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Basin-Size Mapping: Prediction of Metastable Polymorph Synthesizability Across TaC–TaN Alloys

The sizes of the basins of attraction on the potential energy surface are helpful indicators in determining the experimental synthesizability of metastable phases. In principle, these basins can be controlled with changes in thermodynamic conditions such as composition, pressure, and surface energy. Herein, we use random structure sampling to computationally study how alloying smoothly perturbs basin of attraction sizes. The TaC 1-x N x pseudobinary is an ideal test system given the structural and polymorphic contrast of its parent compounds and their technological relevance as epitaxial substrates for Al 1-x Ga x N. While we find limited thermodynamic stability across all computationally observed phases, random structure sampling shows a significant composition region where the rocksalt basin dominates. As such, we predict the potential for the nonequilibrium synthesis of metastable rocksalt TaC 1-x N x alloys as substrates for Al 1-x Ga x N. At higher nitrogen concentrations, other low-energy metastable polymorphs emerge that continue to retain the hexagonal close packing suitable for III-N growth. Confidence in these trends was established through uncertainty quantification of the basin sizes and energy distributions; such analysis utilized the Beta and Dirichlet distributions. In conclusion, we also find (a) polymorph basin sizes can be rationalized in terms of energetic preferences for different coordination environments; and (b) basin sizes universally shrink with increasing nitrogen content, making the system more prone to amorphous growth.

36 MATERIALS SCIENCE↗

Consequences and benefits of utilizing continuous vibro-impact representations in constrained pipeline conveying fluid systems

Here, the effectiveness of continuous vibro-impact forcing representations for the cantilevered pipe that conveys fluid is explored and analyzed. The previously accepted forcing model utilizing a smoothened trilinear spring is estimated using three continuous forcing representations, namely, polynomial, rational polynomial, and hyperbolic tangent. The accuracy of the estimated forcing functions is investigated and analyzed by calculating the root mean square error, and bifurcation diagrams are generated and compared to the nominal system. Additionally, the dynamic response of the system is further characterized using Poincare maps, power spectra, and basins of attraction. Once all continuous forcing representations are analyzed and compared to the nominal system, the computational cost of each method is examined, and further limitations of the hyperbolic tangent method are discovered. It is proved that the hyperbolic tangent forcing representation most accurately captures the dynamic response of the pipeline, and the least accurate representation is the rational polynomial representation. Additionally, considerable computational cost is saved when employing the hyperbolic tangent representation compared to the discontinuous representation.

42 ENGINEERING↗

Nonlinear dynamics, bifurcations, and multi-stability in a vibro-impact system with geometric and multi-segmented freeplay nonlinearities

Freeplay is a common type of piecewise-smooth nonlinearity in dynamical systems, and it can cause discontinuity-induced bifurcations and other behaviors that may bring about undesirable and potentially damaging responses. Prior research has focused on piecewise-smooth systems with two or three distinct regions, but less attention is devoted to systems with more regions (i.e., multi-segmented systems). In this work, numerical analysis is performed on a dynamical system with multi-segmented freeplay, in which there are four stiffness transitions and five distinct regions in the phase space. Here, the effects of the multi-segmented parameters are studied through bifurcation diagram evolution along with induced multi-stable behavior and different bifurcations. These phenomena are interrogated through various tools, such as harmonic balance, basins of attraction, phase planes, and Poincaré section analysis. Results show that among the three multi-segmented parameters, the asymmetry has the strongest effect on the response of the system.

42 ENGINEERING↗

Dynamical responses of constrained pipe conveying fluids and its dependence on the modeling of the contact force

Accurately modeling the impact force used in the analysis of loosely constrained cantilevered pipes conveying fluid is imperative. If little information is known of the motion-limiting constraints used in experiments, the analysis of the system may yield inaccurate predictions. Here in this work, multiple forcing representations of the impact force are defined and analyzed for a cantilevered pipe that conveys fluid. Depending on the representation of the impact force, the dynamics of the pipe can vary greatly when only the stiffness of the constraints is known from experiments. Three gap sizes of the constraints are analyzed, and the representation of the impact force used to analyze the system is found to significantly affect the response of the pipe at each gap size. An investigation on the effects of the vibro-impact force representation is performed through using basin of attraction analysis and nonlinear characterization of the system’s response.

