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DOE OSTI2021

Numerical and Analytical Modeling of Flow Partitioning in Partially Saturated Fracture Networks

Infiltration processes in fractured-porous media remain a crucial, yet not very well understood component of recharge and vulnerability assessment. Under partially-saturated conditions flows in fractures, percolating fracture networks, and fault zones contribute to the fastest spectrum of infiltration velocities via preferential pathways. Specifically, the partitioning dynamics at fracture intersections determine the magnitude of flow fragmentation into vertical and horizontal components and hence the bulk flow velocity and dispersion of fracture networks. In this work, we derive an approximate analytical solution for the partitioning process and validate it using smoothed particle hydrodynamics simulations. The developed transfer function is conceptually based on simulation results and laboratory experiments carried out in previous works. It allows to efficiently simulate flow through fracture networks with simple cubic structure and arbitrary number of fractures and aperture sizes via linear response theory and convolution of a given input signal. We derive a non-dimensional bulk flow velocity ($\widetilde{v}$) and dispersion coefficient ($\widetilde{D}$) to characterize fracture networks in terms of dimensionless horizontal and vertical time scales $\tau_m$ and $\tau_0$. The dispersion coefficient is shown to strongly depend on the horizontal time scale and converges towards a constant value of $0.08$ within reasonable fluid and geometrical parameter ranges, while the non-dimensional velocity exhibits a characteristic $\widetilde{v} \sim \tau_m^{-1/2}$ scaling. Given that hydraulic information is often only available at limited places within (fractured-porous) aquifer system, such as boreholes or springs, our study intends to provide a rudimentary analytical concept to potentially reconstruct internal fracture network geometries from external boundary information, e.g., the dispersive properties of discharge (groundwater level fluctuations).

42 ENGINEERING↗

NASA NTRS1975

LUMIS: A Land Use Management Information System for urban planning

The Land Use Management Information System (LUMIS) consists of a methodology of compiling land use maps by means of air photo interpretation techniques, digitizing these and other maps into machine-readable form, and numerically overlaying these various maps in two computer software routines to provide land use and natural resource data files referenced to the individual census block. The two computer routines are the Polygon Intersection Overlay System (PIOS) and an interactive graphics APL program. A block referenced file of land use, natural resources, geology, elevation, slope, and fault-line items has been created and supplied to the Los Angeles Department of City Planning for the City's portion of the Santa Monica Mountains. In addition, the interactive system contains one hundred and seventy-three socio-economic data items created by merging the Third Count U.S. Census Bureau tapes and the Los Angeles County Secured Assessor File. This data can be graphically displayed for each and every block, block group, or tract for six test tracts in Woodland Hills, California. Other benefits of LUMIS are the knowledge of air photo availability, flight pattern coverage and frequencies, and private photogrammetry companies flying Southern California, as well as a formal Delphi study of relevant land use informational needs in the Santa Monicas.

