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

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176 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Oxidized Sulfur Species in Slab Fluids as a Source of Enriched Sulfur Isotope Signatures in Arcs

Recycling of oxidized sulfur from subducting slabs to the mantle wedge provides simultaneous explanations for the elevated oxygen fugacity (fO 2 ) in subduction zones, their high hydrothermal and magmatic sulfur outputs, and the enriched sulfur isotopic signatures (i.e., δ 34 S > 0‰) of these outputs. However, a quantitative understanding of the abundance and speciation of sulfur in slab fluids consistent with high pressure experiments is lacking. Here we analyze published experimental data for anhydrite solubility in H 2 O-NaCl solutions to calibrate a high-pressure aqueous speciation model of sulfur within the framework of the deep earth water model. We characterize aqueous complexes, required to account for the high experimental anhydrite solubilities. We then use this framework to predict the speciation and solubility of sulfur in chemically complex fluids in equilibrium with model subducting mafic and ultramafic lithologies, from 2 to 3 GPa and 400 to 800°C at log fO 2 from FMQ-2 to FMQ+4. We show that sulfate complexes of calcium and sodium markedly enhance the stability of sulfate in moderately oxidized fluids in equilibrium with pyrite at fO 2 conditions of FMQ+1 to +2, causing large sulfur isotope fractionations up to 10‰ in the fluid relative to the slab. Such fluids could impart oxidized, sulfur-rich and high δ 34 S signatures to the mantle wedge that are ultimately transferred to arc magmas, without the need to invoke 34 S-rich subducted lithologies.

58 GEOSCIENCES↗
DOE OSTI2025

A tale of two planets: Disparate evolutionary models for Mars inferred from radiogenic isotope compositions of Martian meteorites

The radiogenic isotopic compositions of basaltic Martian meteorites (shergottites) and clinopyroxene/olivine cumulate meteorites (nakhlite/chassignites) are used to define the global evolution of Mars. However, the two main groups of meteorites demonstrate that their sources underwent divergent styles of magmatic evolution. The shergottites portray a planet that differentiated ~4.52 billion years ago via solidification of a magma ocean, producing incompatible element-depleted and -enriched reservoirs that remained isolated until melt production. In contrast, the reservoir from which the nakhlite/chassignites derive may have formed earlier, produced melts that fractionated Sm/Nd and Hf/W differently, was compositionally less variable, and experienced a significantly more complex history following primordial differentiation than the shergottite sources. The disparate histories recorded by these two groups of meteorites elucidate important questions that could be addressed by acquiring additional samples. Obtaining samples that shared the isotopic systematics of the shergottites would provide confidence that extrapolating the primordial differentiation history of Mars from shergottite radiogenic isotope systematics is reasonable. Returned samples from Mars will also constrain the physical locations of the meteorite source regions, providing insights into the general structure of the Martian mantle. In addition, they will help constrain the phases present in the martian mantle during melting and the conditions under which they are stable. Finally, identifying an evolved lithology that satisfies the geochemical and isotopic constraints placed on the incompatible element-enriched endmember observed in the shergottites would define the nature of magmatic evolution on Mars and whether it is more akin to processes on the Earth or the Moon.

