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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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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Mechanism of Microseismic Generation During Hydraulic Fracturing - With Evidence From HFTS 2 Observations

The objective of this study is to understand how microseismic events are generated during hydraulic fracturing, as well as the role of geomechanical conditions (i.e., stress and mechanical stratigraphy) in this process. In the industry, microseismic event clouds have been generally used as an “outer-boundary” of the “stimulated reservoir volume” (SRV). However, by comparing with other surveillance data (Low frequency Distributed Acoustic Sensing, or LF-DAS strain) in the Hydraulic Fracturing Test Site (HFTS) 2 experiment, we show that this assumption is fundamentally flawed. The HFTS 2 data has three unique observations that have not been commonly observed in other datasets: 1. Due to influence of offset pad depletion, microseismic data shows that hydraulic fractures from the child well can propagate over 3000 feet into the depleted low stress zone. 2. By comparing microseismic and horizontal fiber LF-DAS strain data, we observe that microseismic event cloud does not necessarily reflect the created hydraulic fracture volume. Particularly, the extent of microseismic event clouds near heel stages are much shorter than what is shown with LF-DAS strain data. 3. Microseismic event magnitudes are larger in the depleted regions. Through geomechanical analysis, we demonstrate that the “bedding-plane-slip” model is likely the mechanism for microseismic generation during hydraulic fracturing. Furthermore, this model successfully explains the above field observations from HFTS 2 experiment. We also provide a quantitative relationship connecting the microseismic event magnitude with fracture width increment and layer mechanical property contrast.

58 GEOSCIENCES↗
DOE OSTI2025

The role of catalyst acidity and microstructure on light olefin selectivity in polyethylene deconstruction in short contact time pulse Joule-heated reactors

The growing volume of plastics waste, compounded with a low recycling rate, has led to an alarming amount of plastics ending up in landfills or being incinerated. While pyrolysis offers a route for plastic waste deconstruction, its product distribution is often broad and poorly controlled due to unselective radical chemistry at high temperatures. We recently demonstrated that rapid pulse Joule-heated catalytic cracking over HZSM-5, combined with small fractions of steam, can achieve high selectivity (>80 %) toward C 2 -C 4 olefins, while significantly reducing coking compared to continuous Joule heating. Here, we investigate how acid catalyst properties, such as silica/alumina ratio, zeolite topology, and catalyst porosity, influence light olefin selectivity during polyethylene deconstruction via rapid pulse Joule heating. We demonstrate that silica-to-alumina ratios of ∼30 yield high light olefin selectivity, and small-pore zeolites favor light olefins at the expense of increased coke formation. To mitigate coking, we synthesize HZSM-5 nanosheets and hierarchical zeolites (MFI, FAU, and CHA). Furthermore, these catalysts achieve an ethylene selectivity of approximately 35 %, a twofold increase over prior catalytic pyrolysis. Additionally, co-feeding steam and incorporating hierarchical porosity reduce coke formation and enhance catalyst stability.

Catalytic cracking↗
DOE OSTI2020

Sequentially coupled flow and geomechanical simulation with a discrete fracture model for analyzing fracturing fluid recovery and distribution in fractured ultra-low permeability gas reservoirs

More accurate characterization and prediction of the in-situ distribution of fracturing fluid in fractured reservoirs are needed for enhancing well productivity. In this study, an implicit-sequentially coupled flow/geomechanics simulator incorporating an efficient discrete fracture model is developed to model fluid distribution and recovery performance of ultra-low permeability gas reservoirs. The finite-volume and finite-element methods are used for space discretization of the flow and geomechanics equations, respectively, while the backward Euler method is employed for time discretization. The flow and geomechanics equations are solved sequentially based on fixed-stress splitting. An efficient discrete-fracture model is used to explicitly model the fractured system. Flexible unstructured gridding is employed to model arbitrarily-oriented fractures. The interrelations among pore volume, permeability and geomechanical conditions are considered dynamically using two-way coupled flow and geomechanics computations. The geometry of fracture (networks) due to hydraulic fracturing has significant impacts on the fracturing fluid recovery efficiency and ensuing fluid distribution. Under the same injection volume, the fracturing fluid recovery is higher when the fracture geometry is planar. Fluid recovery is relatively lower whenever natural fractures are activated during fracturing treatments; flowback time is also shortened when complex fracture network with enlarged fracture interface is present. Fracturing fluid in hydraulic fractures may leak off into the natural fractures and subsequently imbibes into the surrounding matrix due to capillarity effects. The fracturing fluid recovery and in-situ fluid distribution are sensitive to the shut-in duration and fracture closure behavior. This study analyzes the coupled flow-geomechanical responses of fractured gas reservoirs during the post-fracturing periods. Understanding the fate of the fracturing fluid can provide insights on, to some extent, the stimulated fracture volume, size of the water invasion zone, and efficiency of the fracturing design. The simulation predictions can also provide more accurate initial reservoir conditions (e.g. distributions of different phases and pressure) for long-term well performance estimation.

