Search NASA⌕ Search

SEARCH · Search NASA

Results for “Fines Migration”

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

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3

Gas hydrate petroleum systems: What constitutes the “seal”?

The gas hydrate petroleum system (GHPS) approach, which has been used to characterize gas hydrates in nature, uses three distinct components: a methane source, a methane migration pathway, and a reservoir that not only contains gas hydrate, but also acts as a seal to prevent methane loss. Unlike GHPS, a traditional petroleum system (PS) approach further distinguishes between the reservoir, a unit with generally coarser sediment grains, and a separate overlying seal unit with generally finer sediment grains. Adopting this traditional PS distinction in the GHPS approach facilitates assessments of reservoir growth and production potential. The significance of the seal for the formation of a gas hydrate reservoir as well as for efficiency in methane extraction from the reservoir as an energy resource is evident in findings from recent offshore field expeditions, such as India’s second National Gas Hydrate Program expedition (NGHP-02). In regard to gas hydrate-bearing reservoir formations, the NGHP-02 gas chemistry data indicate a primarily microbial methane source. Fine-grained seal sediment in contact with coarser grained reservoir sediment can facilitate that microbial methane production. Logging-while-drilling and sediment core data also indicate that the overlying fine-grained seal sediment is less permeable than the underlying, highly gas hydrate-saturated reservoir sediment. The overlying seal’s capacity to act as a low-permeability boundary is important not only for preventing methane migration out of the reservoir over time, but also for preventing water invasion into the reservoir during methane extraction from the reservoir. Ultimately, the presence of an overlying, fine-grained, low-permeability “seal” influences how gas hydrate initially forms in a coarse-grained reservoir and dictates how efficiently methane can be extracted as an energy resource from the gas hydrate reservoir via depressurization.

Geochemistry & Geophysics↗

Molecular dynamics study of grain boundary and radiation effects on tritium population and diffusion in zirconium

Tritium population thermodynamics and transport kinetics critically define the tritium storage performance of zirconium tritides that can be used for a variety of nuclear applications including tritium-producing burnable absorber rods. Both thermodynamic and kinetic properties can be sensitive to grain sizes of materials and can be significantly altered by irradiated defects during operation under the reactor environments. A thorough experimental characterization of how these properties evolve under different reactor conditions and different initial grain structures is extremely challenging. Here molecular dynamics simulations are used to investigate tritium population and diffusion in zirconium with and without different planar symmetric and asymmetric tilt grain boundaries and irradiated defects. Here, we found that in addition to trapping tritium, the most significant effect of planar grain boundaries is to increase tritium diffusivity on the boundary plane. Furthermore, fine grain structures are found to mitigate the change of tritium diffusivity due to irradiated point defects as these point defects are likely to migrate to and sink at grain boundaries.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Modeling phase transformations in Mn-rich disordered rocksalt cathodes with machine-learning interatomic potentials

Mn-rich disordered rocksalt (DRX) cathode materials exhibit a phase transformation from a disordered to a partially disordered spinel-like structure (δ-phase) during electrochemical cycling. Here, in this computational study, we use charge-informed molecular dynamics with a fine-tuned CHGNet foundation potential to investigate the phase transformation in LixMn 0.8 Ti 0.1 O 1.9 F 0.1 . Our results indicate that transition metal migration occurs and reorders to form the spinel-like ordering in an FCC anion framework. The transformed structure contains a higher concentration of nontransition metal (0-TM) face-sharing channels, which are known to improve Li transport kinetics. Analysis of the Mn valence distribution suggests that the appearance of tetrahedral Mn 2+ is a consequence of spinel-like ordering, rather than the trigger for cation migration as previously suggested. Calculated equilibrium intercalation voltage profiles demonstrate that the δ-phase, unlike the ordered spinel, exhibits solid-solution signatures at low voltage. A higher Li capacity is obtained than in the DRX phase. This study provides atomic insights into solid-state phase transformation and its relation to experimental electrochemistry, highlighting the potential of machine-learning interatomic potentials for understanding complex oxide materials.

