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Hubbard, Susan

Publications and source records attributed to Hubbard, Susan.

36 records · Page 2

Modeling the impact of riparian hollows on river corridor nitrogen exports, Frontiers in Water: Dataset

This package contains all reactive transport simulation outputs used in "Modeling the impact of riparian hollows on river corridor nitrogen exports" (Rogers, D.B., et al., 2021). The simulation outputs reflect hydrological and biogeochemical behavior of a single, generalized riparian hollow located in the intra-meander region of a sub-alpine floodplain under transient hydrological conditions. The context for, purpose of, and conclusions drawn from this model are detailed in Rogers, D.B., et al., 2021.The .zip file contains simulation outputs for each of the five time periods analyzed (see metadata for specific dates), with each folder representing one continuous simulation period. Within each folder are the raw simulation outputs, which are comprised of hundreds of files. Files ending in ".vtk" are best visualized and analyzed using ParaView (https://www.paraview.org). All other files are best viewed or analyzed using R. For a detailed description of the meaning of each file, refer to the ".fls" file located in each folder.

54 ENVIRONMENTAL SCIENCES↗

Deep vadose zone respiration contributions to CO2 fluxes from a semi-arid floodplain, Vadose Zone Journal: Dataset

This data package provides lists of parameter values presented in the paper “Deep vadose zone respiration contributions to CO2 fluxes from a semi-arid floodplain” by Tokunaga et al., Vadose Zone J. 2016. Each table or figure from that paper that contains numerical information is represented as a sheet within the Excel file. Table 1 lists depth profile values for particle-size, bulk density, and parameters for correlating moisture contents with matric potentials. Table 2 lists soil respiration fluxes reported in other studies of semi-arid environments. Figure 3. Presents representative relations between moisture contents with matric potentials. Figure 4 presents depth profiles on different dates at site TT03 for hydraulic head, matric head, pore space volumetric air fraction, temperature, and the effective CO2 diffusion coefficient. Figure 5a presents the time-dependence of relative water table elevation (relative to the deepest measured depth during the study), daily CO2 flux rates at the soil surface, and soil temperature at a depth of 0.20 m. Figure 5b presents continuous measurements of CO2 flux and soil temperature. Figure 6 presents depth profiles on different dates of CO2 concentrations in the gas phase at the 5 monitoring stations. Figure 7 presents CO2 surface fluxes calculated by the gradient method, comparisons between calculated and measured rates at the soil surface, CO2 fluxes at 2m depth, and the ratio of deep (2 m) to surface CO2 fluxes.

54 ENVIRONMENTAL SCIENCES↗

Using strontium isotopes to evaluate the spatial variation of groundwater recharge, Science of The Total Environment: Dataset

Data tables used in Christensen et al. 2018 Using strontium isotopes to evaluate the spatial variation of groundwater recharge, Science of The Total Environment, 637-638, 672-685 DOI: 10.1016/j.scitotenv.2018.05.019 Files include Sr and U isotopic (87Sr/86Sr and 234U/238U) and concentration data for groundwaters, porewaters, and surface waters at the Rifle, Colorado field site, as well as mass balance modeling results for the percentage of vadose zone porewater in groundwater.

54 ENVIRONMENTAL SCIENCES↗

Identifying geochemical hot moments and their controls on a contaminated river floodplain system using wavelet and entropy approaches, Environmental modelling & software: Dataset

We used entropy and wavelet techniques to identify temporal variability in geochemical constituents and their controls along three transects within a contaminated floodplain system near Rifle CO. The objectives of this study were to: (1) identify hot moments of conservative and redox sensitive species as short time-periods with disproportionally high levels of concentration, and (ii) associate the transport and/or biogeochemical factors controlling this temporal variability. This data package includes tables from Arora et al. 2016a: Identifying geochemical hot moments and their controls on a contaminated river floodplain system using wavelet and entropy approaches, Environmental modelling & software, 85, 27-41. In particular, files include sampling frequency for geochemical data at the Rifle site, and results of entropy analysis.