42 ENGINEERING↗

New horizons in the holographic conformal phase transition

Abstract We describe 5D dynamical cosmological solutions of the stabilized holographic dilaton and their role in completion of the conformal phase transition. This analysis corresponds, via the AdS/CFT dictionary, to a study of out-of-equilibrium dynamics where trajectories of the dilaton do not depend solely on thermodynamic quantities in the early universe, but have sensitivity also to initial conditions. Unlike the well-studied thermal transition, which requires quantum tunneling of an infrared brane through the surface of an AdS-Schwarzschild horizon, our approach instead invokes an early epoch in which the cosmology is fully 5-dimensional, with highly relativistic brane motion and with Rindler horizons obscuring the infrared brane at early times. In this context, we demonstrate the existence of a large class of natural initial conditions that seed trajectories where the brane simply passes through the Rindler horizon and into the basin of attraction of the stabilized dilaton potential. This corresponds to successful completion of the phase transition without sacrificing perturbativity of the 5D theory.

Physics↗

Distributed Quantum-Enhanced Optimization: A Topographical Preconditioning Approach for High-Dimensional Search

Optimization problems become fundamentally challenging as the number of variables increases. Because the volume of the search space grows exponentially, classical algorithms frequently fail to locate the global minimum of non-convex functions. While quantum optimization offers a potential alternative, mapping continuous problems onto near-term quantum hardware introduces severe scaling limits and barren plateaus. To bridge this gap, we propose the Distributed Quantum-Enhanced Optimization (D-QEO) framework. Instead of forcing the quantum processor to find the exact minimum, we use it simply as a topographical preconditioner. The QPU maps the landscape to locate the most promising basin of attraction, generating high-quality seed points for a classical GPU-accelerated solver to refine. To make this approach viable for utility-scale problems, we exploit the mathematical structure of separable functions. This allows us to cut a 50-qubit (i.e., $2^{50}$) global search space into independent and manageable sub-spaces using 5-qubit subcircuits. By executing these fragments concurrently with CUDA-Q, we completely bypass the overhead of cross-register entanglement and classical tensor knitting for separable functions. Benchmarks on the 10-dimensional Rastrigin and Ackley functions show that D-QEO prevents the exponential failure rates observed in purely classical algorithms. Furthermore, this quantum warm-start significantly reduces the number of classical BFGS iterations required to converge, providing a highly practical blueprint for utilizing near-term quantum resources in complex global search.

Soos, Dominik [Old Dominion U.]↗

Faster network disruption from layered oscillatory dynamics

Nonlinear complex network-coupled systems typically have multiple stable equilibrium states. Following perturbations or due to ambient noise, the system is pushed away from its initial equilibrium, and, depending on the direction and the amplitude of the excursion, it might undergo a transition to another equilibrium. It was recently demonstrated [M. Tyloo, J. Phys. Complex. 3 03LT01 (2022)] that layered complex networks may exhibit amplified fluctuations. Here, I investigate how noise with system-specific correlations impacts the first escape time of nonlinearly coupled oscillators. Interestingly, I show that, not only the strong amplification of the fluctuations is a threat to the good functioning of the network but also the spatial and temporal correlations of the noise along the lowest-lying eigenmodes of the Laplacian matrix. Finally, I analyze first escape times on synthetic networks and compare noise originating from layered dynamics to uncorrelated noise.

97 MATHEMATICS AND COMPUTING↗

Chemically Enabled CO 2 -Enhanced Oil Recovery in Multi-Porosity, Hydrothermally Altered Carbonates in the Southern Michigan Basin (Final Technical Report)