Paul, C. K.↗

NASA NTRS1992

Magellan stereo images and Venusian geology

Areas of Venus imaged by Magellan radar with multiple viewing conditions provide unique data that will contribute to the solution of venusian geologic problems and provide a basis for quantitative comparison of venusian landforms with those on other planetary bodies. Three sets of images with different viewing conditions have been acquired: (1) left-looking with variable incidence angles (cycle 1 profile), (2) right-looking with nearly constant incidence angles (cycle 2 profile), and (3) left-looking with variable incidence angles that are almost always smaller than those in (1) (cycle 3 profiles). The unique data provided by paired images of the same scene with different incidence angles arises from image displacements caused by the relief of individual landforms at scales comparable to the ground-range and azimuth resolutions of the images. There are two aspects of the data: (1) Stereopsis achieved by simultaneous viewing of paired left-looking images of the same scene permits three-dimensional perception and interpretation of the morphologies of landforms at resolutions much finer than the altimetry footprints. (2) Measurements of differences of image displacements (parallax) on paired images with known imaging geometries provide quantitative estimates of the relief and shapes of landforms. The potential scientific contributions of the data can be grouped into two interrelated classes: (A) geologic mapping, analysis, and interpretation and (B) topical studies that involve topographic measurements. Stereopsis, without quantitative measurements, enhances geologic mapping, analysis, and interpretation of the rock units of Venus to a degree that cannot be overestimated. In geologic mapping, assemblages of landforms, assessments of backscatter and variations in backscatter, and fine-scale topography are used to define and characterize geologic map units that represent laterally continuous deposits or rock units. Stereopsis adds the important dimension of local relief for characterization of geologic units at a scale that is not possible with Magellan altimetry or products derived from the altimetry. Relative ages of the geologic units are determined using the well-known principles of superposition and intersection. Here, the perception of relief is invaluable because superposition relations among the geological units are more readily and clearly established. The recognition of folds, faults, and fault systems, regardless of their orientations, is facilitated with stereopsis so that sequences of deformation of the geologic units can be determined and structural analyses vastly improved. Shapes of landforms are readily perceived so that they can be properly interpreted. The end result of the mapping, analyses, and interpretations is a geologic history of Venus that includes the sequences of formation and deformation of various geologic units. Measurements of relief at the finest scale possible are necessary for numerous topical studies. Standard altimetry will provide the necessary information on the relief of most large landforms, but it tends to underestimate the relief of small landforms and distorts their shapes. Although special processing of the altimeter echoes improves the estimates of the relief and shapes of some landforms, there are uncertainties in the interpretations of the echoes. Examples of topical studies requiring measurements of relief are given.

Moore, H. J.↗

DOE OSTI2025

A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical Qubits

The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource requirements for simulating quantum systems, quantum chemistry has long been recognized as a natural candidate for quantum computation. This perspective focuses on identifying scientifically meaningful use cases where early fault-tolerant quantum computers, which are considered to be equipped with approximately 25-100 logical qubits, could deliver tangible impact. While recent advances in classical computing have pushed the boundaries of tractable simulations to unprecedented scales, this logical-qubit regime represents the first window where quantum devices can pursue qualitatively distinct strategies, such as polynomial-scaling phase estimation, direct simulation of quantum dynamics, and active-space embedding, that remain challenging for classical solvers, such as multireference charge-transfer and conical-intersection states central to photochemistry and materials design. We highlight near-term opportunities in algorithm and software design, discuss representative chemical problems suited for quantum acceleration, and propose strategic roadmaps and collaborative pathways for advancing practical quantum utility in quantum chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Characterizing the uppermost 100 m structure of the San Jacinto fault zone southeast of Anza, California, through joint analysis of geological, topographic, seismic and resistivity data

We present results from complementary geological, topographic, seismic and electrical resistivity surveys at the Sagebrush Flat (SGB) site along the Clark fault (CF) strand of the San Jacinto fault zone trifurcation area southeast of Anza, California. Joint interpretation of these data sets, each with unique spatiotemporal sensitivities, allow us to better characterize the shallow (<100 m) fault zone at this structurally complex site. Geological mapping at the surface shows the CF has three main subparallel strands within a <100 m zone with varying degrees of rock damage. These strands intersect units of banded gneiss and tonalite, and various sedimentary units. Near the surface, the weathered but more intact tonalite and gneiss to the southwest have relatively high VP. The low-lying flat sedimentary basins around the two southwestern-most CF strands and elevated damaged gneiss to the northeast have lowest VP <500 m s–1. The high relief of the northeast gneiss unit may in part be explained by its extensive damage and inferred increased relative rock uplift. Resistivity imaging shows the unconsolidated dry basin sediments (maximum >1300 Ohm.m) contrasted against the compacted fine-grained (potentially wet) materials within the CF core and the Bautista Formation (minimum <40 Ohm.m), which is slightly elevated above the flat basins. The inverse relationship between VP (increases) and resistivity (decreases) in the uppermost ~15 m can be characterized as log–log linear with slopes of –2.6 to –4. At depths >30 m, the velocity heterogeneity near the surface merges into larger-scale structures that are generally slower on the northeast side of the CF core compared to the southwest side (as much as ~40 per cent reduction in average VP). A previous study revealed a 20–37 per cent variability in peak ground velocities across the SGB site from local earthquakes. The upper end of that range is associated with the near-surface unconsolidated sedimentary basins and northeast damaged gneiss unit. Preliminary analysis of time-dependent topography mostly shows effects of changing vegetation and anthropogenic activity.