Mars↗
DOE OSTI2021

PRISM3D: a 3-D reference seismic model for Iberia and adjacent areas

SUMMARY We present PRISM3D, a 3-D reference seismic model of P- and S-wave velocities for Iberia and adjacent areas. PRISM3D results from the combination of the most up-to-date earth models available for the region. It extends horizontally from 15°W to 5°E in longitude, 34°N to 46°N in latitude and vertically from 3.5 km above to 200 km below sea level, and is modelled on a regular grid with 10 and 0.5 km of grid node spacing in the horizontal and vertical directions, respectively. It was designed using models inferred from local and teleseismic body-wave tomography, earthquake and ambient noise surface wave tomography, receiver function analysis and active source experiments. It includes two interfaces, namely the topography/bathymetry and the Mohorovičić (Moho) discontinuity. The Moho was modelled from previously published receiver function analysis and deep seismic sounding results. To that end we used a probabilistic surface reconstruction algorithm that allowed to extract the mean of the Moho depth surface along with its associated standard deviation, which provides a depth uncertainty estimate. The Moho depth model is in good agreement with previously published models, although it presents slightly sharper gardients in orogenic areas such as the Pyrenees or the Betic-Rif system. Crustal and mantle P- and S-wave wave speed grids were built separately on each side of the Moho depth surface by weighted average of existing models, thus allowing to realistically render the speed gradients across that interface. The associated weighted standard deviation was also calculated, which provides an uncertainty estimation on the average wave speed values at any point of the grid. At shallow depths (<10 km), low P and S wave speeds and high VP/VS are observed in offshore basins, while the Iberian Massif, which covers a large part of western Iberia, appears characterized by a rather flat Moho, higher than average VP and VS and low VP/VS. Conversely, the Betic-Rif system seems to be associated with low VP and VS, combined with high VP/VS in comparison to the rest of the study area. The most prominent feature of the mantle is the well known high wave speed anomaly related to the Alboran slab imaged in various mantle tomography studies. The consistency of PRISM3D with previous work is verified by comparing it with two recent studies, with which it shows a good general agreement.The impact of the new 3-D model is illustrated through a simple synthetic experiment, which shows that the lateral variations of the wave speed can produce traveltime differences ranging from –1.5 and 1.5 s for P waves and from –2.5 and 2.5 s for S waves at local to regional distances. Such values are far larger than phase picking uncertainties and would likely affect earthquake hypocentral parameter estimations. The new 3-D model thus provides a basis for regional studies including earthquake source studies, Earth structure investigations and geodynamic modelling of Iberia and its surroundings.

Arroucau, P.↗
DOE OSTI2025

Geologic hydrogen: From natural occurrences to anthropogenic generation – A review of fundamentals, potential, challenges and prospects

Growing demand for hydrogen is exposing the environmental and economic limits of reforming-based and carbon-managed supply chains, while the scale-up of electrolytic capacity remains capital-constrained. Geologic hydrogen, defined as molecular H₂ generated and stored within the Earth's crust offers a complementary, potentially lower-cost resource, yet exploration is still ad hoc. This review (1) revisits a global inventory of confirmed hydrogen seeps and subsurface occurrences; (2) analyzes the controlling reactions, migration pathways, and trapping conditions governing these occurrences; (3) proposes a process-based geologic hydrogen system concept analogous to, yet distinct from, the petroleum system; and (4) evaluates potential geologic hydrogen systems within the United States as a representative case study. Here, we contrast natural systems powered by serpentinization, mantle degassing or radiolysis with anthropogenic systems that stimulate the same reactions or convert in-situ hydrocarbons. Stable hydrogen accumulations require generation rates that outpace combined physical, chemical and microbial losses; the Bourakébougou field (Mali) exemplifies a self-recharging, free-gas reservoir sustained by meteoric-water serpentinization beneath an efficient caprock. Prospective geologic hydrogen resources are likely to occur in regions where iron-rich lithologies, deep-seated faults, and low-permeability sealing formations coexist. Applying this principle, we highlight three promising hydrogen play types in U.S. geological terrains: ophiolite belts (Appalachian and Californian regions), the Midcontinent Rift and the Lake Superior banded‑iron formations. Multiphysics numerical models and positive-unlabeled machine-learning workflows help to accelerate play screening and de-risk future production; yet, reaction kinetics, stimulation strategies, and full techno-economic and life-cycle assessments remain pivotal knowledge gaps.