This is the Final Technical Report for the project "Chemically Enabled CO 2 -Enhanced Oil Recovery in Multi-Porosity, Hydrothermally Altered Carbonates in the Southern Michigan Basin." Over the course of six years of collaboration between Battelle and project partners, all stated objectives of the program have been completed, including full geological characterization of the TBR trend (See companion report for Task2), laboratory and modeling experiments to determine the optimum composition and design of CO 2 -EOR operations in the TBR trend, execution of a field test of chemically-enhanced CO 2 in a TBR well, and integration of the data and learnings gathered during these efforts into a full-trend development plan. Detailed reporting on these activities, their outcomes, and implications for trend-wide development is provided in the report. This report and encompassed data will provide TBR field operators with detailed information on what worked, what did not work, and how to proceed with production optimization of their TBR assets using chemically-enhanced CO 2 -EOR. CO 2 -EOR is a relatively well understood and broadly implemented strategy for increasing incremental production across the oil and gas industry, but its application has been primarily focused on reservoirs with limited heterogeneity. The intention of this project was show first that the same physical mechanisms that improve recovery factors in homogeneous reservoirs (namely wettability alteration, viscosity alteration, oil swelling, and mobility control) are at play in heterogeneous reservoirs. This was proven by the project’s laboratory studies and dynamic simulations, with the potential exception of mobility control, which needs further study. The second intention was to demonstrate via direct field testing that CO 2 -EOR can work in a strongly heterogeneous reservoir. While the field test strategy implemented during this project did not succeed in producing oil, data gathered during the test sheds light on what may work for field operators who try chemically-enhanced CO 2 -EOR within their own reservoirs, significantly reducing the level of uncertainty carried by first-of-a-kind commercial efforts that could (and should) follow this test. Simultaneously, the project has identified several large-volume ethanol plants and other sources of CO 2 emissions in the region and provided a handrail that CO 2 emitters and field operators can leverage to capture, transport, and inject that CO 2 into their fields. This project has also shown that, in many cases, the economics of CO 2 -EOR in the TBR are attractive. And finally, by completing a project of this scope in the southern Michigan Basin, the project has contributed to the knowledge base and operational experience of field operators, state regulatory agencies, local service companies, and state universities, with CO 2 -EOR projects which should allow follow-on projects to proceed safely and efficiently.

02 PETROLEUM↗

Salt Diapir‐Driven Recycling of Gas Hydrate

Abstract By harnessing both hypothetical, synthetic basin and gas hydrate (GH) system models and real‐world models of well‐studied salt diapir‐associated GH sites at Green Canyon (Gulf of Mexico) and Blake Ridge (U.S. Atlantic coast), we propose and demonstrate salt movement (and in particular, diapirism) to be a new mechanism for the recycling of marine GH. At Green Canyon, for example, we show that by considering this newly proposed diapir‐driven recycling mechanism in conjunction with previously proposed lithological control on sandy‐reservoir‐hosted hydrate at the base of the GH stability zone (BGHSZ; ∼bottom‐simulating reflector, BSR), modeled GH saturations match drilling data. Overall, salt diapir movement‐induced GH recycling provides a temperature‐driven mechanism by which GH saturations at the BGHSZ may reach >90 vol. % and by which GH volumes near and free gas volumes beneath the BGHSZ may be increased significantly through time. Interestingly, comparison of salt diapir‐driven recycling and sediment burial‐driven recycling scenarios suggests notably higher rates of recycling via diapir‐driven versus burial‐driven processes. Our results suggest that GH and associated free gas accumulations above salt diapir crests represent particularly attractive targets for unconventional and conventional hydrocarbon resource exploration and for scientific and academic drilling expeditions aimed at exploiting GH systems. Salt basins containing GH systems—including passive margin basins of the Gulf of Mexico, southeastern Brazil, and southwestern Africa—are therefore compelling localities for studying salt‐driven GH recycling and for salt diapir‐associated natural gas exploration.

58 GEOSCIENCES↗

Red-green-bleached redox interfaces in the proximal Permian Cutler red beds: implications for regional fluid alteration