42 ENGINEERING↗
DOE OSTI2020

Rational Designed Mixed-Conductive Sulfur Cathodes for All-Solid-State Lithium Batteries

All-solid-state lithium–sulfur batteries (ASSLSBs) hold great promise for safe and high-energy-density energy storage. However, developing high-performance sulfur cathodes has been proven difficult due to low electronic and ionic conductivities and large volume change of sulfur during charge and discharge. Here, we reported an approach to synthesize sulfur cathodes with a mixed electronic and ionic conductivity by infiltrating a solution consisting of Li 3 PS 4 (LPS) solid electrolyte and S active material into a mesoporous carbon (CMK-3). This approach leads to a uniform dispersion of amorphous Li 3 PS 7 (L 3 PS) catholyte in an electronically conductive carbon matrix, enabling high and balanced electronic/ionic conductivities in the cathode composite. The inherent porous structure of CMK-3 also helps to accommodate the strain/stress generated during the expansion and shrinkage of the active material. In sulfide-based all-solid-state batteries with Li metal as the anode, this cathode composite delivered a high capacity of 1025 mAh g –1 after 50 cycles at 60 °C at 1/8C. This work highlights the important role of high and balanced electronic and ionic conductivities in developing high-performance sulfur cathodes for ASSLSBs.

25 ENERGY STORAGE↗
DOE OSTI2022

Spinel Cu–Mn–Cr Oxide Nanoparticle-Pigmented Solar Selective Coatings Maintaining >94% Efficiency at 750 °C

High-temperature concentrating solar power (CSP) system is capable of harvesting and storing solar energy as heat towards cost-effective dispatchable solar electricity. Solar selective coating is a critical component to boost its efficiency by maximizing solar absorptance and minimizing thermal emittance losses. However, maintaining a high solar-thermal conversion efficiency >90% for long-term operation at ≥750 ºC remains a significant challenge. Herein, we report spray-coated spinel Cu-Mn-Cr oxide nanoparticle-pigmented solar selective coatings on Inconel tube sections maintaining ≥94% efficiency at 750 ºC and ≥92.5% at 800 ºC under 1000x solar concentration after 60 simulated day-night thermal cycles in air, each cycle comprising 12h at 750 ºC/800 ºC and 12h cooling to 25 ºC. The solar spectral selectivity is intrinsic to the band-to-band and d-d transitions of non-stoichiometric spinel Cu-Mn-Cr oxide nanoparticles. Furthermore, this feature offers a large fabrication tolerance in nanoparticle volume fraction and coating thickness, facilitating low-cost and scalable spray-coated high-efficiency solar selective absorbers for high-temperature CSP systems.

14 SOLAR ENERGY↗
DOE OSTI2024

Liquid Fed Pyrolysis of Polyethylene Films: Environmental and Economic Assessments of Co-located and Remotely-Located U.S. Facilities

Polyethylene (PE) films are one of the highest production volume plastic products, but they have very low recycling rates. A novel liquid fed pyrolysis process (LFP) is an advanced recycling technology that can be applied to waste PE films. In this work, two environmental and six economic metrics were evaluated for the LFP process under different scenarios with a baseline production capacity of 8,400 Metric Tons (MT) of pyrolysis products/year. The studied scenarios considered process improvement such as heat integration, changing the final product yields, and location of the LFP process facility (i.e., co-located at a petrochemical facility or located remotely). Results show that producing refined pyrolysis wax in remote areas is the most environmentally favorable and profitable scenario. The LFP process co-located at a petrochemical facility and selling only liquid and gaseous pyrolysis products to the facility would require a capacity of >18,000 MT/year to be economically feasible. Heat integration led to greenhouse gas emission savings of at least 14%, 19%, and 32% for the pyrolysis oil, gas, and wax products, respectively. Fianlly, the LFP process in remote and less populated locations producing a high yield of refined wax may be a feasible solution for increasing recycling rates of PE films.

