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DOE OSTI2024

Predicting Fracture Porosity Evolution in Sandstone (Final Report)

To better understand porosity, strength, chemical reactivity, and patterns of fractures, we developed methods using mineral deposits to unravel how fracture growth and diagenesis interact to create and destroy fracture porosity. Quartz and dolomite cement textures and associated fluid inclusion assemblage sequences and thermal histories provided data to infer the duration and rates at which fractures open. We developed and tested a model that accounts for how fracture porosity and rock properties change as a function of thermal exposure and how fracture size and arrangement evolve. Effects of cement deposits on growth were investigated with new geomechanical models and new methods to quantify fracture spatial arrangement. We tested these concepts in a wide range of rock types using outcrop and core-based datasets. We documented opening histories of fractures and fracture arrays in contrasting tectonic and thermal regimes. Our methods set a new standard for fracture characterization and our diagenetic-geomechanical model accurately predicts fluid flow characteristics of fractured rocks based on coupled effects of diagenesis and deformation. Results represent a significant advance in fundamental understanding of fractures in the Earth and have application to improving subsurface engineering operations in a wide range of contexts including geothermal and sequestration applications. The breakthrough of successfully reconstructing the timing and opening rates of parts of single fractures and portions of fracture arrays to document the growth and linkage of fracture arrays was an accomplishment of this grant that is being followed up in our current BES grant DE-SC0022968, ‘Reconstructing and Predicting Fracture Pattern Evolution‘

58 GEOSCIENCES↗

DOE OSTI2018

Detecting the permafrost carbon feedback: talik formation and increased cold-season respiration as precursors to sink-to-source transitions

Abstract. Thaw and release of permafrost carbon (C) due to climate change is likely to offset increased vegetation C uptake in northern high-latitude (NHL) terrestrial ecosystems. Models project that this permafrost C feedback may act as a slow leak, in which case detection and attribution of the feedback may be difficult. The formation of talik, a subsurface layer of perennially thawed soil, can accelerate permafrost degradation and soil respiration, ultimately shifting the C balance of permafrost-affected ecosystems from long-term C sinks to long-term C sources. It is imperative to understand and characterize mechanistic links between talik, permafrost thaw, and respiration of deep soil C to detect and quantify the permafrost C feedback. Here, we use the Community Land Model (CLM) version 4.5, a permafrost and biogeochemistry model, in comparison to long-term deep borehole data along North American and Siberian transects, to investigate thaw-driven C sources in NHL (> 55∘ N) from 2000 to 2300. Widespread talik at depth is projected across most of the NHL permafrost region (14 million km2) by 2300, 6.2 million km2 of which is projected to become a long-term C source, emitting 10 Pg C by 2100, 50 Pg C by 2200, and 120 Pg C by 2300, with few signs of slowing. Roughly half of the projected C source region is in predominantly warm sub-Arctic permafrost following talik onset. This region emits only 20 Pg C by 2300, but the CLM4.5 estimate may be biased low by not accounting for deep C in yedoma. Accelerated decomposition of deep soil C following talik onset shifts the ecosystem C balance away from surface dominant processes (photosynthesis and litter respiration), but sink-to-source transition dates are delayed by 20–200 years by high ecosystem productivity, such that talik peaks early (∼ 2050s, although borehole data suggest sooner) and C source transition peaks late (∼ 2150–2200). The remaining C source region in cold northern Arctic permafrost, which shifts to a net source early (late 21st century), emits 5 times more C (95 Pg C) by 2300, and prior to talik formation due to the high decomposition rates of shallow, young C in organic-rich soils coupled with low productivity. Our results provide important clues signaling imminent talik onset and C source transition, including (1) late cold-season (January–February) soil warming at depth (∼ 2 m), (2) increasing cold-season emissions (November–April), and (3) enhanced respiration of deep, old C in warm permafrost and young, shallow C in organic-rich cold permafrost soils. Our results suggest a mosaic of processes that govern carbon source-to-sink transitions at high latitudes and emphasize the urgency of monitoring soil thermal profiles, organic C age and content, cold-season CO2 emissions, and atmospheric 14CO2 as key indicators of the permafrost C feedback.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1992