54 ENVIRONMENTAL SCIENCES↗

Biogenic sulfide control by nitrate and (per)chlorate – A monitoring and modeling investigation

Biosouring is commonly encountered during secondary oil recovery when seawater or another high sulfate water source is utilized for flooding; as a result, effective souring control is of great interest to the oil industry. Here we describe a laboratory study to evaluate the relative effectiveness of souring interventions through the injection of nitrate, chlorate and perchlorate, collectively (per)chlorate, solutions and whether in-situ galvanic potential measurements can be used for convenient and quantitative tracking of sulfide dynamics. Nitrate has typically been the chemical of choice for souring treatments, while the efficacy of (per)chlorate as a new candidate inhibitor has only been explored recently. (Per)chlorate is known to inhibit oil reservoir souring via mechanisms such as toxicity, bio-competitive exclusion and sulfur redox cycling. Two sets of experiments under different matrix and inoculation conditions were conducted to evaluate treatment efficiency under variable baseline physical and biogeochemical conditions. Our data demonstrated the sensitivity of the galvanic potential signals to sulfide concentrations where the sulfide-galvanic potential correlation is similar to the theoretical predictions based on the Nernst equation, demonstrating the feasibility of using galvanic potential as a quick and economical method for quantifying in situ sulfide concentrations for tracking reservoir souring processes and subsequent intervention effectiveness. Our results show that all three chemicals were effective at suppressing sulfidogenesis. A reactive transport model for perchlorate treatment was developed to simulate the reaction processes and explore the interactions between the underlying competing mechanisms of this inhibitor. A baseline simulation captured the temporal patterns of the effluent chemical species. Subsequent simulations in which individual inhibition mechanisms were systematically removed elucidated the relative role that each inhibition mechanism played at the different phases of the experiment. The simulation results complement the experimental findings. Our study supports the potential advantages of souring control with (per)chlorate treatments, and the application of galvanic signal as an economic, in-situ monitoring approach for tracking souring dynamics and treatment efficacy.

02 PETROLEUM↗

Electrical and seismic response of saline permafrost soil during freeze - Thaw transition

We conducted laboratory studies on the geophysical signals from Arctic saline permafrost soils to help understand the physical and mechanical processes during freeze-thaw cycles. Our results revealed low electrical resistivity (< 20 Ωm) and elastic moduli (7.7 GPa for Young's modulus and 2.9 GPa for shear modulus) at temperatures down to ~- 10 °C, indicating the presence of a significant amount of unfrozen saline water under the current field conditions. The spectral induced polarization signal showed a systematic shift during the freezing process, affected by concurrent changes of temperature, salinity, and ice formation. An anomalous induced polarization response was first observed during the transient period of supercooling and the onset of ice nucleation. Seismic measurements showed a characteristic maximal attenuation at the temperatures immediately below the freezing point, followed by a decrease with decreasing temperature. The calculated elastic moduli showed a non-hysteric response during the freeze – thaw cycle, which was different from the concurrently measured electrical resistivity response where a differential resistivity signal is observed depending on whether the soil is experiencing freezing or thawing. The differential electrical resistivity signal presents challenges for unfrozen water content estimation based on Archie's law. Using an improved formulation of Archie's law with a variable cementation exponent, the unfrozen water content estimation showed a large variation depending on the choice of the resistivity data during either a freezing or thawing cycle. Combining the electrical and seismic results, we suggest that, rather than a large hysteresis in the actual unfrozen water content, the shift of the resistivity response may reflect the changes of the distribution pattern of the unfrozen water (or ice) in the soil matrix during repeated freeze and thaw processes. Collectively, our results provide an improved petrophysical understanding of the physical and mechanical properties of saline permafrost during freeze – thaw transitions, and suggest that large uncertainty may exist when estimating the unfrozen water content using electrical resistivity data.

58 GEOSCIENCES↗

Quantification of Arctic Soil and Permafrost Properties Using Ground-Penetrating Radar and Electrical Resistivity Tomography Datasets

Improving understanding of Arctic ecosystem climate feedback and parameterization of models that simulate freeze-Thaw dynamics require advances in quantifying soil and snow properties. Due to the significant spatiotemporal variability of soil properties and the limited information provided by point-scale measurements (e.g., cores), geophysical methods hold potential for improving soil and permafrost characterization. In this study, we evaluate the use of a ground-penetrating radar (GPR) to estimate thaw layer thickness, snow depth, and ice-wedge characteristics in an ice-wedge-dominated tundra region near Barrow, AK, USA. To this end, we analyze GPR and point-scale measurements collected along several parallel transects at the end of the growing season and the end of frozen season. In addition, we compare the structural information extracted from the GPR data with electrical resistivity tomography (ERT) information about ice-wedge characteristics. Our study generally highlights the value of GPR data collected in the frozen season, when conditions lead to the improved GPR signal-To-noise ratio, facilitate data acquisition, and reduce acquisition-related ecosystem disturbance relative to growing season. We document for the first time that GPR data collected during the frozen season can provide reliable estimates of active layer thickness and geometry of ice wedges. We find that the ice-wedge geometry extracted from GPR data collected during the frozen season is consistent with ERT data, and that GPR data can be used to constrain the ERT inversion. Consistent with recent studies, we also find that GPR data collected during the frozen season can provide good estimates of snow thickness, and that GPR data collected during the growing season can provide reliable estimate thaw depth. As a result, our quantification of the value of the GPR and ERT data collected during growing and frozen seasons paves the way for coupled inversion of the datasets to improve understanding of permafrost variability.

