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

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People are like plutonium

An analogy is drawn between the study of human behavior and the study of plutonium to demonstrate that soft and hard sciences are more similar than different, making the distinction moot and unproductive. The studies of human behavior and plutonium follow a common scientific research cycle that aligns with Thomas Kuhn’s views of scientific change. This common research cycle provides evidence that the thought processes and methodologies required for success are congruent in the soft and hard sciences. The primary implication from this analogy is that scientists in all disciplines should eradicate the distinction between soft and hard sciences. Focusing on similarities rather than differences among researchers from different disciplines is necessary to enhance collective intelligence and the type of transdisciplinary collaboration required to tackle difficult sociotechnical problems. CCS Concepts: • Social and professional topics • User characteristics • Cultural characteristics.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Wassersplines for Neural Vector Field-Controlled Animation

Much of computer-generated animation is created by manipulating meshes with rigs. While this approach works well for animating articulated objects like animals, it has limited flexibility for animating less structured free-form objects. Here we introduce Wassersplines, a novel trajectory inference method for animating unstructured densities based on recent advances in continuous normalizing flows and optimal transport. The key idea is to train a neurally-parameterized velocity field that represents the motion between keyframes. Trajectories are then computed by advecting keyframes through the velocity field. We solve an additional Wasserstein barycenter interpolation problem to guarantee strict adherence to keyframes. Our tool can stylize trajectories through a variety of PDE-based regularizers to create different visual effects. We demonstrate our tool on various keyframe interpolation problems to produce temporally-coherent animations without meshing or rigging.

97 MATHEMATICS AND COMPUTING↗

QASMBench: A Low-Level Quantum Benchmark Suite for NISQ Evaluation and Simulation

The rapid development of quantum computing (QC) in the NISQ era urgently demands a low-level benchmark suite and insightful evaluation metrics for characterizing the properties of prototype NISQ devices, the efficiency of QC programming compilers, schedulers and assemblers, and the capability of quantum system simulators in a classical computer. In this work, we fill this gap by proposing a low-level, easy-to-use benchmark suite called QASMBench based on the OpenQASM assembly representation. It consolidates commonly used quantum routines and kernels from a variety of domains including chemistry, simulation, linear algebra, searching, optimization, arithmetic, machine learning, fault tolerance, cryptography, and so on, trading-off between generality and usability. To analyze these kernels in terms of NISQ device execution, in addition to circuit width and depth, we propose four circuit metrics including gate density, retention lifespan, measurement density, and entanglement variance, to extract more insights about the execution efficiency, the susceptibility to NISQ error, and the potential gain from machine-specific optimizations. Applications in QASMBench can be launched and verified on several NISQ platforms, including IBM-Q, Rigetti, IonQ and Quantinuum. For evaluation, we measure the execution fidelity of a subset of QASMBench applications on 12 IBM-Q machines through density matrix state tomography, comprising 25K circuit evaluations. In addition we also compare the fidelity of executions among the IBM-Q machines, the IonQ QPU and the Rigetti Aspen M-1 system.

97 MATHEMATICS AND COMPUTING↗

Constructing Neural Network Based Models for Simulating Dynamical Systems

Dynamical systems see widespread use in natural sciences like physics, biology, and chemistry, as well as engineering disciplines such as circuit analysis, computational fluid dynamics, and control. For simple systems, the differential equations governing the dynamics can be derived by applying fundamental physical laws. However, for more complex systems, this approach becomes exceedingly difficult. Data-driven modeling is an alternative paradigm that seeks to learn an approximation of the dynamics of a system using observations of the true system. In recent years, there has been an increased interest in applying data-driven modeling techniques to solve a wide range of problems in physics and engineering. Here this article provides a survey of the different ways to construct models of dynamical systems using neural networks. In addition to the basic overview, we review the related literature and outline the most significant challenges from numerical simulations that this modeling paradigm must overcome. Based on the reviewed literature and identified challenges, we provide a discussion on promising research areas.

97 MATHEMATICS AND COMPUTING↗

Data Readiness for AI: A 360-Degree Survey

Artificial Intelligence (AI) applications critically depend on data. Poor-quality data produces inaccurate and ineffective AI models that may lead to incorrect or unsafe use. Evaluation of data readiness is a crucial step in improving the quality and appropriateness of data usage for AI. R&D efforts have been spent on improving data quality. However, standardized metrics for evaluating data readiness for use in AI training are still evolving. In this study, we perform a comprehensive survey of metrics used to verify data readiness for AI training. This survey examines more than 140 papers published by ACM Digital Library, IEEE Xplore, journals such as Nature, Springer, and Science Direct, and online articles published by prominent AI experts. This survey aims to propose a taxonomy of data readiness for AI (DRAI) metrics for structured and unstructured datasets. We anticipate that this taxonomy will lead to new standards for DRAI metrics that would be used for enhancing the quality, accuracy, and fairness of AI training and inference.