Anthropogenic hydrogen generation↗
DOE OSTI2024

Formation and interior evolution of Mars

The formation and earliest evolution of Mars involved core formation followed by magma ocean solidification and primordial crust formation. Here, in this study, we review the formation and early interior evolution of Mars as understood through meteorite studies. Martian meteorites exhibit ages that span the entire history of the Solar System, but most derive from compositionally distinct sources that formed early in the history of Mars. Geochemical and isotopic studies of Martian meteorites have provided critical information on Mars’ building blocks, bulk composition, and its differentiation into a core, mantle and crust. Radiogenic isotope systems provide vital insights into the petrogenesis of Martian meteorite source regions and into the nature and timescales of primordial differentiation on Mars. Application of short-lived isotope chronometers to Martian meteorites indicates that the Martian core formed early within <10 million years (Ma), while magma ocean differentiation and crust formation occurred soon thereafter, within the first tens of Ma of Solar System history. Bulk silicate Mars is variably depleted in moderately volatile elements relative to chondrites, but to a lesser extent than the Earth. The nature and evolution of more volatile elements and volatile species on Mars (e.g., H 2 O, C, S, halogens) remains an active area of investigation, but overall suggest that Mars is more enriched in volatile elements than the Moon but less than the Earth. While geochemical exploration of Mars coupled with new discoveries of Martian meteorites has provided a wealth of information, the compositional and lithologic diversity on Mars significantly exceeds that seen in the suites of Martian meteorites currently studied. This implies that our current perspective on the planet's evolution is very likely biased, highlighting the need for future sample return missions to Mars.

Kruijer, Thomas S.↗
DOE OSTI2021

Whole-lithosphere shear during oblique rifting

Processes controlling the formation of continental whole-lithosphere shear zones are debated, but their existence requires that the lithosphere is mechanically coupled from base to top. We document the formation of a dextral, whole-lithosphere shear zone in the Death Valley region (DVR), southwest United States. Dextral deflections of depth gradients in the lithosphere-asthenosphere boundary and Moho are stacked vertically, defining a 20–50-km-wide, lower lithospheric shear zone with ~60 km of shear. These deflections underlie an upper-crustal fault zone that accrued ~60 km of dextral slip since ca. 8–7 Ma, when we infer that whole-lithosphere shear began. This dextral offset is less than net dextral offset on the upper-crustal fault zone (~90 km, ca. 13–0 Ma) and total upper-crustal extension (~250 km, ca. 16–0 Ma). We show that, before ca. 8–7 Ma, weak middle crust decoupled upper-crustal deformation from deformation in the lower crust and mantle lithosphere. Between 16 and 7 Ma, detachment slip thinned, uplifted, cooled, and thus strengthened the middle crust, which is exposed in metamorphic core complexes collocated with the whole-lithosphere shear zone. Midcrustal strengthening coupled the layered lithosphere vertically and therefore enabled whole-lithosphere dextral shear. Where thick crust exists (as in pre–16 Ma DVR), midcrustal strengthening is probably a necessary condition for whole-lithosphere shear.

58 GEOSCIENCES↗
DOE OSTI2021

The Indian Ocean, its supra-subduction history, and implications for ophiolites

We report Ophiolite complexes represent fragments of ocean crust and mantle formed at spreading centers and emplaced on land. The setting of their origin, whether at mid-ocean ridges, back-arc basins, or forearc basins has been debated. Geochemical classification of many ophiolite extrusive rocks reflect an approach interpreting their tectonic environment as the same as rocks with similar compositions formed in various modern oceanic settings. This approach has pointed to the formation of many ophiolitic extrusive rocks in a supra-subduction zone (SSZ) environment. Paradoxically, structural and stratigraphic evidence suggests that many apparent SSZ-produced ophiolite complexes are more consistent with mid-ocean ridge settings. Compositions of lavas in the southeastern Indian Ocean resemble those of modern SSZ environments and SSZ ophiolites, although Indian Ocean lavas clearly formed in a mid-ocean ridge setting. These facts suggest that an interpretation of the tectonic environment of ophiolite formation based solely on their geochemistry may be unwarranted. New seismic images revealing extensive Mesozoic subduction zones beneath the southern Indian Ocean provide one mechanism to explain this apparent paradox. Cenozoic mid-ocean-ridge–derived ocean floor throughout the southern Indian Ocean apparently formed above former sites of subduction. Compositional remnants of previously subducted mantle in the upper mantle were involved in generation of mid-ocean ridge lavas. The concept of historical contingency may help resolve the ambiguity on understanding the environment of origin of ophiolites. Many ophiolites with “SSZ” compositions may have formed in a mid-ocean ridge setting such as the southeastern Indian Ocean.