Advanced recycling↗
DOE OSTI2025

Can the Hock Process Be Used to Produce Phenol from Polystyrene?

Polystyrene (PS) is a widely used thermoplastic polymer, but its very low recycling rate has motivated consideration of chemical conversion strategies to convert waste PS into value-added products. Oxidation methods have been widely studied, but they typically generate benzoic acid, a product with a relatively low market demand. Phenol is a higher volume chemical that would be an appealing target, but no methods currently exist for the conversion of PS into phenol. The repeat unit in PS closely resembles cumene, the primary feedstock used to produce phenol through the Hock process. Here, we investigate prospects for adapting the Hock process to PS, generating hydroperoxides through the autoxidation of benzylic C–H bonds followed by the acid-promoted rearrangement of the hydroperoxides to afford phenol and a partially oxygenated polymer. Experimental and computational studies of dimeric and trimeric PS model compounds show that neighboring phenyl rings impose conformational constraints that raise the barrier to hydrogen-atom transfer from the tertiary benzylic C–H bond. These effects are also evident with PS and contribute to lower yields of phenol when PS is subjected to Hock process conditions. Furthermore, these results provide valuable insights that have important implications for other efforts that seek to adapt small-molecule reactivity to polymeric feedstocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Atmospheric Transport of North African Dust-Bearing Supermicron Freshwater Diatoms to South America: Implications for Iron Transport to the Equatorial North Atlantic Ocean

The equatorial North Atlantic Ocean (NAO) is a nutrient-limited ecosystem that relies on the deposition of long-range transported iron (Fe)-containing aerosols to stimulate primary productivity. Using microscopy, we characterized supermicron and supercoarse mode African aerosols transported to the western NAO in boreal winter/spring. In this work, we detected three particle types including African dust, primary biological aerosol particles, and freshwater diatoms (FDs). FDs contained 4% Fe by weight due to surficial dust inclusions that may be susceptible to chemical processing and dissolution. FDs were typically larger than dust particles and comprised 38% of particles between 10 and 18 μm in diameter. The low density, high surface-area-to-volume ratio, and large aspect ratios of FD particles suggest a mechanism by which they can be carried great distances aloft. These same properties likely increase the residence time of FDs in surface waters thereby increasing the time for Fe dissolution and their potential impact on marine biogeochemical cycles.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

The Cost of Scaling Up in Large-Format Additive Manufacturing

Additive manufacturing (AM) of large objects has, over the last decade, required the scaling of existing material extrusion processes. The current generation of large-scale printers are primarily gantry robots with high-throughput extrusion systems. With workspaces approaching 50 m 3 , these printers have pushed the boundaries of achievable print volume while allowing the utilization of low-cost feedstocks, such as cementitious materials and polymer pellets, like those used in injection molding. Continued workspace expansion requires an examination of the inherent trade-offs, which impact capital and operational costs. Here, in this work, the authors examine these trade-offs to determine fundamental scaling laws for existing system architectures, survey the state of the art for alternative system configurations, and pose recommendations for future system designers to continue the evolution of large-scale AM systems.

3D printing↗
DOE OSTI2025

TT-SFV

The code uses tensor train decompositions to provide a low-rank framework for the stochastic finite volume method.