54 ENVIRONMENTAL SCIENCES↗

Basic Research Needs for Energy and Water: Report of the Office of Basic Energy Sciences Basic Research Needs Workshop for Energy and Water

Water is precious; it has no substitute as a vital resource. It is essential not only for life, but also for practically all forms of economic activity. The food we eat, the clothes we wear, the goods we use, and the electricity we consume all require water. Water — in both quantity and quality — is one of the world’s most critical resources. The global importance of water presents enormous opportunity for innovation spurred by basic science to better understand at a fundamental level energy, water, and their interrelationship. Energy-water systems, whether manufactured or part of the natural world, exhibit extraordinary dynamics and complexities. To make possible a transformation to a future where fundamental processes underlying energy-water systems are quantified and harnessed for societal benefits, understanding of the chemical processes and materials underlying the interdependence of energy and water must be advanced. These interdependent energy and water issues (energy-water issues) intersect with national and international priorities. The challenges we face for energy-water systems are, in fact, an opportunity to shape a sustainable future for the nation and the world and present an enormous opportunity for fundamental energy science. Basic research — spanning chemistry, physics, geosciences, biosciences, and materials sciences — is essential to answering many questions related to energy and water systems. It is now clear that ensuring robust and secure energy and water systems will require a significant basic scientific research effort. Science questions that underpin water resiliency and water-energy systems span 12 orders of magnitude in length scale, from the nature and implications of hydrogen bonding, to the state and movement of water through aquifers. Addressing challenging questions requires advances and integration of basic chemical, geological, biological, material, and computational sciences. Recognizing the tremendous scope and scale of basic research needs in the energy-water domain, the U.S. Department of Energy’s Office of Science, Office of Basic Energy Sciences (BES), sponsored a workshop on “Basic Research Needs for Energy and Water,” which was held near Washington, D.C., January 4–6, 2017. Attended by more than 100 leading national and international scientific experts in chemistry, physics, materials sciences, biosciences, and geosciences related to the energy-water system, the workshop addressed basic research necessary to improve water use for industrial applications and energy production and to increase fit-for-purpose water availability and energy efficiency as well as crosscutting scientific research needs. The workshop identified four Priority Research Directions (PRDs) that will lay the foundation to better understand materials and processes relevant to energy-water issues and harness their potential for technological impact.

36 MATERIALS SCIENCE↗

iMatTOUGH: An open-source Matlab-based graphical user interface for pre- and post-processing of TOUGH2 and iTOUGH2 models

TOUGH2 and iTOUGH2 are powerful models that simulate the heat and fluid flows in porous and fracture media, and perform parameter estimation, sensitivity analysis and uncertainty propagation analysis. However, setting up the input files is not only tedious, but error prone, and processing output files is time consuming. Here, we present an open source Matlab-based tool (iMatTOUGH) that supports the generation of all necessary inputs for both TOUGH2 and iTOUGH2 and visualize their outputs. The tool links the inputs of TOUGH2 and iTOUGH2, making sure the two input files are consistent. It supports the generation of rectangular computational mesh, i.e., it automatically generates the elements and connections as well as their properties as required by TOUGH2. The tool also allows the specification of initial and time-dependent boundary conditions for better subsurface heat and water flow simulations. The effectiveness of the tool is illustrated by an example that uses TOUGH2 and iTOUGH2 to estimate soil hydrological and thermal properties from soil temperature data and simulate the heat and water flows at the Rifle site in Colorado.

58 GEOSCIENCES↗

Geophysical estimation of shallow permafrost distribution and properties in an ice-wedge polygon-dominated Arctic tundra region