Zhong, Peichen [University of California, Berkeley↗

A phenology- and trend-based approach for accurate mapping of sea-level driven coastal forest retreat

The rapid replacement of upland forest by encroaching marshland is a striking manifestation of global sea-level rise (SLR). Timely and high-resolution information on the location and extent of transition forest (the ecotone between upland forest and marsh where tree mortality due to seawater intrusion begins) is fundamental to understanding the processes and patterns of SLR-driven landscape reorganization. Despite its significance, accurate characterization of salt-impacted transition forest remains challenging due to the complexity of coastal environments, scarcity of ground-truth data, and the lack of effective mapping algorithms. Here we use the full archive of Landsat images between 1984 and 2021 to investigate the spectral, temporal, and phenological characteristics of transition forest, and develop a robust framework for monitoring coastal vegetation shifts in the mid-Atlantic U.S., a global SLR hotspot. Here, we found that transition forest exhibits strong negative NDVI trends and a deviation of land surface phenology from marsh and upland forest that distinguishes itself from surrounding vegetation. By integrating temporal trends and land surface phenology, our results demonstrate superior discrimination between marsh and coastal forests to existing map products (e.g. NOAA Coastal Change Analysis Program, National Land Cover Database) that allows a reliable identification of the coastal treeline. We applied the approach to map regional land cover in 1985, 2000 and 2020 (overall classification accuracy >92%) and found that the area of coastal forest decreased by 22.0% from 1985 to 2020, the majority of which transitioned to marshland (92.3%, 5.3 × 10 3 ha). Based upon fine-scale patterns of coastal transgression, we created a practical workflow for spatially explicit quantification of forest retreat rates. Concurrent with rising sea level, coastal forests migrated upslope from 0.63 (± 0.27) m above sea level in 1985 to 0.78 (± 0.32) m above sea level in 2020, and horizontal forest retreat rates accelerated from 3.1 (range of 0–36) m yr -1 during 1985–2000 to 4.7 (0–55) m yr -1 during 2001–2020. As SLR continues to accelerate, our study may serve as a scalable solution for consistent tracking of coastal landscape evolution that is urgently needed for sustainable forest and wetland management.

54 ENVIRONMENTAL SCIENCES↗

Enhanced delivery of engineered Fe-Mn binary oxides in heterogeneous porous media for efficient arsenic stabilization

Heterogeneity in sediment and aquifer is universal, resulting in preferential flows of injected materials in the high permeability regions and forming flow by-passed zones in the low permeability regions during in-situ subsurface remediation. This adverse effect can considerably delay the completion of remedial operations and significantly increase the cost. Column experiments were designed and conducted to study the transport of starch- and starch-xanthan gum modified Fe-Mn binary oxide particles (SFM and SXFM) in saturated heterogeneous porous media and to reveal the particles’ arsenic (As) stabilization performance. Fine-in-Coarse (FIC) and Coarse-in-Fine (CIF) patterns of heterogeneous packings were set up in the columns. Testing results demonstrated that starch-xanthan gum dual treatment on Fe-Mn binary oxides successfully improved the particles’ migration capability in heterogeneous porous media and their distribution uniformity attributed to the profound shear thinning behavior of xanthan gum solution. The addition of xanthan gum to the system increased the viscosity and shear thinning property of SXFM suspension, making it a better candidate for delivery. Both SFM and SXFM stabilized As in heterogeneously packed sediment collected from a contaminated site, with SXFM showing better stabilization performance than SFM. The stabilization effects of SXFM were 90.7-97.0%, compared to 82.0-95.2% of SFM.

Yan, Xiulan↗

The evolution of dust deposits in the Martian north polar region

The origin and evolution of two major eolian deposits of the Martian north polar region, the layered deposits and the debris mantle, are examined. Both apparently result from deposition of dust along with the seasonal CO2 frost cap. Dust deposited onto the perennial ice is incorporated into the layered deposits, while dust deposited directly onto the surface becomes part of the debris mantle. Climatically induced fluctuation of the perennial ice margin has influenced the evolution of both units. Periodic exposure to the atmosphere has allowed erosion of curvilinear troughs in the surface of the layered deposits. Intervening periods of deposition may have resulted in gradual poleward migration of the trough forms, leaving behind sets of low-amplitude surface undulations in former trough locations. Advance and retreat of the perennial ice margin has also probably resulted in a fine interfingering of the layered deposits-debris mantle contract. Limited post-depositional stripping of the debris mantle has been accomplished by intense winds blowing outward from the pole.