Walton, Steven↗
DOE OSTI2020

Tritium Pressure Enhancement on the TPBAR Cladding by Physical Processes at the Getter

Tritium for the U.S. nuclear weapon stockpile is produced in tritium producing burnable absorber rods (TPBARs) inserted into Tennessee Valley Authoritys (TVA) light-water nuclear reactors. The rods are stainless steel tubes with a permeation barrier coating and internal components that generate and contain the tritium. The TPBAR incorporates a Ni-plated Zircoloy getter tube to capture tritium and prevent it from reaching the rod cladding and permeating into the environment. Under the conventional view of getter behavior, the tritium pressure outside the getter tube is expected to be limited to the equilibrium vapor pressure of Zr hydride at the temperature of the rod as long as the total hydrogen concentration remains below the capacity of the hydride. Since the tritium pressure is higher within the rod core, this behavior relies on the thin getters ability to hold off a differential tritium pressure. The effective tritium pressure on the cladding can also be enhanced by isotope exchange. Hydrogen ingress through the cladding from the reactor coolant creates a hydrogen pressure on the outer surface of the getter that can exchange with tritium, allowing the tritium partial pressure to increase toward this hydrogen gettering pressure. The goal of this work was to use laboratory-scale experiments to examine these mechanisms and create a model of getter behavior that describes tritium transport within the TPBAR. A third mechanism wherein the concentration at the outer surface of the getter is increased by the temperature gradient within the getter tube wall (the Soret effect) is not experimentally tested but is captured in the model. While not conclusively demonstrated by the experiments due to low pressure, high temperature, and small gap volume conditions, the model shows that when combined, the three mechanisms can explain both the magnitude and time dependence of the tritium release observed for reactor fuel assemblies with TPBARs. The model also shows how various modifications of the TPBAR design can reduce this tritium release into the environment.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2022

CRADA Number NFE-19-07846 with Grid Fruit, LLC (CRADA Final Report)

Cooperative Research and Development Agreement (CRADA) NFE-19-07846 between Oak Ridge National Laboratory (ORNL) and Grid Fruit, LLC (Grid Fruit) focused on simulating, monitoring, and adjusting controls of commercial refrigerator and freezer systems to provide load flexibility and demand response services from these machines. Viewing these medium and low-temp coolers as thermal masses, the volumes of chilled air in these coolers make them time-shiftable loads ripe for deployment at optimal times. Grid Fruit is a startup company developing methods to schedule the chilling cycles (e.g., in “build load” and “shed load” grid events) to provide energy efficiency, peak shifting, and other benefits both to the grid and the broader environment. These benefits can be magnified by coordinating chillers with HVAC, lights, computers, and other loads. Grid Fruit completed simulations and then selected and ordered controls hardware to prove the technology were successful, but the diversity of chiller models in the field without digital controls, as well as limited market demand at present, make further exploration necessary before commercialization.

42 ENGINEERING↗
DOE OSTI2024

Large-Volume Stimulation of Rock for Greatly Enhanced Fluids Recovery using Targeted Seismic-Assisted Hydraulic Fracturing (Final Technical Report)

This project has developed and demonstrated a new technology for large-volume and targeted comminution of rock in low permeability formations to enhance recovery from unconventional oil and gas (UOG) resources. The technology is based on a strategically designed interaction of multiple induced seismic pulses that assist the hydraulic fracturing process to enhance shear and multi-planar crack formation. This greatly increased rock stimulation, through bulk comminution, is expected to cause significant increase in permeability leading to enhancement of recovery factors for sub- surface fluids. The proposed technology is especially applicable for enhanced recovery in emerging UOG plays, such as ductile shales that are resistant to opening-mode fracturing by conventional hydraulic fracturing processes. The project combines an integrated experimental and computation approach to develop and demonstrate a modular technology that can be easily implement in the field to augment current practices. The effort integrates a fundamental scientific understanding of dynamic material response under constraint and damage-induced permeability and porosity enhancements at multiple length scales, along with models of comminution due to the local release of kinetic energy associated with high shear strain rate of dynamic deformation. The results will be validated through small-scale experiments and then implemented in a lab-scale field test to demonstrate the developed technology. The project involves collaboration between a solid mechanician, a materials scientist, and a petroleum engineering geo-mechanician. It builds on a successful history of success and collaboration that includes both fundamental scientific exploration and technology development.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2024