Shallow permafrost distribution and characteristics are important for predicting ecosystem feedbacks to a changing climate over decadal to century timescales because they can drive active layer deepening and land surface deformation, which in turn can significantly affect hydrologic and biogeochemical responses, including greenhouse gas dynamics. As part of the U.S. Department of Energy Next-Generation Ecosystem Experiments- Arctic, we have investigated shallow Arctic permafrost characteristics at a site in Barrow, Alaska, with the objective of improving our understanding of the spatial distribution of shallow permafrost, its associated properties, and its links with landscape microtopography. To meet this objective, we have acquired and integrated a variety of information, including electric resistance tomography data, frequency-domain electromagnetic induction data, laboratory core analysis, petrophysical studies, high-resolution digital surface models, and color mosaics inferred from kite-based landscape imaging. The results of our study provide a comprehensive and high-resolution examination of the distribution and nature of shallow permafrost in the Arctic tundra, including the estimation of ice content, porosity, and salinity. Among other results, porosity in the top 2 m varied between 85% (besides ice wedges) and 40%, and was negatively correlated with fluid salinity. Salinity directly influenced ice and unfrozen water content and indirectly influenced the soil organic matter content. A relatively continuous but depth-variable increase in salinity led to a partially unfrozen saline layer (cryopeg) located below the top of the permafrost. The cryopeg environment could lead to year-round microbial production of greenhouse gases. Results also indicated a covariability between topography and permafrost characteristics including icewedge and salinity distribution. In addition to providing insight about the Arctic ecosystem, through integration of lab-based petrophysical results with field data, this study also quantified the key controls on electric resistivity at this Arctic permafrost site, including salinity, porosity, water content, ice content, soil organic matter content, and lithologic properties.

58 GEOSCIENCES↗

Sustainable Systems SFA 2.0

Berkeley Lab Earth Sciences Division Director Susan Hubbard, the Project Lead for the Sustainable Systems Scientific Focus Area (SFA) 2.0, gives an overview of the project and its mission to develop a predictive understanding of terrestrial environments, from the genome to the watershed scales, to enable a new class of solutions for environmental and energy solutions.

58 GEOSCIENCES↗

Using ASCEM modeling and visualization to inform stakeholders of contaminant plume evolution and remediation efficacy at F-Basin Savannah river, SC - 15156

Communication with stakeholders, regulatory agencies, and the public is an essential part of implementing different remediation and monitoring activities, and developing site closure strategies at contaminated sites. Modeling of contaminant plume evolution plays a critical role in estimating the benefit, cost, and risk of particular options. At the same time, effective visualization of monitoring data and modeling results are particularly important for conveying the significance of the results and observations. In this paper, we present the results of the Advanced Simulation Capability for Environmental Management (ASCEM) project, including the discussion of the capabilities of newly developed ASCEM software package, along the its application to the F-Area Seepage Basins located in the U.S. Department of Energy Savannah River Site (SRS). ASCEM software includes state-of-the-art numerical methods for simulating complex flow and reactive transport, as well as various tool-sets such as a graphical user interface (GUI), visualization, data management, uncertainty quantification, and parameter estimation. Using this software, we have developed an advanced visualization of tritium plume migration coupled with a data management system, and simulated a three-dimensional model of flow and plume evolution on a high-performance computing platform. We evaluated the effect of engineered flow barriers on a nonreactive tritium plume, through advanced plume visualization and modeling of tritium plume migration. In addition, we developed a geochemical reaction network to describe complex geochemical processes at the site, and evaluated the impact of coupled hydrological and geochemical heterogeneity. These results are expected to support SRS's monitoring activities and operational decisions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Low-altitude remote sensing dataset of DEM and RGB mosaic for AB corridor on July 13 2013 and L2 corridor on July 21 2013, Utqiagvik (Barrow), Alaska

Photogrammetry and topography data were acquired in July 2023 along a 475 m long, 20 m wide corridor (named L2 or Z0) and a 500 m long, 40 m wide corridor (AB), both covering various polygon types within the Barrow Environmental Observatory (BEO) on the Alaskan Arctic Coastal Plain, approximately 4 miles from the Beaufort Sea near Utqiaġvik, Alaska. This dataset was collected to improve the understanding of landscape organization and obtain a high-resolution digital surface model to investigate co-variability between above- and below-ground structure. The reference list provided in this archive indicates studies using this dataset. The photogrammetry data were acquired using an unoccupied aerial vehicle (UAV) (specifically, a kite) and were used to generate a digital elevation model and an RGB mosaic. A real-time kinematic (RTK) GPS was used to survey ground control points for the aerial imagery. The processes datasets are provided in geotiff format with a UTM coordinate system. The dataset contains 1 *.csv metadata files, and 6 *.tif files. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Development of HydroImage, A User Friendly Hydrogeophysical Characterization Software

HydroImage, user-friendly software that utilizes high-resolution geophysical data for estimating hydrogeological parameters in subsurface strata, was developed under this grant. HydroImage runs on the personal computer platform to promote broad use by hydrogeologists to further understanding of subsurface processes that govern contaminant fate, transport, and remediation. The unique software provides estimates of hydrogeological properties over continuous volumes of the subsurface, whereas previous approaches only allow estimation of point locations. Thus, this unique tool can be used to significantly enhance site conceptual models and improve design and operation of remediation systems.

54 ENVIRONMENTAL SCIENCES↗