Squyres, S. W.↗

Time-Resolved Neutron Imaging for Hydrogen Uptake in Subsurface Lithologies

Geologic hydrogen production and underground storage are increasingly important for meeting rising energy demands while providing clean-combustion advantages. However, hydrogen’s high diffusivity and propensity for leakage through porous media necessitate direct evaluation of its transport behavior in subsurface materials. Whereas X-ray microcomputed tomography (μCT) studies often employ contrast agents or surrogate gases, this study leverages neutron transmission radiography/CT to observe hydrogen migration in situ. This work represents the first demonstration of real-time neutron radiography of hydrogen migration in reservoir and caprock lithologies. Cylindrical cores of Indiana limestone, Amherst Gray sandstone, and Tumey shale were subjected to constant-pressure hydrogen charging and scanned in real time using high-resolution neutron radiography. Results indicate immediate hydrogen infiltration in sandstone and limestone, with homogeneous distribution detected throughout their pore structure. In contrast, hydrogen remained largely absent from fine-grained shale under the same pressure, except in an apparently localized fracture zone, where neutron signatures confirmed the presence of hydrogen. Subsequent neutron CT of the sandstone sample, using image subtraction against an uncharged reference, corroborated hydrogen distribution patterns. Even under lowpressure, single-phase conditions, distinct neutron imaging signatures of hydrogen were achieved. These preliminary findings underscore the potential of neutron imaging for advancing subsurface hydrogen migration research.

08 HYDROGEN↗

Landscape rules predict optimal superhighways for the first peopling of Sahul

Archaeological data and demographic modelling suggest that the peopling of Sahul required substantial populations, occurred rapidly within a few thousand years and encompassed environments ranging from hyper-arid deserts to temperate uplands and tropical rainforests. How this migration occurred and how humans responded to the physical environments they encountered have, however, remained largely speculative. By constructing a high-resolution digital elevation model for Sahul and coupling it with fine-scale viewshed analysis of landscape prominence, least-cost pedestrian travel modelling and high-performance computing, here we create over 125 billion potential migratory pathways, whereby the most parsimonious routes traversed emerge. Our analysis revealed several major pathways—superhighways—transecting the continent, that we evaluated using archaeological data. These results suggest that the earliest Australian ancestors adopted a set of fundamental rules shaped by physiological capacity, attraction to visually prominent landscape features and freshwater distribution to maximize survival, even without previous experience of the landscapes they encountered.

54 ENVIRONMENTAL SCIENCES↗

Geologic Heterogeneity Controls on Trapping and Migration of CO 2

When CO 2 is injected into sedimentary basins, the fate of the buoyant CO 2 will be determined by how it interacts with the underlying geologic heterogeneities. Here we geologically print a cross-bedded pattern using two different bead sizes, and then conduct flow experiments to observe buoyant flow pathways, migration speed, and immobilized volumes. The amount of buoyant phase trapped under the heterogeneities is observed to vary by two orders of magnitude, with the controlling parameter being the size contrast between the coarse and fine grains that make up the structure. Furthermore, the results allow an estimate of heterogeneity trapping, and show how CO 2 trapping in aquifers can be experimentally evaluated before injection.

58 GEOSCIENCES↗

On the Morphodynamics of a Wide Class of Large‐Scale Meandering Rivers: Insights Gained by Coupling LES With Sediment‐Dynamics

Abstract In meandering rivers, interactions between flow, sediment transport, and bed topography affect diverse processes, including bedform development and channel migration. Predicting how these interactions affect the spatial patterns and magnitudes of bed deformation in meandering rivers is essential for various river engineering and geoscience problems. Computational fluid dynamics simulations can predict river morphodynamics at fine temporal and spatial scales but have traditionally been challenged by the large scale of natural rivers. We conducted coupled large‐eddy simulation and bed morphodynamics simulations to create a unique database of hydro‐morphodynamic data sets for 42 meandering rivers with a variety of planform shapes and large‐scale geometrical features that mimic natural meanders. For each simulated river, the database includes (a) bed morphology, (b) three‐dimensional mean velocity field, and (c) bed shear stress distribution under bankfull flow conditions. The calculated morphodynamics results at dynamic equilibrium revealed the formation of scour and deposition patterns near the outer and inner banks, respectively, while the location of point bars and scour regions around the apexes of the meander bends is found to vary as a function of the radius of curvature of the bends to the width ratio. A new mechanism is proposed that explains this seemingly paradoxical finding. The high‐fidelity simulation results generated in this work provide researchers and scientists with a rich numerical database for morphodynamics and bed shear stress distributions in large‐scale meandering rivers to enable systematic investigation of the underlying phenomena and support a range of river engineering applications.