97 MATHEMATICS AND COMPUTING↗

All-digital Sensor System for Distributed Downhole Pressure Monitoring in Unconventional Fields

This project developed and validated (through field tests) a new low-cost all-digital pressure sensing technology for in situ distributed downhole pressure monitoring in unconventional oil and gas (UOG) fields. The all-digital sensing technology uses a built-in non-electric analog-to-digital converter (ADC) to transform the pressure information into a combination of binary (ON/OFF) states. As such, the system does not need downhole electronics for signal conditioning and telemetry. The all-digital sensors can be remotely logged over a long distance, and many sensors can be multiplexed for distributed sensing. Based on a review of unconventional wells in the Lower 48 states, the specification of the sensor is to measure pressure up to 69 MPa (10,000 psi) and temperature up to 250°C. A sensor with a helical bourdon sensing element and a digital signal decoder of 50 mm diameter and 109 mm length was constructed. The helical bourdon sensing element was made of 304L stainless steel and filled with motor oil. The digital converter was made up of 8 digital reading pads constructed of high-temperature epoxy with conductive inserts made of stainless steel. The sensor had a linear response to pressure with an accuracy of 0.14 MPa (20 psi). To withstand the high pressure, the sensor was enclosed in a stainless-steel pressure housing with a wall thickness of 5.5 mm, a diameter of 73 mm, and a length of 724 mm. In the laboratory tests, the sensor exhibited no temperature-related effects on the results. The sensor did not show drift over a 14-day test period at elevated pressure. A field test was conducted where the sensor was deployed in a test wellbore at the Quest drilling test facility to a depth of 0 feet over three weeks. The sensor was attached to the production rods, along with a downhole reference sensor of PPS27 type, which is a permanent downhole monitoring system. During the testing phase, the test well annular blow-out preventer was closed, and the well was pressurized at the surface to 11 MPa (1600 psi). The sensor read the elevated bottom hole pressure of 1500 psi. A multiplexing unit was created for the sensor to deploy multiple sensors on one data transmission line in a distributed approach. The multiplexing unit was tested in a simulated environment of 3048 m (10,000 ft) with five sensors distributed. The sensors were pressurized at different intervals. The multiplexed sensors recorded the correct pressure, and the multiplexing did not interfere with the readings. The proposed concept of an all-digital pressure sensor for harsh downhole environments was designed, manufactured, and tested in the laboratory and tested at the field to a up to 69 MPa and 250°C. This technology has high-temperature tolerance and has potential in downhole areas outside oil and gas, such as carbon capture and storage (CCS) and geothermal wells. The sensor concept has been proven in this project, but to create a commercially viable product, manufacturing a sensor with a smaller diameter needs to be performed.

02 PETROLEUM↗

Evaluation of Improvements in Storage Efficiencies, Containment, Assurance, CO 2 Plume Movement, and Verification of Storage Technologies

This report summarizes some of the evolving improvements in key technical skills that are developing to support a large-scale commercial application of CCS as well as support rapidly increasing interest in carbon negative technologies. It does not attempt to review relatively well-known processes and procedures that are familiar to many CCS experts; rather focuses on novel concepts that have the potential to provide breakthroughs and add high benefit as projects evolve. Some elements described are in development or not yet proven ideas for which we provide an expression of status of confidence at the time of writing. Topics covered are evaluation of improvements in storage efficiency estimation, containment assurance methods, CO 2 plume movement and pressure prediction, and monitoring and verification of storage methods.

54 ENVIRONMENTAL SCIENCES↗

Multiscale Electricity Modeling for Evaluating Carbon Capture and Sequestration Technologies (Final Report)

