine in calcite. Inorganic carbon measurement identified 1.65% calcite, and total organic carbon (TOC) was below detection limits, so iodine was not associated with organic matter. Nearly all the I-127 was present as iodide. In 1-D leach experiments, I-127 as iodide leached from the sediment within 2 pore volumes. Due to high and dynamic molybdate leaching from the sediment and interference with I-129 analysis, there were few quantifiable I-129 measurements. The calculated molybdate release rates from the sediment suggested Mo was being released from the same precipitate phase, such as molybdate incorporated into calcite. Overall, because there was little radioactive contamination measured in D0006 and D0008 boreholes, potential releases from A-104 and A-105 did not reach this location south of the A tank farm. Elevated cations and anions found in D0006 and D0008 at depth as the result of acidic disposal could cause shallow stainless steel casing corrosion. The nearby 242A evaporator generally contained alkaline waste and tritium, but the nearby 200-E-286 ditch generally contained high Cl - liquid effluent, so these are unlikely to be acidic sources.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Inventory of Public Key Cryptography in US Electric Vehicle Charging

Electric vehicles (EVs) and charging infrastructure are networked systems, which employ high-level communications in support of charging and grid service decisions. Public key cryptography (PKC) underlies much of the security and privacy protections of the information exchange. We are entering a new epoch where quantum computing threats must be seriously considered. A sufficiently large quantum computer, so named Cryptographically Relevant Quantum Computer (QRQC), will be able to perform the mathematical operations to efficiently attack the underpinnings of traditional PKC, thus jeopardizing the digital foundations for trust, communications security, and data security. Estimates suggest a QRQC can break public key encryption and digital signatures in the manner of tens to hundreds of hours, compared to traditional computing that would demand more than 10 18 years in a brute force-style attack. A consensus belief of quantum theorists, quantum experimenters, and cryptographers suggest that the quantum threat will be likely realized in the next twenty years. To address the threat, post-quantum cryptography, which is cryptosystems that are designed to be secure against both traditional and quantum computing threats, must be adopted. Migration from traditional PKC to quantum-resilient cryptography is a global undertaking and likely represents the largest transition in computing history. The nascent state of EV public key infrastructure, combined with limited adoption of the vehicle secure charging features, presents an opportunity to establish a preference for quantum-resistant cryptography as a step on the migration path. Delays will stunt the efforts as rapidly accelerating EVs sales and huge infrastructure investments will create large growing bases of long-lived vehicles and infrastructure. Migration preparations can commence while NIST continues the process to standardize post-quantum cryptography (PQC), which are quantum-resilient algorithms designed to be secure against traditional and quantum computing threats. The first step in preparing EV charging is to identify the presence of traditional public key cryptography algorithms and applications. With this objective in mind, this report is intended to advise the vehicle manufacturers, charging station manufacturers, charging station operators, charge network providers and other EV charging stakeholders with information on traditional PKC application and the potential risks when PKC becomes insecure. This report, the first in a series of reports discussing the topics existing at the confluence of post-quantum cryptography adoption and EV charging, identifies traditional public key applications employed and identifies potential consequences of leaving EV charging infrastructure vulnerable to quantum computing. The focus remains squarely on the of EV charging and infrastructure with respect to PKC and is believed by the authors to complement the NIST SP 1800-38 Migration to Post-Quantum Cryptography. While the report is centered on infrastructure, there are implications to vehicles.

33 ADVANCED PROPULSION SYSTEMS↗