54 ENVIRONMENTAL SCIENCES↗

Thermodynamic constraints on the textural evolution of eucrite, EET 90020

Basaltic eucrites, which are possibly parts of the Vestan crust, formed as either lava flows or intrusions, and can offer insights into early crust formation. However most eucrites have experienced thermal metamorphism, which exacerbates the challenges of understanding these samples. A variety of petrogenetic models such as, partial melting of a primitive source, fractional crystallization of magmas emplaced in a primitive crust, and/or partial melting of a eucritic source coupled with melt mixing and assimilation have been proposed in order to explain observed petrologic and chemical characteristics of eucrites. EET 90020 is an unbrecciated eucrite that has experienced significant thermal metamorphism, with temperatures of metamorphic equilibration calculated to be ~840-1040°C. Its petrologic history remains contentious, in part due to differences in trace element analyses [10,17, this work], which has led to multiple metamorphic interpretations [8,10-11]. Here, we combined petrologic observations, chemical analyses, and thermodynamic modeling, to interpret micro-domain textures identified in EET 90020 and better constrain its petrologic history. Ultimately, the development of such textures is a direct result of the geologic processes operating on a young Vesta or similar asteroid. Sample description: We identified three textural domains in EET 90020 (Figure 1); (I) A coarse grain domain with granoblastic plagioclase and pyroxene, (II) a medium grain domain with curved grain boundaries between plagioclase and pyroxene, and (III) a fine grain domain dominated by tridymite that fills in interstitial space between spherical plagioclase. Major element chemistry in phases is consistent across domains. Pyroxene have distinctive high Ca lamellae (Wo40.92En28.1Fs31.0) forming from the low-Ca pigeonite host (Wo3.5En33.7Fs62.8). There are small amounts of fayalitic olivine along pyroxene/oxide grain boundaries, where pyroxenes have reacted with ilmenite/chromite clasts. Plagioclase is anorthitic (Avg ~An88), with little variation (An86-92.5). Trace element bulk rock analyses were collected via ICP-MS and individual mineral analyses with LA-ICP-MS (Figure 2). The bulk sample has an observable enrichment in light rare earth elements, with a notable depletion in Eu. Plagioclase is enriched in LREEs, depleted in HREEs, and has a positive Eu anomaly while pyroxene is enriched in HREEs with a negative Eu anomaly. Variations in trace element analyses is likely influenced by the presence of phosphates because are highly enriched in REEs and have a dramatic effect on the bulk domain compositions. Thermodynamic modeling: The software package, Perple_X, was used to calculate mineral phase equilibria over a range of conditions using a Gibbs free energy minimization approach [12]. Models used all major/minor elements except P2O5. Thermodynamic properties from [13] were used to constrain endmember phase stabilities. Activity models were used to describe mixing in phases with solid solution. Isochemical P-T phase diagrams were constructed for the bulk thin section, and the coarse, medium and fine grain domain compositions. Domain compositions were determined using microprobe analyses of phases identified in each domain and observed modal mineral abundancies. Thermodynamically stable pyroxene compositions were extracted from model results and compared to pyroxene compositions collected via EMPA, allowing us to calculate temperatures for metamorphic equilibrium. Results: Results that use the coarse domain composition (Fig. 3a) demonstrate overlap at T ~ 1020°C indicating high T equilibration. There was no overlap for the medium and fine grain domains, or the bulk composition (e.g., Fig. 3b) indicating that these are not equilibrium assemblages. These results were replicated using data from [8,20]. Discussion: The disequilibrium results from the bulk rock, fine grain and medium grain models imply that EET 90020 was modified during and/or after peak metamorphism (open system behavior). However, this is in contrast to the coarse domain where it appears as if equilibrium was maintained. We suggest that this conflict is explained by highly localized equilibrium occurring at millimeter length-scales, which has been observed in terrestrial metamorphism where aqueous fluid infiltrate [14] or melt loss occurs [15]. It is unlikely that aqueous alteration was significant in modifying the bulk composition of EET 90020, because it lacks hydrated minerals. However, the presence of melt is supported by the presence of an abundance of curved grain boundaries and spherical grains in the medium and fine grain domains This contrasts the coarse domain, where grain boundaries are angular. Given the evidence for disequilibrium in the medium and fine grain domains, it would be inappropriate to draw additional conclusions about textural evolution using thermodynamic models of those domains. However, modeling results of the coarse grain domain, where equilibrium was maintained, can provide useful insights into the geologic evolution of EET 90020. We approximate maximum metamorphic temperatures, using the Ca component in pyroxene, at ~1020°C (Fig. 4), which is consistent with previous two-pyroxene thermometry [11]. At this temperature, up to 10 vol % melt can be produced in the coarse grain domain, which is at the boundary of minimum melt needed in order to segregate and form a melt network [16]. Tridymite and plagioclase would be the first minerals to melt out during heating starting ~990°C. This is consistent with the observed melt textures formed by tridymite and plagioclase in the fine grain domain. We suggest that a partial melting model best explains the textural development of EET 90020. Upon heating, melt generated was either trapped, resulting in no net change in the localized rock composition, or migrated, resulting in disequilibrium between pyroxene and the surrounding matrix. A positive Eu anomaly in plagioclase indicates that all of the plagioclase was melted previously. This is consistent with previous studies that have suggested that EET 90020 represents a residual eucrite that experienced partial melting and subsequent melt loss [8]. We speculate that partial melting could have occurred when EET 90020 was heated in the asteroid’s lower crust or adjacent to an intrusion [7]. Future work will study other, texturally heterogeneous samples to see if EET 90020 presents a unique circumstance or whether crustal partial melting was ubiquitous on the eucrite asteroid.