Siliciclastic strata of the Colorado Plateau attract attention for their striking red, green, bleached, and variegated colors that potentially record both early depositional and later diagenetic events. We investigated the proximal-most strata of the Paradox Basin, from their onlap contact with the Precambrian basement of the Uncompahgre Plateau to the younger Cutler strata exposed within 10 km of the Uncompahgre Plateau to attempt to understand the significance of the striking colors that occur here. These strata preserve a complex geology associated with buried paleorelief and sediment-related permeability variations at a major basin-uplift interface. Strata exposed within ~1.5 km of the onlap contact exhibit a pervasive drab color in contrast to the generally red colors that predominate farther from this front. In-between, strata commonly host variegated red/green/bleached intercalations. Thin-section petrography, SEM, XRD, Raman spectroscopy, Mössbauer spectroscopy, and whole-rock geochemistry of samples representing different color variations from demonstrate that water–rock interactions charged the rocks with Fe(II) that persists primarily in the phyllosilicate fraction. Color variations reflect grain-size differences that allowed the reduction of fluids from regional fault and basement/fill contacts to permeate coarser-grained Cutler sediments. Hematite and chlorite occur in both red and green sediments but are absent in the bleached sediments. Pervasive hematite in both red and green layers suggests that sediments were hematite-rich before later alteration. Chlorite and smectite are elevated in green samples and inversely correlated with biotite content. Green coloration is generally associated with 1) coarser grain sizes, 2) spatial association with basement contacts, 3) elevated smectite and/or chlorite, 4) less total Fe but greater Fe(II)/Fe(III) primarily in the phyllosilicate fraction, and 5) uranium enrichment. The bleached coloration reflects the removal of pigmentary Fe(III) oxide, while the green coloration is due to the removal of pigmentary hematite and the abundance of Fe(II)-bearing phyllosilicates. Abundant mixed-layer and swelling clays such as smectite, illite/smectite, and chlorite/smectite (including tosudite) dominate the mineralogy of the clay fraction. These results are consistent with other studies demonstrating fault-associated fluid alteration in the Paradox Basin region. However, the pervasive greening was not observed in many of these studies and appears to reflect the unique aspects of the paleovalley system and the importance of biotite alteration to Fe(II)-bearing phyllosilicates.

58 GEOSCIENCES↗

Clean Energy Technology Applications on US Mine Land: Technical Analysis

As the United States transitions toward a clean energy economy, an opportunity exists for redeveloping the more than 17,000 mine land sites located across the nation with clean energy technologies, which have a combined potential for generating more than 85 GW of clean electricity. This report provides an overview of the potential of demonstrating and deploying clean energy projects on current and former mine land. Clean energy project refers to a project that demonstrates one or more of the following technologies: solar; microgrids; geothermal; direct air capture; fossil-fueled electricity generation with carbon capture, utilization, and sequestration; energy storage, including pumped storage hydropower and compressed air energy storage; and advanced nuclear technologies. The report discusses the following technologies and their potential for creating jobs and generating tax revenue that would result in direct and indirect benefits to the local economy: Solar photovoltaics (PV) is being developed on current and former mine land in various parts of the world, including the United States. This approach is attractive because it requires limited infrastructure investment and would utilize the bare surfaces of mines and tailing ponds. Solar resource availability may be greater in the southern regions, including the Interior and Appalachian Basins and the southwestern United States. However, since some mine land sites include areas of significant change in elevation, the deployment of PV on mine land may require sophisticated planning to account for shading and irradiance, or may require regrading of the areas. PV does not create significant environmental risks and generally does not face public resistance; Geothermal systems are often spatially and genetically associated with ore deposits, and in some cases, they have been discovered while in search for epithermal mineral resources. Numerous diverse geothermal applications have been employed at mine land around the world, including power generation, mineral extraction from geothermal brines, process heating, direct use for other mining operations, and direct use for non-mining operations and subsurface energy storage, including geothermal heat pumps. Case studies highlighting these applications provide key lessons relating to identifying drivers and barriers to geothermal resource deployment and can be used to create screening tools for identifying the types and locations of mine land most amenable to utilizing geothermal resources; Carbon capture, utilization, and sequestration technologies include direct air capture (DAC) and enhanced weathering. DAC technologies include air contactors, regeneration systems, and CO 2 compression systems. Captured CO 2 can be converted to valuable feedstocks or possibly injected into abandoned subsurface mines where it would be absorbed by alkaline rock waste and mine tailings or by the porous minerals along the walls of the mine. DAC systems can be coupled with energy sources such as wind, solar, grid, or geothermal. Many DAC systems require a source of water or steam; however, some are expected to be net producers of water. Local impacts of DAC systems are expected to be low, and are related to land footprint, material disposal, and upstream impacts of energy and material production; Compressed air energy storage is an established energy storage technology in salt caverns. It has the potential for implementation in underground mines by pressurizing and storing a large amount of air using electrical compressors when excess electricity is available. When a need for discharge emerges, the air is used to spin turbines and produce the necessary volume of electricity. Abandoned or unused mine openings, including shafts, adits, access tunnels, and mined workings of any orientation, offer potential for vast amounts of compressed air energy storage if the site characteristics meet operational requirements; Pumped hydropower storage can be implemented in surface and subsurface mines. In surface mine applications, both reservoirs may be located in a mine pit or artificial reservoirs made of excavated materials. In subsurface mines, the lower reservoir may be implemented by waterproofing and flooding mine shafts and tunnels. The water is then pumped from the lower reservoir to the upper reservoir during periods of low load and high production, and it is discharged through the turbines during periods of peak demand. The potential environmental damages associated with acidity of mine water or the presence of toxic chemicals incentivizes the development of closed-loop technologies, in which water circulates inside the pumped hydropower facility without being discharged into the external water basins; Advanced nuclear energy technologies include small modular reactors, which can be deployed locally to produce electricity and heat. Such units require seismic stability and a supply of cooling water, but population constraints may exist in some areas. Therefore, remote mine land could represent an optimal location for siting advanced nuclear energy technologies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Recent development and manufacturing of coal-derived building materials