Soil texture and granulometry at the surface of Mars

The microtexture of the near-surface Martian soil was sensed with three diagnostic parameters: (1) the albedo A at normal incidence and phase angle 5 degrees, which relates to the composition of the top surface exposed layer; (2) the polarization parameter b characterizes the texture of the top surface layer in terms of grain size; and (3) the thermal inertia parameter I which refers to the soil compaction through the first few decimeters below the top surface sensed by polarimetry, in terms of size for the pieces making a granular regolith. Parameter b was derived from instrument VPM on board the Soviet spacecraft MARS-5, inertial I is from IRTM on the American Viking, and albedo A from both. The polarimetric scans racked strips covering two contrasted regions, the dark hued Mare Erythraeum, and the adjacent bright orange Thaumasia. Erythraem is characterized everywhere by a same type of terrain, despite the large geomorphological diversity of the surface. There is an ubiquitous coating or mantling with small dark grains, of both albedo 12.7 percent and particle size 10 to 20 microns, above a subsurface dislocation in pieces around 300 to 600 microns. A simple model is with sand-size particles completely coated with 15 micron dark grains.

Dollfus, A.↗

DOE OSTI2012

3D Characterization and Time-Lapse Imaging of the Desiccation Treatability Test at the Hanford BC-Cribs and Trenches Site using High Performance Electrical Resistivity Imaging

Contaminated vadose zone materials are a potential source of long-term groundwater contamination at many sites across the Department of Energy (DOE) complex. Deep vadose zone contamination presents a particularly challenging remedial problem due to the difficultly of locating contaminants and the expense of access and ex situ treatment. In situ remediation techniques, whereby remedial amendments must be delivered to contaminated soils, have been identified as a potential alternative. However, amendment delivery is typically uncertain and post delivery remedial performance is often not well understood due to limited information available from sparsely spaced boreholes. Recent advancements in electrical resistivity tomography (ERT) are being used to address these challenges at the Hanford site by providing remote, three-dimensional images of contaminant distribution and four-dimensional (three spatial dimensions plus the time dimension) images of in-situ vadose zone remediation processes. These capabilities were recently demonstrated with a large scale surface characterization effort and during a smaller scale desiccation treatability test at the Hanford BC-Cribs area. The results of these efforts demonstrate the utility of leveraging high-performance computing resources to process ERT data for 3D reconnaissance mapping of subsurface contaminants and for detailed 3D monitoring of vadose zone remediation efforts.

contamination↗

DOE OSTI2020

Endogenous Dynamic Nuclear Polarization for Natural Abundance 17O and Lithium NMR in the Bulk of Inorganic Solids

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99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1987

Nondestructive evaluation of structural ceramics by photoacoustic microscopy

A photoacoustic microscopy (PAM) digital imaging system was developed and utilized to characterize silicon nitride material at the various stages of the ceramic fabrication process. Correlation studies revealed that photoacoustic microscopy detected failure initiating defects in substantially more specimens than microradiography and ultrasonic techniques. Photoacoustic microscopy detected 10 to 100 micron size surface and subsurface pores and inclusions, respectively, up to 80 microns below the interrogating surface in machined sintered silicon nitride. Microradiography detected 50 micron diameter fracture controlling pores and inclusions. Subsurface holes were detected up to a depth of 570 microns and 1.00 mm in sintered silicon nitride and silicon carbide, respectively. Seeded voids of 20 to 30 micron diameters at the surface and 50 microns below the interrogating surface were detected by photoacoustic microscopy and microradiography with 1 percent X-ray thickness sensitivity. Tight surface cracks of 96 micron length x 48 micron depth were detected by photoacoustic microscopy. PAM volatilized and removed material in the green state which resulted in linear shallow microcracks after sintering. This significantly limits the use of PAM as an in-process NDE technique.