Geochemistry & Geophysics↗

NASA NTRS1986

Dislocation mechanism based model for stage II fatigue crack propagation rate

Repeated plastic deformation, which of course depends on dislocation mechanism, at or near the crack tip leads to the fatigue crack propagation. By involving the theory of thermally activated flow and the cumulative plastic strain criterion, an effort is made here to model the stage II fatigue crack propagation rate in terms of the dislocation mechanism. The model, therefore, provides capability to ascertain: (1) the dislocation mechanism (and hence the near crack tip microstructures) assisting the crack growth, (2) the relative resistance of dislocation mechanisms to the crack growth, and (3) the fracture surface characteristics and its interpretation in terms of the dislocation mechanism. The local microstructure predicted for the room temperature crack growth in copper by this model is in good agreement with the experimental results taken from the literature. With regard to the relative stability of such dislocation mechanisms as the cross-slip and the dislocation intersection, the model suggests an enhancement of crack growth rate with an ease of cross-slip which in general promotes dislocation cell formation and is common in material which has high stacking fault energy (produces wavy slips). Cross-slip apparently enhances crack growth rate by promoting slip irreversibility and fracture surface brittleness to a greater degree.

Mazumdar, P. K.↗

NASA NTRS1990

The origin of fluvial valleys and early geologic history, Aeolis Quadrangle, Mars

A valley genesis model of the southern Aeolis Quadrangle, eastern Mars, is proposed. In response to widespread effusive volcanism in interstratified, ice-reach terrains, local subsidence occurred along fractures/faults, and produced scarps that intersected local aquifers. Heated spring discharges issuing from these scarps may have carved the valleys through a combination of downvalley water, ice, and debris flows, and headward erosion along stratal discontinuities and individual conduit faults and fractures. Fifty-six asymmetric scarps or ridges that are probable thrust faults are mapped. The faults exhibit an orientation vector mean of N 63 deg W +/- 11 deg and they transect the lava plains and the older plateau sequence units. The vector mean for the 264 valleys mapped is N 48 deg W +/- 12 deg, with a larger dispersion about the mean. The similar orientations displayed by thrust faults and valley axes suggest that valley locations are partly controlled by preexisting thrust faults and fracture systems.

Brakenridge, G. Robert↗

NASA NTRS1972

Identification of geostructures of continental crust, particularly as they relate to mineral-resource evaluation

The authors have identified the following significant results. As a precursor to the ERTS-1 investigation, the spatial relationship of geostructures seen on Nimbus IDCS photographs to the distribution of mineralized areas in Alaska and western Canada was analyzed to determine the possible metallogenic significance of the geostructures. In Canada, mercury and porphyry molybdenum deposits are closely associated with strong northwest-trending fault systems; the development of mineralized regions seems related to major crustal zones or fractures trending southwestward across the Cordillera from the Precambrian shield. In Alaska, comparison of the northeast- and northwest-trending set of possible crustal structures shown on the Nimbus photo, with the distribution of known mineral deposits suggests a similar relationship. The mineralized region of massive sulfides in Prince William Sound and upper Copper River areas and of porphyry coppers in the Nabesna area forms a broad northeast-trending belt possibly related to the Minto Arch on the Shield. The belt of metalliferous deposits in the western Alaska Range follows a comparable northeast trend. Mercury deposits, suggested by many to be fault-controlled, together with most tin and tungsten deposits, occupy a northeast-trending belt between the Bristol Bay-Mackenzie Bay linear and extensions of a linear along the lower Yukon River. This belt intersects the northwest-trending Canadian belt of similar deposits in the Fairbanks area.