58 GEOSCIENCES↗
DOE OSTI2021

Effect of tectonic processes on biosphere–geosphere feedbacks across a convergent margin

The subsurface is among Earth’s largest biomes, but the extent to which microbial communities vary across tectonic plate boundaries or interact with subduction-scale geological processes remains unknown. Here we compare bacterial community composition with deep-subsurface geochemistry from 21 hot springs across the Costa Rican convergent margin. We find that cation and anion compositions of the springs reflect the dip angle and position of the underlying tectonic structure and also correlate with the bacterial community. Co-occurring microbial cliques related to cultured chemolithoautotrophs that use the reverse tricarboxylic acid cycle (rTCA) as well as abundances of metagenomic rTCA genes correlate with concentrations of slab-volatilized carbon. This, combined with carbon isotope evidence, suggests that fixation of slab-derived CO2 into biomass may support a chemolithoautotrophy-based subsurface ecosystem. We calculate that this forearc subsurface biosphere could sequester 1.4 × 10 9 to 1.4 × 10 10 mol of carbon per year, which would decrease estimates of the total carbon delivered to the mantle by 2 to 22%. Furthermore, based on the observed correlations, we suggest that distribution and composition of the subsurface bacterial community are probably affected by deep tectonic processes across the Costa Rican convergent margin and that, by sequestering carbon volatilized during subduction, these chemolithoautotrophic communities could in turn impact the geosphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Accelerating full-waveform inversion using source stacking: synthetic experiments at the global scale in a realistic 3-D earth model

SUMMARY The spectral element method is currently the method of choice for computing accurate synthetic seismic wavefields in realistic 3-D earth models at the global scale. However, it requires significantly more computational time, compared to normal mode-based approximate methods. Source stacking, whereby multiple earthquake sources are aligned on their origin time and simultaneously triggered, can reduce the computational costs by several orders of magnitude. We present the results of synthetic tests performed on a realistic radially anisotropic 3-D model, slightly modified from model SEMUCB-WM1 with three component synthetic waveform ‘data’ for a duration of 10 000 s, and filtered at periods longer than 60 s, for a set of 273 events and 515 stations. We consider two definitions of the misfit function, one based on the stacked records at individual stations and another based on station-pair cross-correlations of the stacked records. The inverse step is performed using a Gauss–Newton approach where the gradient and Hessian are computed using normal mode perturbation theory. We investigate the retrieval of radially anisotropic long wavelength structure in the upper mantle in the depth range 100–800 km, after fixing the crust and uppermost mantle structure constrained by fundamental mode Love and Rayleigh wave dispersion data. The results show good performance using both definitions of the misfit function, even in the presence of realistic noise, with degraded amplitudes of lateral variations in the anisotropic parameter ξ. Interestingly, we show that we can retrieve the long wavelength structure in the upper mantle, when considering one or the other of three portions of the cross-correlation time series, corresponding to where we expect the energy from surface wave overtone, fundamental mode or a mixture of the two to be dominant, respectively. We also considered the issue of missing data, by randomly removing a successively larger proportion of the available synthetic data. We replace the missing data by synthetics computed in the current 3-D model using normal mode perturbation theory. The inversion results degrade with the proportion of missing data, especially for ξ, and we find that a data availability of 45 per cent or more leads to acceptable results. We also present a strategy for grouping events and stations to minimize the number of missing data in each group. This leads to an increased number of computations but can be significantly more efficient than conventional single-event-at-a-time inversion. We apply the grouping strategy to a real picking scenario, and show promising resolution capability despite the use of fewer waveforms and uneven ray path distribution. Source stacking approach can be used to rapidly obtain a starting 3-D model for more conventional full-waveform inversion at higher resolution, and to investigate assumptions made in the inversion, such as trade-offs between isotropic, anisotropic or anelastic structure, different model parametrizations or how crustal structure is accounted for.