Coal has been challenged because coal combustion generates large quantities of carbon dioxide (CO2), which contributes to global warming. Pyrolysis char (PC), a valuable byproduct of coal that does not liberate CO2 when produced in an inert environment, can be used as a high carbon content fuel in combustion and gasification. However, using PC as a fuel is not an eco-friendly and cost-efficient way to make energy. Contrastingly using PC to make engineered products does offer an eco-friendly, attractive and value-added use. This paper introduces a novel integrated coal pyrolysis and solvent extraction process invented by the University of Wyoming (UW) to convert as-mined coal from the Powder River Basin Coal Field, Wyoming, to functional carbon products, which together liberates very little CO2. PC and coal deposit, extract and residual (CDER) are two functional carbon products that can be used in the development and manufacture of high value coal-derived building materials. The novel development of three building products known as coal-derived char bricks (CCB), carbon structural unit (CSU), and char-based insulation foam (CIF) are introduced. The approaches to manufacture them are investigated, including consideration of the eco-friendly approaches, optimization of engineering performance, and cost effectiveness relative to traditional products. CCBs show advantages in terms of their light weight (< 1 g/cm3) and good compressive strength (> 14 MPa). CSUs possess high compressive strength (> 30 MPa) and low thermal conductivity (< 0.3 W/mK), while CIFs can achieve a low thermal conductivity of 0.06 W/mK. Two demonstration houses have been built on UW campus, one using CCBs and another using commercial clay bricks. The performances of these houses are being monitored for temperature control, humidity uptake, noise reduction, inside air volatile organic content, indoor air quality and weatherability. The performance of the CCBs in terms of these criteria is discussed.

Ng, Kam↗

Elucidation of the Active Site for the Oxygen Evolution Reaction on a Single Pt Atom Supported on Indium Tin Oxide

Single-atom catalysts (SACs) have attracted attention for their high catalytic activity and selectivity, but the nature of their active sites under realistic reaction conditions, involving various ligands, is not well understood. In this study, we use Density Functional Theory calculations and grand canonical basin hopping to theoretically investigate the active site for the oxygen evolution reaction (OER) on single Pt atom supported on Indium Tin Oxide, including the influence of the electrochemical potential. We show that the ligands on the Pt atom change from Pt-OH in the absence of electrochemical potential to PtO(OH) 4 in electrochemical conditions. This change of the chemical state of Pt is associated to a decrease of 0.3V for the OER overpotential. This highlights the importance of accurately identifying the nature of the active site under reaction conditions and the impact of adsorbates on the electrocatalytic activity. This theoretical investigation enhances our understanding of SACs for OER.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Economic Case for Replacing High-Emitting Peaker Plants with Fuel Cells for Automotive Applications