Gryc, G.↗

NASA NTRS1973

Structural and lithologic study of Northern Coast Range and Sacramento Valley, California

The author has identified the following significant results. Preliminary analysis of the data received has disclosed two potentially important northwest-trending systems of linear features within the Northern California Coast Ranges. A third system, which trends northeast, can be traced with great uncertainty across the alluviated part of the Sacramento Valley and into the foothills of the Sierra Nevada. These linear features may represent fault systems or zones of shearing. Of interest, although not yet verified, is the observation that some of the mercury concentrations and some of the geothermally active areas of California may be located at the intersection of the Central and the Valley Systems. One, perhaps two, stratigraphic unconformities within the Late Mesozoic sedimentary rocks were detected during preliminary examination of the imagery; however, more analysis is necessary in order to verify this preliminary interpretation. A heretofore unrecognized, large circular depression, about 15 km in diameter, was detected within the alluviated part of the Sacramento Valley. The depression is adjacent to a large laccolithic intrusion and may be geologically related to it. Changes in the photogeologic characteristics of this feature will continue to be monitored.

Rich, E. I.↗

NASA NTRS1988

The Manson impact structure, a possible site for a Cretaceous-Tertiary (K-T) boundary impact

The Manson impact structure, about 35 km in diameter, is the largest impact crater recognized in the United States. Its center is located near the town of Manson, 29 km west of Fort Dodge, Iowa. The structure is not well known geologically because it is covered by tens of meters of glacial deposits. What is known about the structure was learned mostly from the study of water well cuttings. At Manson the normal Phanerozoic and Proterozoic sedimentary rocks were replaced by centrally uplifted Proterozoic crystalline rocks that are representative of the normal basement: This central uplift is surrounded by completely disrupted rocks which are roughly encircled by peripherally faulted and slumped sequences of normal sedimentary strata. Radially outward normal sedimentary strata are uplifted slightly. Manson, once interpreted as a cryptovolcanic structure, is now considered an impact structure based on its circular shape, its central uplift and the presence of multiple intersecting sets of shock lamellae in quartz grains from the central uplift. The Ar-40/Ar-39 age spectrum dating results for a microcline separate from the Manson 2-A core in the central uplift is shown. This spectrum is interpreted to indicate a nearly complete degassing of the microcline at the time of the Manson impact. The remainder of the gas released climbs in age with increasing temperature of release. This pattern of the age spectrum is interpreted to represent diffusional loss due to reheating at the time of the impact and during subsequent cooling. Shocked quartz grains, present in the iridium-bearing layer at the K-T boundary throughout the world, have a significantly larger size and are more abundant in the western interior of North America than elsewhere in the world. Furthermore, shocked feldspar and granitic fragments are found at the K-T boundary in North America. These observations indicate the K-T boundary impact must have penetrated continental crust in North America.

Hartung, J. B.↗

DOE OSTI2020

Friction stir gradient alloying: A high-throughput method to explore the influence of V in enabling HCP to BCC transformation in a γ-FCC dominated high entropy alloy

The compositional possibilities in high entropy alloys (HEAs) is very vast and effective strategies are needed to establish potential alloy chemistries. In this study, friction stir gradient alloying (FSGA), a recently-introduced high-throughput (HT) technique incorporating compositional and microstructural gradients, was used to explore the possibility of introducing a bcc transformation domain in γ-fcc dominated TRIP HEA Fe 38.5 Mn 20 Cr 15 Co 20 Si 5 Cu 1.5 (at.%) by vanadium addition. FSGA has accelerated the process of attaining the composition-microstructure library and the results suggest that vanadium addition of ~1 at.% results in nucleation of α-bcc. Additionally, this is the first observation of ε-hcp to α-bcc transformation in a TRIP HEA and supports the Olson-Cohen model of martensitic transformation (γ-fcc → ε-hcp → α-bcc). ε-hcp is nucleated with a pyramidal orientation by the formation of planar faults on the {111} close-packed planes of γ-fcc, and α-bcc is nucleated in the vicinity of ε-hcp along the {111} γ-fcc trace. There are indications for the formation of basal orientated ε-hcp from intersecting ε-hcp planes orientated for the pyramidal slip. Thus, the study shows the nucleation and growth of the α-bcc phase attributed to the dual effects of chemistry and strain and potential co-existence of all the three phases.