Eucrites↗

Entropy Stabilization Effects and Ion Migration in 3D “Hollow” Halide Perovskites

A recently discovered new family of 3D halide perovskites with the general formula (A) 1–x (en) x (Pb) 1–0.7x (X) 3–0.4x (A = MA, FA; X = Br, I; MA = methylammonium, FA = formamidinium, en = ethylenediammonium) is referred to as “hollow” perovskites owing to extensive Pb and X vacancies created on incorporation of en cations in the 3D network. The “hollow” motif allows fine tuning of optical, electronic, and transport properties and bestowing good environmental stability proportional to en loading. To shed light on the origin of the apparent stability of these materials, we performed detailed thermochemical studies, using room temperature solution calorimetry combined with density functional theory simulations on three different families of “hollow” perovskites namely en/FAPbI 3 , en/MAPbI 3 , and en/FAPbBr 3 . We found that the bromide perovskites are more energetically stable compared to iodide perovskites in the FA-based hollow compounds, as shown by the measured enthalpies of formation and the calculated formation energies. The least stable FAPbI 3 gains stability on incorporation of the en cation, whereas FAPbBr 3 becomes less stable with en loading. This behavior is attributed to the difference in the 3D cage size in the bromide and iodide perovskites. Configurational entropy, which arises from randomly distributed cation and anion vacancies, plays a significant role in stabilizing these “hollow” perovskite structures despite small differences in their formation enthalpies. With the increased vacancy defect population, we have also examined halide ion migration in the FA-based “hollow” perovskites and found that the migration energy barriers become smaller with the increasing en content.