Batch Extraction Studies to Evaluate Trace Element Behavior in PUREX Conditions

The multilab Intentional Forensics Venture is working to identify which stable elements (i.e., taggants) at trace concentrations relative to U would persist throughout the nuclear fuel cycle in a voluntary fuel tagging scheme. A taggant would provide the nuclear forensics community with a “barcode” to help identify nuclear materials found outside of regulatory control. A portion of this project was focused on reprocessing effects and determining which, if any, elements would coextract with U(VI) in standard Pu–U reduction extraction (PUREX) conditions. Elements with a propensity to coextract could, in theory, be used as taggants from a PUREX perspective. Although retention is not a performance requirement, the taggant signature would need to partition predictably from the U stream after the PUREX process to maintain forensic utility. This report documents results from several batch extraction studies with numerous trace elements from HNO 3 (1.5–5 M), with and without U(VI), into 30% tri-n-butyl phosphate (TBP) in kerosene. Extraction and back-extraction tests were used to evaluate nearly 60 elements in surrogate conditions for PUREX, and distribution coefficients (i.e., D-values) for most species were <0.1, indicating few species are likely to co-extract with U through PUREX. Additional studies are needed to optimize sample volumes and dilutions to dial in these low D-values. The D-values (D) were determined for several of the more promising elements, including Re and Se. Ultimately, we conclude that only a limited number of the ~ 60 elements investigated are extractable in the U stream of PUREX, based on measured D values, meaning most candidate elemental taggants would likely be lost at this stage of the nuclear fuel cycle, even when considering a range of acid concentrations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Electromagnetic Design Optimization Integrated with Mechanical Stress Analysis of PM-Assisted Synchronous Reluctance Machine Topologies Enabled with a Blend of Magnets

Permanent Magnet-Assisted Synchronous Reluctance Machines (PMASynRM) provide a low-cost alternative to Surface PM Machines due to the use of relatively lower grades of rare-earth (RE) or RE-free magnets, as the performance degradation due to weaker magnets is compensated by the presence of reluctance torque. However, the weaker magnets suffer from a high risk of demagnetization, leading to unreliable motor operation. Using a blend of RE and RE-free magnets has the potential to overcome this issue. This paper proposes to blend different grades of various rare-earth (RE) and rare-earth-free (RE-free) magnets in six different combinations and utilizes them in two-layer and three-layer U-shaped PMASynRM topologies with both eight-pole and six-pole variations. The rotor of the various designs is then optimized using a differential evolution (DE) based optimization algorithm to obtain low-cost designs with reduced RE magnet volume and minimum demagnetization risk. The optimization of each design is also integrated with the evaluation of mechanical stresses in the rotor laminations so as to maintain the stresses below the material yield strength. Furthermore, the various performance metrics, such as toque–speed/power–speed characteristics, demagnetization, and efficiency maps, are evaluated for each of the optimized and mechanically feasible designs. A quantitative comparison of the various optimized designs is also obtained to highlight the various trade-offs. The results indicate the feasibility of meeting the baseline torque requirement across the entire speed range, even with a 100% reduction in RE magnet volume and less than 5% demagnetization risk, while achieving a cost reduction exceeding 50%. Moreover, the two-layer, eight-pole designs exhibit relatively higher performance, whereas the three-layer, eight-pole designs are found to be the most economical option.

design optimization↗
DOE OSTI2026

Galaxy Size and Rotation Curve Diversity in ΛCDM with Baryons

The observed rotation curves of dwarf galaxies exhibit significant diversity at fixed halo mass, challenging galaxy formation within the cold dark matter (CDM) model. Previous cosmological galaxy formation simulations with baryonic physics fail to reproduce the full diversity of rotation curves, suggesting that there is a flaw in baryonic feedback models, observational bias, or that an alternative to CDM must be invoked. In this work, we use the Marvelous Massive Dwarf zoom-in simulations, a suite of high-resolution dwarf simulations with M 200 ∼ 10 10 –10 11 M ⊙ and M * ∼ 10 7 –10 9 M ⊙ , designed to target the mass range where the galaxy rotation curve diversity is maximized, i.e., between and 100 km s −1 . We add to this a set of low-mass galaxies from the Marvel Dwarf Zoom Volumes to extend the galaxy mass range to lower values. Our fiducial star formation and feedback models produce simulated dwarfs with a broader range of rotation curve shapes, similar to observations. These simulations both create dark matter cores via baryonic feedback, reproducing the slower-rising rotation curves, while also allowing for compact galaxies and steeply rising rotation curves. Our simulated dwarfs also reproduce the observed size–M * relation, including scatter, producing both extended and compact dwarfs for the first time in simulated field dwarfs. However, the slowly rising and high baryon mass fraction, as well as the steeply rising and low baryon mass fraction, remain missing. We explore star formation and feedback models and conclude that previous simulations may have had feedback that was too strong to produce compact dwarfs.