Geochemistry & Geophysics↗
DOE OSTI2023

High-pressure behavior of 3.65 Å phase: Insights from Raman spectroscopy

Abstract The 3.65 Å phase [MgSi(OH)6] is a hydrous phase that is predicted to be stable in a simplified MgO-SiO2-H2O (MSH) ternary system at pressures exceeding 9 GPa. Along cold subduction zones, it is likely to transport water, bound in its crystalline lattice, into the Earth’s interior. The 3.65 Å phase consists of Mg and Si octahedral sites attached to the hydroxyl group that forms a hydrogen bond and is predicted to undergo pressure-induced symmetrization of the hydrogen bond. Therefore, in this study, we investigate the high-pressure behavior of the 3.65 Å phase using Raman spectroscopy. We have conducted five distinct compressions up to ~60 GPa using two different pressure-transmitting media—alcohol mixture and neon. At ambient conditions, we identified vibrational modes using complementary first-principles simulations based on density functional perturbation theory. Upon compression, we note that the first derivative of the vibrational modes in the lattice region stiffens, i.e., b1lattice > 0. In contrast, the hydroxyl region softens, i.e., b1OH > 0. This is indicative of the strengthening of hydrogen bonding upon compression. We noticed a significant broadening of vibrational modes related to hydroxyl groups that are indicative of proton disorder. However, within the maximum pressures explored in this study, we did not find evidence for pressure-induced symmetrization of the hydrogen bonds. We used the pressure derivative of the vibrational modes to determine the ratio of the bulk moduli and their pressure derivative. We note that the smaller bulk moduli of hydrous phases compared to the major mantle phases are compensated by significantly larger pressure derivatives of the bulk moduli for the hydrous phases. This leads to a significant reduction in the elasticity contrast between hydrous and major mantle phases. Consequently, the detection of the degree of mantle hydration is likely to be challenging at greater depths.

Geochemistry & Geophysics↗
DOE OSTI2022

Report on Depth-Dependent Q from Frequency-Dependent Lg Q

As a phase that travels through the crustal waveguide, Lg samples the velocity and attenuation structure of the crust. We have developed methods (Pasyanos et al., 2009a; Pasyanos et al., 2009b) to estimate Qp and Qs of the crust and upper mantle from the amplitudes of regional phases, and have applied it to a number of regions around the world, and over a broad frequency band (0.5 - 10 Hz). In prior attenuation modeling, Lg phase amplitudes are able to effectively distinguish the high Q (low attenuation) of old stable cratonic crust from the low Q (high attenuation) of more recently active tectonic regions. For a variety of purposes (e.g. waveform modeling, seismic hazard, etc.), it is useful to have more information on the depth-dependence of the Q structure in the crust. One obvious candidate for doing this is using the frequency-dependence information of Lg Q, in the manner of surface waves. Unfortunately, however, Lg samples the whole of the crust without much differentiation with respect to frequency that is characteristic of fundamental mode surface waves. Lg is generally thought to be the sum of supercritically reflected S-waves trapped in the crustal waveguide (e.g. Xie and Lay, 1994). The phase can also be modeled as a superposition of surface waves. At lower frequencies, it is primarily composed of fundamental and low-order surface waves, while at higher frequencies, it is comprised purely of many high-order surface waves. The low-order surface waves that comprise Lg in low frequency bands (< 1 Hz) are preferentially sensitive to shallow earth structure, such as sedimentary basins and upper crust, while high-order surface waves have a more homogenized sensitivity to the whole crust. Furthermore, at the lower frequencies, we might expect to see some differentiation in the sensitivity between early Lg (herein referred to as Lg1) and late Lg (referred to as Lg2) where the latter is comprised of lower-order surface waves and, hence, shallower structure. Therefore, we might expect to see the signature of shallow features, primarily the lower Q of sediments as compared to crystalline crust, at lower frequencies and in later arriving Lg amplitudes.