36 MATERIALS SCIENCE↗

Grain detachment and transport clogging during mineral dissolution in carbonate rocks with permeable grain boundaries

In this paper, we explore the effect of permeable grain boundaries on carbonate rock dissolution in order to improve our understanding of grain detachment and migration during reactive flow. To do so we investigated the effects of grain size and enhanced reactivity along grain boundaries on global dissolution kinetics. Variations of permeability and porosity were calculated, and exponential relationships were observed in fractured rocks. Our model employed a reactive transport framework based on the Darcy-Brinkman equation to simulate calcite dissolution in carbonate rocks composed of microporous grains and, included fluid transport along grain boundaries. The model includes fluid flow, solute transport by advection–diffusion, heterogeneous reaction between fluid and minerals and grain detachment with subsequent grain transport in macropores. The migration of solid particles due to dissolution was based on cluster analysis and local movement, and the results show that grain detachment can lead to significant decreases in permeability due to the clogging of transport pathways. Microporous media with smaller grain sizes (fine grains in this study) showed a higher average reaction rate than those with coarser grains. In addition, as the overall rates of geochemical processes are commonly affected by the presence of texture heterogeneities such as fractures, a single fracture (macropore) introduced into a microporous matrix composed of permeable grains and grain boundaries was modelled as a large channel connecting the inlet and outlet of the simulation domain. It was found that macropore clogging by grain detachment temporary decreased permeability, lowering the long-term global reaction rates. Lastly, we observed that increases in flow rate can reduce detachment and fracture clogging by reducing local dissolution along grain boundaries.

58 GEOSCIENCES↗

Ion Microprobe Measurements of Comet Dust and Implications for Models of Oxygen Isotope Heterogeneity in the Solar System

The oxygen isotopic compositions of anhydrous minerals in carbonaceous chondrites reflect mixing between a O-16-rich and O-17, O18-rich reservoir. The UV photodissociation of CO (i.e. selfshielding) has been proposed as a mass-independent mechanism for producing these isotopically distinct reservoirs. Self-shielding models predict the composition for the CO gas reservoir to be O-16-rich, and that the accreting primordial dust was in isotopic equilibrium with the gaseous reservoir [1, 2]. Self-shielding also predicts that cometary water, presumed to represent the O-17, O-18-rich reservoir, should be enriched in O-17 and O-18, with compositions of 200 -1000per mille, and that the interaction with this O-17, O-18-rich H2O reservoir altered the compositions of the primordial dust toward planetary values. The bulk composition of the solar nebula, which may be an approximation to the 16O-rich gaseous reservoir, has been constrained by the Genesis results [3]. However, material representing the O-17, O-18-rich end-member is rare [4], and dust representing the original accreting primordial dust has been challenging to conclusively identify in current collections. Anhydrous dust from comets, which accreted in the distal cold regions of the nebula at temperatures below approximately 30K, may provide the best opportunity to measure the oxygen isotope composition of primordial dust. Chondritic porous interplanetary dust particles (CP-IDPs) have been suggested as having cometary origins [5]; however, until direct comparisons with dust from a known comet parent body were made, link between CP-IDPs and comets remained circumstantial. Oxygen isotope analyses of particles from comet 81P/Wild 2 collected by NASA's Stardust mission have revealed surprising similarities to minerals in carbonaceous chondrites which have been interpreted as evidence for large scale radial migration of dust components from the inner solar nebula to the accretion regions of Jupiter- family comets [6]. These studies have been largely focused on the coarse-grained terminal particles extracted from aerogel collectors; hypervelocity capture into aerogel resulted in fine-grained material that was melted and intimately mixed with the SiO2 capture medium. Hypervelocity impacts into Al foils surrounding the aerogel tiles produced impact craters that captured material from the impactor without significant oxygen contamination, allowing for analysis of both the coarse and fine-grained components of the Wild 2 dust. To date, no particles with definitive hydrated mineralogy have been observed in Stardust samples, though this may be a result of alteration due to hypervelocity capture. High-carbon hydrated CS-IDPs have been suggested as resulting from the aqueous alteration of CP-IDPs [7], and may retain evidence for interaction with O-17, O-18-enriched "cometary" water predicted by CO self-shielding. Here we present results of oxygen isotope measurements of twelve Stardust foil craters and four C-rich hydrated IDPs [8, 9], and discuss implications for models of oxygen isotope heterogeneity in the early solar system.