The identification of clean and cost-effective solutions to replace high-emitting peaker plants and support a just transition is a challenge faced by utilities across the US today. However, falling costs of hydrogen production as well as the widespread availability of fuel cells for automotive applications have made them an attractive option for a zero-emission peak power supply. This study evaluates the techno-economics, operation, and environmental justice impacts of siting a peaker plant based on fuel cells for automotive applications through the lens of the existing Intermountain Power Plant, in order to supply peak power to the Los Angeles basin. Compared to the fossil fuel-fired peakers in operation today, the fuel cell peaker would be lower-cost up to a 17% capacity factor with Inflation Reduction Act incentives while also reducing air pollution in environmental justice communities. With corresponding transmission upgrades, the Intermountain site could host up to a 5 GW fuel cell peaker in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DISTRIBUTION OF ION-EXCHANGEABLE RARE EARTH ELEMENTS AND CRITICAL MINERALS IN COAL-HOSTED CLAYS OF THE POWDER RIVER BASIN, WY

Increasing demand for a more robust domestic supply of rare earth elements (REE) and critical minerals (CM) has led to significant investigation into unconventional sources. Coal and coal byproducts from the Powder River Basin (PRB) of Wyoming are potential sources of REE but lack complete characterization of mineral hosts including ion-adsorption clays (IACs). IACs, which provide a substantial portion of the global REE supply, form when hydrated REE complexes are physiosorbed to negatively charged sites on clay surfaces. Typical IAC minerals include kaolinite, illite, and smectite. REE complexes are easily leached from IACs via ion exchange, making them economically attractive. However, research regarding the partitioning behaviors of strategic metals into PRB coal-hosted clays is limited. This project aims to quantify the modes of occurrence and distribution of REE and CM in clay minerals derived from PRB coals. Strategic metals investigated in this project have historic production or promising deposits within the PRB and/or high anticipated supply risk, and include: REE (lanthanides and Y), V, Ti, platinum group elements (PGE; Pt, Pd, Rh, Ru, Ir, Os), Al, Co, Ga, Zr, and W. Semi-quantitative compositional data from portable x-ray fluorescence spectroscopy (pXRF) on coal core from the PRB is consistent with the known correlation between REE and Al content, suggesting increased REE abundance will be found in clay-rich units. pXRF data also identifies elevated V, Ti, Co, and Zr correlated with Al. Preliminary x-ray diffraction (XRD) data indicates kaolinite, illite, and dickite are abundant minerals in overburden and clay-rich partings. Quantitative analysis via inductively coupled plasma mass spectrometry (ICP-MS) provides insights into REE and CM fractionation in coals as we compare trace metal occurrence to variations in mineralogy. Additionally, we apply scanning electron microscopy (SEM) and energy dispersive x-ray spectroscopy (EDS) data to correlate clay size and morphology to trace metal occurrence. Our findings supplement a broader effort to couple REE and CM extraction with existing domestic coal production and contribute to the fundamental understanding of adsorption processes that occur in low-temperature basin environments.

Stuart, Sophia↗

Reservoir Thermal Energy Storage Benchmarking (Rev. 3)