Cruz, Akaxia [Flatiron Institute, New York, NY (Un↗
DOE OSTI2022

Interpretation of HFTS 2 Microseismic Data Using Bedding-Plane-Slip Mechanism

Summary The objective of this study is to understand how microseismic events are generated during hydraulic fracturing, as well as the role of geomechanical conditions (i.e., stress and mechanical stratigraphy) in this process. In the industry, microseismic event clouds have been generally used as an “outer boundary” of the “stimulated reservoir volume” (SRV). However, by comparing with other surveillance data (low-frequency distributed acoustic sensing, or LF-DAS, strain) in the Hydraulic Fracturing Test Site (HFTS) 2 experiment, we show that this assumption is fundamentally flawed. The HFTS 2 data have three unique observations that have not been commonly observed in other datasets: (1) Due to the influence of offset pad depletion, microseismic data show that hydraulic fractures from the child well can propagate over 3,000 ft into the depleted low-stress zone. (2) By comparing microseismic and horizontal fiber LF-DAS strain data, we observe that the microseismic event cloud does not necessarily reflect the created hydraulic fracture volume. Particularly, the extent of microseismic event clouds near heel stages is much shorter than what is shown with LF-DAS strain data. (3) Microseismic event magnitudes are larger in the depleted regions. Through geomechanical analysis, we demonstrate that the “bedding-plane-slip” model is likely the mechanism for microseismic generation during hydraulic fracturing. This model successfully explains the above field observations from the HFTS 2 experiment. We also provide a quantitative relationship connecting the microseismic event magnitude with fracture width increment and layer mechanical property contrast.

Engineering↗
DOE OSTI2026

Connecting Current and Future Dual Active Galactic Nucleus Searches to LISA and Pulsar Timing Array Gravitational-wave Detections

Abstract Dual active galactic nuclei (DAGN) mark the observable stage of massive black hole (MBH) pairing during galaxy mergers and are the progenitors of the MBH binaries that generate low-frequency gravitational waves. Using the large-volume ASTRID cosmological simulation, we construct mock DAGN catalogs tailored to the selection functions of current (COSMOS-Web and DESI) and forthcoming (Nancy Grace Roman Space Telescope (Roman) and Lynx X-ray Observatory (Lynx)) surveys, enabling direct comparisons between simulations and observations. With realistic observational selections, ASTRID reproduces the observed dual fractions, projected separations, and host-galaxy properties across redshifts. We predict a substantial population of small-separation (<5 kpc) duals that remain inaccessible to current surveys, demonstrating that the apparent paucity of subkiloparsec systems in COSMOS-Web is primarily a consequence of observational selection rather than an intrinsic absence. Following each simulated dual to coalescence, we show that DAGN are effective tracers of MBH mergers: ∼30%–70% merge within ≲1 Gyr, and 20%–60% of these mergers produce gravitational-wave signals detectable by the Laser Interferometer Space Antenna (LISA). Duals observable with Roman and Lynx are the progenitors of ∼10%–50% of low-redshift LISA sources and contribute ∼30% of the PTA-band stochastic gravitational-wave background. We further identify massive green-valley galaxies hosting moderate-luminosity active galactic nuclei (AGN), together with massive star-forming galaxies containing bright quasars at z > 1, as the environments most likely to host imminent MBH binaries. These results establish a unified cosmological framework connecting DAGN demographics, MBH binary evolution, and gravitational-wave sources, while identifying high-priority targets for coordinated electromagnetic and multimessenger observations in the coming decade.

Chen, Nianyi [Max-Planck-Institut für Astrophysik;↗