Carbon capture and sequestration (CCS) technologies that can operate with a high degree of operating flexibility could provide necessary electric grid flexibility in a system with high shares of variable renewables. This project examines the deployment and dispatch potential of twelve unique flexible CCS (FLECCS) technologies that encompass post-combustion carbon dioxide (CO 2 ) capture designs, concepts using a storage media to enable energy arbitrage, and hybrid processes that integrate CCS with direct air capture (DAC) for flexibility with net zero or negative CO 2 emissions. FLECCS technology potential is explored with a multi-model, multi-scale framework including the Regional Energy Deployment System (ReEDS) electric sector capacity expansion model (CEM) and the PLEXOS production cost model (PCM). Innovative methods were developed to represent FLECCS technology operating modes, performance, and cost in the two models. ReEDS was then used to simulate nine scenarios for each FLECCS technology, three CO 2 emissions price futures reaching $\$$150, $\$$225, and $\$$300/tCO 2 in 2050; and three scenarios for FLECCS technology deployment favorability relative to competing technologies. For each CO 2 price and reference FLECCS favorability, the 2050 infrastructures from ReEDS model are downscaled and implemented in PLEXOS to examine hourly dispatch under detailed operational constraints that are not included in ReEDS. FLECCS technologies exhibited a wide range of deployment potential ranging from none to several hundred gigawatts of capacity, with outcomes highly sensitive to input cost and performance parameters that are inherently highly uncertain. When deployed, FLECCS tended to displace a combination of wind, solar, and natural gas-based technologies rather than supporting increased renewable deployment. As a result, CO 2 emissions reductions facilitated by FLECCS deployment tended to come with higher overall system costs and electricity prices. When economically competitive, FLECCS technologies can contribute significant flexible generation and firm capacity to the grid, but continued technology development and an expanded analytical scope are necessary to fully understand FLECCS deployment potential its impact on the electric power sector. Follow-on analysis incorporating captured CO 2 tax credit value from the Inflation Reduction Act (IRA) and other potential policy scenarios could be particularly valuable, as this policy can substantially change the relative competitiveness of FLECCS technologies.

03 NATURAL GAS↗

Minimizing exposure to legacy wells and avoiding conflict between storage projects: Exploring area of review as a screening tool

Elevated pressure from large-volume injection is a key driver of risk and project cost. If transmissive features (e.g., non-isolating wells or fracture systems) are present, increased injection-zone pressure can drive fluids from depth toward protected freshwater resources. In US Carbon Capture and Storage (CCS) law, the area at risk is known as the Area of Review (AoR). The size and number of potentially transmissive features to be evaluated and possibly remediated or managed is a function of the size and location of the AoR. The size of the AoR depends on several variables, including properties of the injection zone, properties of protected resources, and injection rate and duration. Evaluation of the intersection of these variables across a portfolio of sites highlights the injection zone depth and boundary conditions as top-level controls. Deep injection, use of multiple stacked injection zones, reduced injection rate and choice of injection well location can all be used to minimize AoR and the number of potentially transmissive features within it. Here, we introduce the concept of pressure space (defined as connected pore volume times pressure) as the key subsurface commodity for CO 2 storage and we suggest that it forms a more robust basis for leasing and regulation than pore space alone.

58 GEOSCIENCES↗

Illinois Storage Corridor - CarbonSAFE Phase III: Policy, Regulatory, Legal and Permitting Characteristics; Subtask 5.5

The Illinois Storage Corridor (ISC) project aims to advance the commercial development and implementation of carbon capture and storage (CCS) technologies within a region in Illinois of suitable geology for carbon dioxide (CO 2 ) storage in deep saline aquifers. The project partners have annual emissions greater than 6.5 million tonnes per year; storage hubs are being explored at two sites—one near the One Earth Energy facility in east-central Illinois, and one near the Prairie State Generating Company campus in southwest Illinois. To implement the technology, legal, policy, and economic considerations must be explored. The United States Environmental Protection Agency (US EPA) administers the Underground Injection Control (UIC) program and is responsible for issuing Class VI permits to construct and operate CO 2 injection wells, i.e., a UIC Class VI well permit is required to inject CO 2 into the subsurface for geologic sequestration. The largest consideration of the Class VI well requirements is to protect underground sources of drinking water (USDWs). Additionally discussed are considerations for Class VI permits relating to public engagement. Besides permitting, property rights to storage sites, subsurface pore spaces, and areas for pipeline transportation must be secured. Pore space rights is still a novel concept being explored and not yet addressed by the Illinois legislature. It is believed that surface property rights are required for the subsurface pore space below, so long as there is not a separated mineral estate in the subsurface. Illinois legislature has addressed securing rights-of-way for CO 2 transportation, allowing for easements and the exercise of eminent domain to secure such rights. Economically, the incentives for CCS are ever-expanding. Recently, the federal government broadened the availability and increased the dollar-amounts for the § 45Q tax credits for geological storage of carbon oxides. Congress has also authorized the Advanced Industrial Facilities Development Program which allocates billions of dollars in funds to installing technology at industrial facilities to reduce greenhouse gas emissions. On the state level, Illinois has had its own incentives for CCS projects since 2009 and expanded its emission-related goals again in 2021. The law enacted in 2021 specifically creates a commission to explore implementing CCS at Prairie State Generating Company, a partner on the Illinois Storage Corridor project.