A benchmarking analysis of RTES research funded by GTO through the Beyond Batteries projects was conducted against the ESGC to see where they fit within the identified ESGC Use Cases. The projects were found to advance knowledge in multiple ESGC use cases, either directly or in some cases, indirectly as enabling technologies. This analysis is helpful to understand where RTES and associated research fits into the larger discussion around energy storage technologies. Also, a retrospective analysis of the Beyond Batteries projects was conducted to evaluate what the projects learned and how the results can be applied to advance the value of RTES. Major results of each of the studies are summarized in Table 2. Additionally, a comparative metrics analysis for RTES was completed to understand where RTES lies within the energy storage industry. Metrics for evaluation of RTES and its comparison to other storage technologies were selected and ranges of their values compiled. The selected metrics – LCOE (levelized cost of energy), capital costs, roundtrip efficiency, energy storage capacity, and storage time – were chosen based on data availability and have a particularly strong influence on the potential deployment of a storage technology. Charts which compare the metrics are presented in section 4.3 and show ranges for each of the 10 selected technologies. However, due to a lack of domestic operational facilities, values for RTES and for portions of the remaining technologies are based on theoretical modeling and studies of best-case scenarios. LCOE estimates for RTES fall within the lower reaches of Figure 15, but nevertheless amount to 2 – 5 times the ESGC Roadmap goal for LCOE, for example in the Facilitating and Evolving Grid Use Case. Capital costs for RTES sit on the higher end (Figure 16) but are expected to decrease as new projects are developed and the technology is refined. The theoretical roundtrip efficiency reported for RTES varies from mid to high percentages (Figure 17) with efficiencies upwards of 93% in modeled scenarios in the Portland Basin (Bershaw et al.,2020). RTES is also expected to have the largest energy storage capacities and longest storage times, likely matched only by lower efficiency hydrogen storage. To better assess the role that RTES could play in energy storage we examined it’s potential in the U.S. The potential depends on many factors. Recently, many researchers have started looking at deep sedimentary basins, depleted oil and gas fields, and basalt formations as potential targets for RTES development. The United States Geological Survey (USGS) has analyzed various cities and shown substantial RTES potential in the cooling sector (Pepin et al., 2021). By modeling RTES in low-quality groundwater (e.g., brackish), it is shown to be favorable across the U.S. with particular suitability in the Illinois Basin, Coastal Plains, and Basin and Range regions. Seasonal RTES operations have also been modeled in the Portland Basin by those at the USGS and Portland State University to simulate an RTES system supplying heating loads needed for the Oregon Health and Science University. Simulations suggest that high conductive heat loss in the initial years exists but tends to decrease with increasing time and development of the resource due to self-insulating nature of the basalts (Burns et al., 2020). Other national laboratory efforts are taking a close look at many of the technical issues involved with RTES (McLing et al., 2019, McLing et al., 2022). These include difficulties in understanding geochemical, hydrogeological, mechanical, and microbiological changes at such elevated temperatures and operational scenarios. Major gaps in research are identified and suggested for future work. With this increased focus to understand how to make RTES successful in the U.S., this technology could be a potential solution to many of the nation’s energy storage problems. For the energy independence of this country, the DOE should prioritize de-risking this technology by making future investments in pilot-scale demonstrations to attract potential investors.

15 GEOTHERMAL ENERGY↗

Gasification of Coal and Biomass: The Route to Net-Negative-Carbon Power and Hydrogen

One promising process that is a candidate for meeting the goals of the US Department of Energy’s 21st Century Power Plant initiative is to gasify a mixture of coal and biomass to yield a syngas, which can have CO2 removed and then be used to produce hydrogen as well as an off-gas that can be used to flexibly produce power. This concept would overall be carbon net-negative and readily meet the 21st Century Power Plant initiative targets of smaller scale MW generation, high ramp rates and turndown, feedstock flexibility, and high efficiency—at a reasonable cost. Moreover, adding the large-scale production of “ultra-green” hydrogen yields a system tailored for the coming hydrogen economy, providing long-term energy storage and an attractive co-product for sale. The objective of the work being led by the Electric Power Research Institute, Inc. (EPRI), with support by Bechtel Corporation (Bechtel), Gas Technology Institute (GTI), Hamilton Mauer International, Inc. (HMI), Nebraska Public Power District (NPPD), NexantECA, Inc. (Nexant), and Wärtsilä, is to perform a front-end design and engineering (FEED) study on an oxygen-blown gasification system coupled with water-gas shift, pre-combustion CO2 capture, and pressure-swing adsorption working off a coal/biomass mix to yield high-purity hydrogen and a fuel off-gas that can generate power. Several designs are being considered that will be capable of producing 50 MW net from a flexible generator, over 8500 kg/hr of hydrogen, and net-negative CO2 emissions, at an efficiency of 50% net HHV. The plant would be hosted at an NPPD site, where opportunities for enhanced oil recovery and sequestration have been investigated and the need for low-carbon power and hydrogen is imminent. The principal biomass to be used is corn stover—prevalent in Nebraska where the plant will be located—mixed with Powder River Basin (PRB) coal, necessitating a gasifier that can use this feedstock and be flexible to allow other types. Waste plastics will also be reviewed for use. Two oxygen-blown gasifiers have been identified as candidates that have done testing with biomass including corn stover: the GTI gasifier—a high-pressure, fluidized-bed type—and HMI’s, a lower pressure moving-bed type. Both have relative advantages that were investigated in the Phase I design study, with a resultant down select of one system for which the FEED will be performed in Phase II. The technical tasks for the project are: • Design Development: Completion of design activities necessary to provide inputs for the FEED study. Multiple design cases will be assessed with the selection of the optimal one for the FEED. • Investment Case Preparation: Development of the draft investment case for the proposed process with business cases performed for the proposed host site and two other locations. • Host Site Selection: Evaluation of the two potential host sites within NPPD’s portfolio to select the preferred candidate based on technical, economic, and environmental considerations. • Environmental Information Volume (EIV) Development: Completion of the EIV for the host site. • FEED Study: Completion of a FEED study based on the design selected in Phase I. A Greenhouse Gas Life Cycle Analysis will also be performed for the process. • Update Investment Case: Finalization of the investment case based on findings from the FEED. The advantages of the proposed project are significant. Having an engaged U.S. power utility willing to provide a host site that will produce energy from coal plus a deep and experienced team is critical; the process meets all the goals of DOE’s 21st Century Power Plant initiative at an estimated total plant cost of ~$880M and a production cost of hydrogen of ~$2/kg-H2 while producing net-negative carbon power. If developed, this process has real commercial potential in the United States—supported by EPRI’s initial review of the considerable interest from selected U.S. utilities—and elsewhere around the globe. The process has fewer environmental hurdles compared to other concepts, lowering regulatory and protest risks—providing a pathway to preserving the viability of a critical indigenous energy source by transforming its use to match a changing world. This presentation outlines the motivation for the effort, summarizes project plans, work completed to date, results of the Phase I effort and, and detailed work scope for the remainder of the project in the Phase II FEED effort.