58 GEOSCIENCES↗
DOE OSTI2022

Combining different 3-D global and regional seismic wave propagation solvers towards box tomography in the deep Earth

SUMMARY In previous publications, we presented a general framework, which we called ‘box tomography’, that allows the coupling of any two different numerical seismic wave propagation solvers, respectively outside and inside a target region, or ‘box’. The goal of such hybrid wavefield computations is to reduce the cost of computations in the context of full-waveform inversion for structure within the target region, when sources and/or receivers are located at large distances from the box. Previously, we had demonstrated this approach with sources and receivers outside the target region in a 2-D acoustic spherical earth model, and demonstrated and applied this methodology in the 3-D spherical elastic Earth in a continental scale inversion in which all stations were inside the target region. Here we extend the implementation of the approach to the case of a 3-D global elastic earth model in the case where both sources and stations are outside the box. We couple a global 3-D solver, SPECFEM3D_GLOBE, for the computation of the wavefield and Green’s functions in a reference 3-D model, with a regional 3-D solver, RegSEM, for the computation of the wavefield within the box, by means of time-reversal mirrors. We briefly review key theoretical aspects, showing in particular how only the displacement is needed to be stored at the boundary of the box. We provide details of the practical implementation, including the geometrical design of the mirrors, how we deal with different sizes of meshes in the two solvers, and how we address memory-saving through the use of B-spline compression of the recorded wavefield on the mirror. The proposed approach is numerically efficient but also versatile, since adapting it to other solvers is straightforward and does not require any changes in the solver codes themselves, as long as the displacement can be recovered at any point in time and space. We present benchmarks of the hybrid computations against direct computations of the wavefield between a source and an array of stations in a realistic geometry centred in the Yellowstone region, with and without a hypothetical plume within the ‘box’, and with a 1-D or a 3-D background model, down to a period of 20 s. The ultimate goal of this development is for applications in the context of imaging of remote target regions in the deep mantle, such as, for example, Ultra Low Velocity Zones.

Geochemistry & Geophysics↗
DOE OSTI2023

Hillslope-Channel Transitions and the Role of Water Tracks in a Changing Permafrost Landscape

The Arctic is experiencing rapid climate change, and the effect on hydrologic processes and resulting geomorphic changes to hillslopes and channels is unclear because we lack quantitative models and theory for rapid changes resulting from thawing permafrost. Here, the presence of permafrost modulates water flow and the stability of soil-mantled slopes, implying that there should be a signature of permafrost processes, including warming-driven disturbance, in channel network extent. To inform understanding of hillslope-channel dynamics under changing climates, we examined soil-mantled hillslopes within a ~300 km 2 area of the Seward Peninsula, western Alaska, where discontinuous permafrost is particularly susceptible to thaw and rapid landscape change. In this study, we pair high-resolution topographic and satellite data to multi-annual observations of InSAR-derived surface displacement over a 5-year period to quantify spatial variations in topographic change across an upland landscape. We find that neither the basin slope nor the presence of knickzones controls the magnitude of recent surface displacements within the study basin, as may be expected under conceptual models of temperate hillslope evolution. Rather, the highest displacement magnitudes tended to occur at the broad hillslope-channel transition zone. In this study area, this zone is occupied by water tracks, which are zero-order ecogeomorphic features that concentrate surface and subsurface flow paths. Our results suggest that water tracks, which appear to occupy hillslope positions between saturation and incision thresholds, are vulnerable to warming-induced subsidence and incision. We hypothesize that gullying within water tracks will outpace infilling by hillslope processes, resulting in the growth of the channel network under future warming.

58 GEOSCIENCES↗