54 ENVIRONMENTAL SCIENCES↗

Implementing Large-Scale CCS in Complex Geologic Reservoirs: Insights from Three Appalachian Basin Case Studies

This paper presents three design case studies for implementing large-scale geologic carbon storage in the Appalachian Basin region of the midwestern United States. While the Appalachian Basin has a challenging setting for carbon storage, the three case studies detailed in this article demonstrate that there are realistic options for implementing carbon storage in the basin. Carbonate rock formations, depleted hydrocarbon reservoirs, and moderate-porosity sandstones can be utilized as carbon-storage reservoirs in the Appalachian Basin. While these are not typical concepts for CO2 storage, the storage zones have advantages such as defined trapping mechanisms, multiple caprocks, and defined boundaries that are not always present in thick, permeable sandstones being targeted for many carbon-storage projects. The geologic setting, geotechnical parameters, and hydrologic setting for the three case studies are provided, along with the results of reservoir simulations of the CO2 injection-deployment strategies. The geological rock formations available for CO2 storage in the Appalachian Basin are more localized reservoirs with defined boundaries and finite storage capacities. Simulation results showed that accessing carbon-storage resources in these fields may require wellfields with 2–10 injection wells. However, these fields would have the capacity to inject 1–3 million metric tons of CO2 per year and up to 90 million metric tons of CO2 in total. The CO2 storage resources would fulfill decarbonization goals for many of the natural-gas power plants, cement plants, hydrogen plants, and refineries in the Appalachian Basin region.

Sminchak, Joel↗

Capabilities Development at the University of Texas at El Paso for Hydrogen Generation Research and Education

Gasification-based systems have recently received much attention due to their capability of converting wastes into useful fuels. The gasification of biomass, municipal solid waste (MSW), plastics, and other sustainable resources has shown promise in hydrogen production. When coupled to a CCU or CCS unit, these systems have the potential to achieve carbon neutrality or carbon-negative emissions. In addition, these systems have an edge over conventional incineration or landfill systems by reducing greenhouse gas emissions and recovering useful energy. However, the gasification of MSW and other wastes is still in its early stages. In particular, co-gasification of wastes with biomass has significant unknowns in optimizing the reaction kinetics, operability, design and performance improvements. Currently, Supercritical Water Gasifiers (SCWG) and Plasma Gasifiers are the major systems that are capable of producing high hydrogen amounts from Biomass and MSW, respectively. However, both systems have high capital and operating costs, adversely affecting efficiency and the hydrogen production cost. Additionally, due to lower temperatures, SCWGs are prone to tar formation and fouling in the heat exchangers. Hence, there is a need to look for alternative solutions for MSW and biomass gasifications, particularly in co-gasification. The current effort aims to develop a strategic plan to establish a sustainable gasification facility for hydrogen research at the University of Texas at El (UTEP). A major part of this effort involves an extensive literature survey to identify technological gaps and potential areas of interest. Several concepts were developed in accordance with the current demands from the literature survey. Based on the concepts, a center-wide capability assessment was conducted to measure the current capacity and feasibility of establishing hydrogen research. Afterward, a strategic research plan was developed, and a list of required resources was made for the expansion of hydrogen research at UTEP. In addition, successful partnerships with the local county and the city were developed to pursue hydrogen research. The strategic goal setting and planning of UTEP Aerospace Center resulted in securing $2.5 million in external support to expand the hydrogen research during the project performance period. In addition, during the project period, a course in Hydrogen Energy Systems was developed to expand the energy curriculum at the UTEP Aerospace and Mechanical Engineering Department. The course focused on hydrogen production, storage, supply and delivery and application. The cross-listed course was offered at both undergraduate and graduate levels during the Spring 2024 semester and had 27 enrolled students. Moreover, the students supported under this award were trained in gasification process modeling, CAD, CFD and FEA during the project period. The training enabled the students to move into new projects to support gasification design, integrated gasification combined cycle process plant analysis, gasifier structural and operational analysis, and digitally threading the systems.

08 HYDROGEN↗

A Play-Based Exploration of CO 2 Storage in the Illinois Basin (Final Technical Report)

This report documents the results of "A Play-Based Exploration of CO₂ Storage in the Illinois Basin" (DE-FE0032366), a project funded by the U.S. Department of Energy Office of Fossil Energy and Carbon Management and conducted by the Illinois State Geological Survey (ISGS) at the University of Illinois Urbana-Champaign in partnership with Visage Energy. The project adapted play-based exploration (PBE), a systematic basin-scale evaluation methodology from the petroleum industry, to screen areas of Illinois for commercial geologic carbon storage (GCS) in Cambro-Ordovician strata. The traditional play concept was expanded to encompass three play element groups, subsurface geologic factors, surface features, and societal factors, yielding 24 play elements with defensible suitability criteria applied through a five-tier classification scheme. An integrated geospatial database was assembled from ISGS, MGSC, MRCI, NATCARB, and public data sources, supported by significant data-improvement work including correction of legacy well locations, digitization of more than 1,300 well construction records using the DOE CATALOG team's OGRRE tool, compilation of a statewide 2D seismic database, and production of a refined fault and fold geodatabase.