01 COAL, LIGNITE, AND PEAT↗

GeoThermalCloud: Machine Learning for Geothermal Resource Exploration

Geothermal is a renewable energy source that can provide reliable and flexible electricity generation for the world. In the past decade, the U.S. Geological Survey's resource assessments, Play Fairway Analyses (PFA), and GeoVision report by the U.S. Department of Energy's Geothermal Technologies Office provided insights on enormous untapped potential for geothermal energy to contribute to the U.S. domestic energy needs. The past studies identified that geothermal resources without surface expression (e.g., blind/hidden hydrothermal systems) comprise a huge potential. These blind systems can significantly increase power generation. But a primary challenge is locating and quantifying these hidden resources, which do not have any thermal manifestations on the surface. PFA has successfully identified some blind systems in the western USA (e.g., specific locations in the Great Basin region within Nevada). However, a comprehensive search for these blind systems can be time-consuming, expensive, and resource-intensive with a low probability of success. Accelerated discovery of these blind resources is needed with growing energy needs and higher chances of exploration success. Recent advances in machine learning (ML) have shown promise in shortening the timeline for this discovery. This paper presents a novel ML-based methodology for geothermal exploration towards PFA applications. Our methodology is provided through our open-source ML framework called GeoThermalCloud \url{https://github.com/SmartTensors/GeoThermalCloud.jl}. GeoThermalCloud uses a series of unsupervised, supervised, and physics-informed ML methods available in SmartTensors AI platform \url{https://github.com/SmartTensors}. Here, the presented analyses are performed using our unsupervised ML algorithm called NMF$k$, which is available in the SmartTensors AI platform. Our ML algorithm facilitates the discovery of new phenomena, hidden patterns, and mechanisms that helps us to make informed decisions. Moreover, the GeoThermalCloud enhances the collected PFA data and discovers signatures representative of geothermal resources. Through GeoThermalCloud, we were able to identify hidden patterns in the geothermal field data needed for the efficient discovery of blind systems. Crucial geothermal signatures often overlooked in traditional PFA are extracted using GeoThermalCloud and analyzed by the subject matter experts to provide ML-enhanced PFA, which is informative for efficient exploration. We applied our ML methodology on various open-source geothermal datasets within the U.S. (some of these are collected by past PFA work), and the results provide valuable insights on resource types within those explored regions. This ML-enhanced workflow makes GeoThermalCloud attractive for the geothermal community to improve existing datasets and extract valuable information often unnoticed during geothermal exploration.

machine learning (ML), geothermal energy↗