36 MATERIALS SCIENCE↗

NASA NTRS1974

Geologic and mineral and water resources investigations in western Colorado, using Skylab EREP data

The author has identified the following significant results. Discovery of three major north-trending, throughgoing faults in the Front Range, previously mapped only as isolated segments, demonstrates the utility of space photography and may lead to reinterpretation of the Front Range tectonic style. Faulting and alteration appear to be the most useful indicators of mineralization in central Colorado. These phenomena appear on Skylab photography as tonal lineaments and color anomalies. Twenty-three lineaments have been mapped in the San Juan Mountains, the longest of which is 156 km long. Twelve lineaments intersect or are tangent to calderas. Intrusive domes are aligned along lineaments, but calderas appear to occur at the intersections of major lineaments. Lineaments can be recognized on some EREP passes but not on other passes over the same area. The difference is attributed to solar elevation effects. Bedding attitudes can be photogeologically estimated down to surprisingly low dips, on the order of + or - 1-2 deg, and attitudes can be subdivided easily into quantitative groups. The primary application of Skylab photography to geologic mapping in montane areas is clearly limited to regional mapping at scales smaller than 1:24,000.

Lee, K.↗

NASA NTRS1973

Structural and lithologic study of northern coast ranges and Sacramento Valley, California

The author has identified the following significant results. Analysis of ERTS-1 imagery of the Northern California Coast Ranges has disclosed a potential relation between a heretofore unrecognized fracture system and known deposits of mercury and geothermally active areas in the Coast Range and between oil and gas fields in the Sacramento Valley. Three potentially important systems of linear elements within the Coast Ranges, detected on ERTS-1 imagery, may represent fault systems or zones of shearing because topographic offset and stratigraph disruption can be seen along one or two of the lineations. One of the systems in subparallel to the San Andreas fault and is confined to the Pacific Coastal Belt. Another set is confined to the central core of the Coast Ranges. The third set of linear features (Valley System) has not heretofore been recognized. Some of the known mercury deposits and geothermally active areas near Clear Lake, in the Coast Ranges, are along the Valley System or at the intersection of the Central and Valley Systems. The plotted locations of some of the oil and gas fields in the Sacramento Valley are associated with the Valley and/or Central Systems. If these relations prove reliable, the ERTS-1 imagery may prove to be an extremely useful exploration tool.

Rich, E. I.↗

DOE OSTI2021

Recovering the effects of subgrid heterogeneity in simulations of radionuclide transport through fractured media

Groundwater flow and contaminant transport through fractured media can be simulated using Discrete Fracture Network (DFN) models which provide a natural description of structural heterogeneity. However, this approach is computationally expensive, with the large number of intersecting fractures necessitated by many real-world applications requiring modeling simplifications to be made for calculations to be tractable. Upscaling methods commonly used for this purpose can result in some loss of local-scale variability in the groundwater flow velocity field, resulting in underestimation of particle travel times, transport resistance and retention in transport calculations. In this paper, a transport downscaling algorithm to recover the transport effects of heterogeneity is tested on a synthetic Brittle Fault Zone model, motivated by the problem of large safety assessment calculations for geological repositories of spent nuclear fuel. We show that the variability in the local-scale velocity field which is lost by upscaling can be recovered by sampling from a library of DFN transport paths, accurately reproducing DFN transport statistic distributions and radionuclide breakthrough curves in an upscaled model.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1973

Structural geologic analysis of Nevada using ERTS-1 images: A preliminary report

Structural analysis of Nevada using ERTS-1 images showns several previously unrecognized lineaments which may be the surface manifestations of major fault or fracture zones. Principle trends are NE, NW, NNE-NNW, and ENE. Two lineament zones, the Walker Lane and Midas Trench lineament system, transect the predominantly NNE-NNW trending mountain ranges for more than 500 km. 50 circular features have been delineated. Comparison with known Tertiary volcanic centers and reference to geologic maps suggest 8 new centers. Preferred distribution of mines and Tertiary volcanic centers along some of the major lineament suggests a genetic relationship. The intersection of three previously unmapped lineaments in northwestern Nevada is the location of a highly productive metallogenic district. In the Walker Lane, ENE-trending lineament appear to be related to the occurrence of productive ore deposits.