Khandelwal, Pramod K.↗

NASA NTRS1988

Characterization of sintered SiC by using NDE

Capabilities of projection microfocus X-radiography and of ultrasonic velocity and attenuation for characterizing silicon carbide specimens were assessed. Silicon carbide batches covered a range of densities and different microstructural characteristics. Room-temperature, four-point flexural strength tests were conducted. Fractography was used to identify types, sizes, and locations of fracture origins. Fracture toughness values were calculated from fracture strength and flaw characterization data. Detection capabilities of radiography for fracture-causing flaws were evaluated. Applicability of ultrasonics for verifying material strength and toughness was examined. Radiography proved useful in detecting high-density inclusions and isolated voids, but failed in detecting surface and subsurface agglomerates and large grains as fracture origins. Ultrasonic velocity dependency on density was evident. Attenuation dependency on density and mean pore size was clearly demonstrated. Understanding attenuation as a function of toughness was limited by shortcomings in K sub IC determination.

Baaklini, George Y.↗

NASA NTRS2020

Experimental Heat Transfer Supporting Simulated Water Well Performance on Mars

Favorable indications of massive quantities of water on Mars have initiated studies of potential changes to human Mars missions. Using a technique known as a Rodriguez Well to melt the ice, store the resulting water in a subsurface ice cavity until needed, and then pump water to the surface for use is one potential means to effect these changes. A computer simulation of the Rodriguez Well in a terrestrial environment is one of the engineering tools being used to characterize the performance of this type of well on Mars. An experiment at the NASA Johnson Space Center is gathering data for convective heat transfer and evaporation rates at Mars surface conditions so that this computer simulation can be properly modified to predict performance on Mars. While quantitative results await processing, tests have indicated that a pool of water can be maintained at 1°C to 2° C while at Mars surface temperatures and pressures.

Hoffman, Stephen J.↗

NASA NTRSDate not supplied

Mars Water Well Performance: Experimental Heat Transfer Results Supporting Simulations

Favorable indications of massive quantities of water on Mars have initiated studies of potential changes to human Mars missions. Using a technique known as a Rodriguez Well to melt the ice, store the resulting water in a subsurface ice cavity until needed, and then pump water to the surface for use is one potential means to effect these changes. A computer simulation of the Rodriguez Well in a terrestrial environment is one of the engineering tools being used to characterize the performance of this type of well on Mars. An experiment at the NASA Johnson Space Center gathered data for evaporation rates and convective heat transfer at Mars surface conditions so that this computer simulation could be appropriately modified to predict performance on Mars. Tests have indicated that a pool of water can be maintained at 1°C to 2° C while at Mars surface temperatures and pressures. Preliminary results for evaporation rates and convective heat transfer have been determined and are presented.

Stephen J Hoffman↗

NASA NTRSDate not supplied

Mars Water Well Performance: Experimental Heat Transfer Results Supporting Simulations

Mars↗

DOE OSTI2015

Real time explosive hazard information sensing, processing, and communication for autonomous operation

Methods, computer readable media, and apparatuses provide robotic explosive hazard detection. A robot intelligence kernel (RIK) includes a dynamic autonomy structure with two or more autonomy levels between operator intervention and robot initiative A mine sensor and processing module (ESPM) operating separately from the RIK perceives environmental variables indicative of a mine using subsurface perceptors. The ESPM processes mine information to determine a likelihood of a presence of a mine. A robot can autonomously modify behavior responsive to an indication of a detected mine. The behavior is modified between detection of mines, detailed scanning and characterization of the mine, developing mine indication parameters, and resuming detection. Real time messages are passed between the RIK and the ESPM. A combination of ESPM bound messages and RIK bound messages cause the robot platform to switch between modes including a calibration mode, the mine detection mode, and the mine characterization mode.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Real time explosive hazard information sensing, processing, and communication for autonomous operation

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

NASA NTRS2010

Principal Components Analysis of Reflectance Spectra Returned by the Mars Exploration Rover Opportunity