Snead, C. J.↗

Thermal stability and coarsening of eutectic and near-eutectic Ni–Ce alloys

Ni–Ce alloys are currently being studied as a castable alternative to conventional Ni-based superalloys. To understand the evolution of microstructure and mechanical behavior at elevated temperatures, this study investigates the mechanism of coarsening behavior in eutectic and near eutectic Ni–Ce at 900 °C. The as-cast eutectic Ni–Ce consists of a combination of fine lamellar and rod eutectic colonies with coarser boundary regions. Upon annealing, continuous coarsening, via process of globularization, initiates at colony boundaries or primary dendrites where faults (termination and branches) in the lamellar structure are plentiful. Coarsening then proceeds by a combination of fault migration mechanism and lamellar boundary splitting, growing toward the center of the eutectic colonies with increasing annealing time. Coarsening near the center of a colony is extremely slow, indicating the eutectic microstructure itself is very stable. Here, the near-eutectic alloys containing primary dendrites coarsen and stabilize faster compared to the fully eutectic alloy. Moreover, an anomaly is observed in the hardness of the fully eutectic alloy after long exposure at elevated temperature compared to the near-eutectic alloys.

36 MATERIALS SCIENCE↗

Multi‐Layered Systems for Permanent Geologic Storage of CO 2 at the Gigatonne Scale

Abstract The effectiveness of Carbon Capture and Storage (CCS) as an imperative decarbonization technology relies on the sealing capacity of a fine‐grained caprock to permanently store CO 2 deep underground. Uncertainties in assessing the caprock sealing capacity increase with the spatial and temporal scales and may delay CCS deployment at the gigatonne scale. We have developed a computationally efficient transport model to capture the dynamics of basin‐wide upward CO 2 migration in a multi‐layered setting over geological time scales. We find that massive capillary breakthrough and viscous flow of CO 2 , even through pervasively fractured caprocks, are unlikely to occur and compromise the storage security. Potential leakage from the injection reservoir is hampered by repetitive layering of overlying caprocks. This finding agrees with geologic intuition and should be understandable by the public, contributing to the development of climate policies around this technology with increased confidence that CO 2 will be indefinitely contained in the subsurface.

58 GEOSCIENCES↗

Multiscale Dynamics of Reactive Fronts in the Subsurface

Understanding and predicting flow and reactive transport in rocks (i.e. geologic porous media) is critical to many technologies at the heart of the energy transition, including CO 2 sequestration and H2 storage. However, accurate modeling and prediction of these systems is very complex because physico-chemical processes that occur at very small spatial scales, i.e. in the pores of the rocks, can dramatically control the system performance at the field scale (km). For example, precipitation reactions at the pore-scale can lead to large permeability changes at the field scale and dramatically alter the migration of stored gases. Properly accounting for multi-scale coupling effects is critical to achieve predictivity and confidence in model outputs, which then can guide design and optimization at the system-scale. This can be achieved through the development of rigorous mathematical models that can appropriately account for fine-scale effects at the large scale. The final report of the Early Career award DE-SC0019075 “Multiscale dynamics of reactive fronts in the subsurface” summarizes the mathematical, numerical and experimental advancements to study and predict reactive transport in geologic porous media across scales.

58 GEOSCIENCES↗

Variable-density effects in incompressible non-buoyant shear-driven turbulent mixing layers

The asymmetries that arise when a mixing layer involves two miscible fluids of differing densities are investigated using incompressible (low-speed) direct numerical simulations. The simulations are performed in the temporal configuration with very large domain sizes, to allow the mixing layers to reach prolonged states of fully turbulent self-similar growth. Imposing a mean density variation breaks the mean symmetry relative to the classical single-fluid temporal mixing layer problem. Unlike prior variable-density mixing layer simulations in which the streams are composed of the same fluids with dissimilar thermodynamic properties, the density variations are presently due to compositional differences between the fluid streams, leading to different mixing dynamics. Variable-density (non-Boussinesq) effects introduce strong asymmetries in the flow statistics that can be explained by the strongest turbulence increasingly migrating to the lighter fluid side as free-stream density difference increases. Interface thickness growth rates also reduce, with some thickness definitions particularly sensitive to the corresponding changes in alignment between density and streamwise velocity profiles. Additional asymmetries in the sense of statistical distributions of densities at a given position within the mixing layer reveal that fine scales of turbulence are preferentially sustained in lighter fluid, which also is where fastest mixing occurs. These effects influence statistics involving density fluctuations, which have important implications for mixing and more complicated phenomena that are sensitive to the mixing dynamics, such as combustion.

42 ENGINEERING↗