Rowan, L. C.↗

DOE OSTI2024

Modeling Grid Data Flows for Transmission and Distribution Operations: Review, Design, Next Steps

Operational scenarios of the power grids grow multifold to accommodate the diverse needs of both the utilities and end consumers, and the various other stakeholders in-between. To comprehensively model and apply analytics to support objectives and business functions of grid sectors, a reliable approach to characterize and design data flows is crucial. The flows bridge business functions with communications protocols, stakeholders such as the grid actors, and data interfaces comprising different data objects. Additionally, constraints applied to the flow such as cybersecurity, trust, privacy, and ownership among others intersect these entities, requiring the delineation of their interactions under different scenarios. This paper aims to not only highlight relevant research in the space of grid data flows, but also proposes, for the transmission-distribution sector, a novel modeling approach that marries the aforementioned entities: objectives, business functions, data interfaces, communication protocols, data stakeholders, and flow constraints. It elaborates on the design philosophy and the significance of each entity within the model and applies it to an example function of fault location, isolation and service restoration (FLISR). Finally, the next steps to extend the application of this data flow model for other practical operational scenarios are discussed.

Sundararajan, Aditya [ORNL] (ORCID:000000033577854↗

NASA NTRS1987

Tectonics of the Nazca-Antarctic plate boundary

A new bathymetric chart of part of the Chile transform system is constructed, based mainly on an R/V Endeavor survey from 100 deg W to its intersection with the East Ridge of the Juan Fernandez microplate. A generally continuous lineated trend can be followed through the entire region, with the transform valley being relatively narrow and well-defined from 109 deg W to approximately 104 deg 30 min W. The fracture zone then widens to the east, with at least two probable en echelon offsets to the south at 104 deg and 102 deg W. Six new strike-slip mechanisms along the Chile Transform and one normal fault mechanism near the northern end of the Chile Rise, inverted together with other plate-motion data from the eastern portion of the boundary, produce a new best-fit Euler pole for the Nazca-Antarctic plate pair, providing tighter constraints on the relative plate motions.

Anderson-Fontana, Sandra↗

NASA NTRS1994

Spatial and temporal relations between coronae and extensional belts, northern Lada Terra, Venus

Preliminary studies of the distribution of coronae and volcanic rises on Venus show that many of these features tend to cluster along zones of rifting and extension. The plains north of Lada Terra are crossed by two such extensional belts. Each belt is composed of grabens, ridges, faults, volcanic flows, coronae and coronalike features. The longer and more prominent belt is the NW trending Alpha-Lada extensional belt, which is over 6000 km long and 50-200 km wide, and includes the coronae Eve, Tamfana, Carpo, Selu, Derceto, Otygen, and an unnamed corona south of Otygen. The second belt is the NNE trending Derceto-Quetzalpetlatl extensional belt, which is about 2000 km long and in places over 300 km wide, and includes the coronae Sarpanitum, Eithinoha, and Quetzalpetlatl. The two belts intersect at the 1600 x 600 km wide Derceto volcanic plateau. It is apparent that deformation along the two belts overlapped in time, though deformation along the Alpha-Lada extensional belt probably continued after the deformation along the Derceto-Quetzalpetlatl extensional belt terminated. In certain areas, volcanism originated in grabens within the extensional belts, whereas in other areas, such as in Eve, Selu, Derceto, and Quetzalpetlatl, volcanism originated in the coronae and flowed into the lower parts of the extensional belts. Regional extension has affected the evolution of all the coronae at some stage of their development. Regional deformation occurred before the initiation of Derceto and Eithinoha of their development. Regional deformation occurred before the initiation of Derceto and Eithinoha and after the initiation of Carpo, Tamfana, Otygen, and Sarpanitum. It is thus unlikely that coronae formation along the belts is solely a consequence of the regional extension, and it is also unlikely that regional extension has been caused solely by the coronae. No corona along the belts was formed subsequent to the cessation of the regional extension. We therefore suggest that the regional extension and the coronae are interrelated. Some of the coronae may have determined the location of the surface expression of the regional extension, whereas the locations of other coronae may have been influenced by the concentration of regional extensional stresses.

Baer, Gidon↗