The Mars Exploration Rover Opportunity has spent over six years exploring the Martian surface near its landing site at Meridiani Planum. Meridiani bedrock observed by the rover is largely characterized by sulfate-rich sandstones and hematite spherules, recording evidence of ancient aqueous environments [1]. The region is a deflationary surface, allowing hematite spherules, fragments of bedrock, and "cobbles" of foreign origin to collect loosely on the surface. These cobbles may be meteorites (e.g., Barberton, Heat Shield Rock, Santa Catarina) [2], or rock fragments of exotic composition derived from adjacent terranes or from the subsurface and delivered to Meridiani Planum as impact ejecta [3]. The cobbles provide a way to better understand Martian meteorites and the lithologic diversity of Meridiani Planum by examining the various rock types located there. In the summer of 2007, a global dust storm on Mars effectively disabled Opportunity's Miniature Thermal Emission Spectrometer (Mini-TES), which served as the Athena Science Team s primary tool for remotely identifying rocks of interest on a tactical timescale for efficient rover planning. While efforts are ongoing to recover use of the Mini-TES, the team is currently limited to identifying rocks of interest by visual inspection of images returned from Opportunity's Panoramic Camera (Pancam). This study builds off of previous efforts to characterize cobbles at Meridiani Planum using a database of reflectance spectra extracted from Pancam 13-Filter (13F) images [3]. We analyzed the variability of rock spectra in this database and identified physical characteristics of Martian rocks that could potentially account for the observed variance. By understanding such trends, we may be able to distinguish between rock types at Meridiani Planum and regain the capability to remotely identify locally unique rocks.

Mercer, C. M.↗

DOE OSTI2023

A hydrogeophysical framework to assess infiltration during a simulated ecosystem-scale flooding experiment

This study presents a framework to quantify changes in soil saturation in response to flooding caused by extreme hydrologic perturbation on coastal ecosystems at the interfaces and transition between terrestrial and aquatic systems. Subsurface heterogeneity limits the use of in situ measurements to quantify subsurface flow during flooding due to the spatial discontinuity in the measured data. While geophysical methods, including time-lapse electrical resistivity imaging (ERI), are increasingly used to monitor soil hydrological processes, their abilities to parameterize flow models have been underutilized. This study combines background ERI, ground penetrating radar (GPR), time-lapse ERI, soil characterization, and a numerical flow model developed using an Advanced Terrestrial Simulator (ATS) code to quantify the infiltration pathway and describe the hydrological dynamics during a simulated flooding experiment. We assessed the use of two conceptual models developed using [1] ERI and GPR data that described the stratigraphic distribution, and time-lapse ERI that mapped permeability contrast, and [2] information from a national soil database for capturing changes in saturation. Combining the ERI and GPR results with soil core data revealed the stratigraphic heterogeneity at the site with a silty clay layer from 1 to 2 m between an overlying loamy topsoil and an underlying saturated silty sand. This silty clay layer could restrict deep infiltration. The time-lapse ERI showed up to a 35% decrease in resistivity, which correlated with soil moisture data (R 2 value > 0.53) and revealed preferential infiltration zones used to inform the flow model. Numerical simulation results from both the geophysics- and soil database-informed models quantified changes in soil saturation with calculated soil moistures that agreed with field data. The geophysics-informed model captured more of the system’s variability, reflective of shallow subsurface heterogeneities. The framework presented will serve as a precursor for a robust ecohydrological model that can describe the impacts of extreme events induced by climate change on coastal ecosystems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Tc(VII) and Cr(VI) Interaction with Naturally Reduced Ferruginous Smectite from a Redox Transition Zone

Fe(II)-rich clay minerals found in subsurface redox transition zones (RTZs) can serve as important source of electron equivalents limiting the transport of redox active contaminants. While most laboratory reactivity studies are based on reduced model clays, the reactivity of naturally reduced clays in field samples remains poorly explored. Characterization of the clay size fraction of a fine-grained unit from RTZ interface at the Hanford site, Washington, including mineralogy, crystal chemistry, and Fe(II)/(III) content, indicates that ferruginous montmorillonite is the dominant mineralogical component. Oxic and anoxic fractions differ significantly in Fe(II) concentration, but FeTOTAL remains constant demonstrating no Fe loss during reduction-oxidation cycling. At its native pH of 8.6, the anoxic fraction despite its significant Fe(II) (~23% of FeTOTAL), exhibits minimal reactivity with TcO4- and CrO42- and much slower reaction kinetics than that measured in studies with biologically/chemically reduced model clays. Reduction capacity is enhanced by added Fe(II) (if Fe(II)SORBED >8% clay Fe(II)LABILE), however the kinetics of this conceptually surface-mediated reaction remain sluggish. Surface-sensitive Fe L-edge X-ray absorption spectroscopy shows that Fe(II)SORBED and the resulting reducing equivalents are not available in the outermost few nanometers of clay surfaces. Slow kinetics thus appear related to diffusion-limited access to electron equivalents retained within clay mineral.