58 GEOSCIENCES↗

Building an EPA Class VI Permit Application

Summary To accelerate the commercialization of carbon capture and storage (CCS), the US Department of Energy (US DOE) is building on decades of characterization efforts and pilot-scale projects through their CarbonSAFE program. Administered through their National Energy Technology Laboratory, this program seeks to bring fully integrated projects to the sector that can store more than 50 million tonnes of CO2 over a 30-year period. The program, which was enacted before the enhancement of Internal Revenue Code Section 45Q, is in the capture assessment, characterization, and permitting phase. The objectives of this paper are to discuss (a) the injection permitting requirements of the CarbonSAFE projects; (b) information gathering in support of the permit; (c) the timelines of field development and permit-related activities; (d) the major technical components of the field development plan; and (e) early feedback from the regulators toward acceptance of the permit. In Mississippi, more than 30,000 acres have been characterized by six deep characterization wells, a deep groundwater well, and 92 line miles of 2D seismic as part of the CarbonSAFE Project ECO2S. During the acquisition of seismic data, all receiver lines were live, which resulted in the generation of a pseudo-3D seismic design. The incorporation of a 3D seismic survey was not included as part of this project due to logistical difficulties presented by the undulating, wooded surface terrain. A suite of openhole geophysical logs was taken from each well, allowing for a detailed interpretation of prospective storage reservoirs and confining intervals to complement the analysis carried out on the 290 ft of a whole core that was cut through the prospective confining zone and storage reservoir. The detailed geologic and reservoir data were assembled and entered into a 3D model to assess the injection capacity and the area of review (AoR). This information fed into the detailed corrective action, monitoring, testing, and postinjection site care (PISC) modeling. The results have been exceptional. The geologic assessment has revealed three primary storage targets, ranging in depth from 3,500 ft to 6,000 ft. These storage reservoirs net 1,300 ft of sandstone, with mean porosity and permeability of 29% and 3.6 darcies, respectively. Together, these reservoirs have storage capacities that may exceed 20 million tonnes per square mile, making this a gigatonne prospect. Forward modeling of the project resulted in an AoR of 16 sq miles, injecting about 8000 t/d, for 30 years, via two deep injection wells. The excellent confining characteristics of the caprock, relatively simple geologic structure, and lack of historical well drilling activity in this area provide excellent containment of the injected CO2. Based on this work, the project has proposed 20 years of PISC. To date, only two US CO2 injection permits have been granted. These projects relied on a singular capture point feeding a singular sequestration point (source to sink), and considerations have not been made to garner CO2 emissions from other industrial sources. The Kemper County Storage Complex is a first-of-its-kind storage hub concept that looks to develop an area capable of storing significant quantities of CO2 from the region. Also, this work will show how characterization efforts, geological and numerical modeling efforts, and plan development were constructed in support of permit and incentives acceptance.

Energy & Fuels↗

MIBiG 4.0: advancing biosynthetic gene cluster curation through global collaboration

Specialized or secondary metabolites are small molecules of biological origin, often showing potent biological activities with applications in agriculture, engineering and medicine. Usually, the biosynthesis of these natural products is governed by sets of co-regulated and physically clustered genes known as biosynthetic gene clusters (BGCs). To share information about BGCs in a standardized and machine-readable way, the Minimum Information about a Biosynthetic Gene cluster (MIBiG) data standard and repository was initiated in 2015. Since its conception, MIBiG has been regularly updated to expand data coverage and remain up to date with innovations in natural product research. Here, we describe MIBiG version 4.0, an extensive update to the data repository and the underlying data standard. In a massive community annotation effort, 267 contributors performed 8304 edits, creating 557 new entries and modifying 590 existing entries, resulting in a new total of 3059 curated entries in MIBiG. Particular attention was paid to ensuring high data quality, with automated data validation using a newly developed custom submission portal prototype, paired with a novel peer-reviewing model. MIBiG 4.0 also takes steps towards a rolling release model and a broader involvement of the scientific community. MIBiG 4.0 is accessible online at https://mibig.secondarymetabolites.org/.

59 BASIC BIOLOGICAL SCIENCES↗