Environmental Molecular Sciences Laboratory↗

DOE OSTI2021

Role of Surface Termination in the Metal–Insulator Transition of V 2 O 3 (0001) Ultrathin Films

Surface termination is known to play an important role in determining the physical properties of materials. It is crucial to know how surface termination affects the metal–insulator transition (MIT) of V 2 O 3 films for both fundamental understanding and its applications. By changing growth parameters, we achieved a variety of surface terminations in V 2 O 3 films that are characterized by low-energy electron diffraction (LEED) and photoemission spectroscopy techniques. Depending upon the terminations, our results show that MIT can be partially or fully suppressed near the surface region due to the different fillings of the electrons at the surface and subsurface layers and the change of screening length compared to the bulk. Across MIT, a strong redistribution of spectral weight and its transfer from a high-to-low-binding energy regime is observed in a wide energy scale. Our results show that the total spectral weight in the low-energy regime is not conserved across MIT, indicating a breakdown of the “sum rules of spectral weight”, signature of a strongly correlated system. Such a change in spectral weight is possibly linked to the change in hybridization, lattice volume (i.e., effective carrier density), and the spin degree of freedom in the system that occurs across MIT. We find that MIT in this system is strongly correlation-driven, where the electron–electron interactions play a pivotal role. Furthermore, our results provide better insight into the understanding of the electronic structure of strongly correlated systems and highlight the importance of accounting for surface effects during interpretation of the physical property data mainly using surface-sensitive probes, such as surface resistivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2012

Fluorescent Functionalized Mesoporous Silica for Radioactive Material Extraction

Mesoporous silica with covalently bound salicylic acid molecules incorporated in the structure was synthesized with a one-pot, co-condensation reaction at room temperature. The as-synthesized material has a large surface area, uniform particle size, and an ordered pore structure as determined by characterization with transmission electron microscopy, thermal gravimetric analysis, and infrared spectra, etc. Using the strong fluorescence and metal coordination capability of salicylic acid, functionalized mesoporous silica (FMS) was developed to track and extract radionuclide contaminants, such as uranyl [U(VI)] ions encountered in subsurface environments. Adsorption measurements showed a strong affinity of the FMS toward U(VI) with a Kd value of 105 mL/g, which is four orders of magnitude higher than the adsorption of U(VI) onto most of the sediments in natural environments. The new materials have a potential for synergistic environmental monitoring and remediation of the radionuclide U(VI) from contaminated subsurface environments.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

NASA NTRS1976

Satellite observations of snow and ice with an imaging passive microwave spectrometer

The scanning microwave spectrometer (SCAMS) on the Nimbus-6 satellite continuously maps the terrestrial surface with a resolution of about 150 km at 22.235 and 31.400 GHz. SCAMS observes at six angles besides nadir, yielding brightness temperatures which are a function of the distribution and character of various types of snow and ice, including microstructure and subsurface profiles in refractive index, loss (moisture or salinity), and temperature. Spectral signatures exhibiting interesting topographical structure have been observed. To aid in the interpretation of these data, a model was developed to describe the propagation of microwave intensity in a scattering medium characterized by three-dimensional random fluctuations of refractive index in addition to nonrandom variations in permittivity, temperature, and loss. The model combines Maxwell's equations in the Born approximation with radiative-transfer theory; this approach yields the variation of intensity with polarization, direction, and position.

Fisher, A. D.↗