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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Ohm’s Law, the Reconnection Rate, and Energy Conversion in Collisionless Magnetic Reconnection

Magnetic reconnection is a ubiquitous plasma process that transforms magnetic energy into particle energy during eruptive events throughout the universe. Reconnection not only converts energy during solar flares and geomagnetic substorms that drive space weather near Earth, but it may also play critical roles in the high energy emissions from the magnetospheres of neutron stars and black holes. In this review article, we focus on collisionless plasmas that are most relevant to reconnection in many space and astrophysical plasmas. Guided by first-principles kinetic simulations and spaceborne in-situ observations, we highlight the most recent progress in understanding this fundamental plasma process. We start by discussing the non-ideal electric field in the generalized Ohm’s law that breaks the frozen-in flux condition in ideal magnetohydrodynamics and allows magnetic reconnection to occur. We point out that this same reconnection electric field also plays an important role in sustaining the current and pressure in the current sheet and then discuss the determination of its magnitude (i.e., the reconnection rate), based on force balance and energy conservation. This approach to determining the reconnection rate is applied to kinetic current sheets with a wide variety of magnetic geometries, parameters, and background conditions. We also briefly review the key diagnostics and modeling of energy conversion around the reconnection diffusion region, seeking insights from recently developed theories. Finally, future prospects and open questions are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

A comparative TEA of a two-step process using chemical solvents for producing an ultra-sweet natural gas

Here, a comprehensive Techno-Economic Analysis (TEA) was performed to evaluate the economic feasibility of a novel two-step process (TSP) developed in Aspen Plus V12.1 to desulfurize and decarbonize a raw natural gas containing (2 mol% H 2 S and 5 mol% CO 2 ) into an ultra-sweet natural gas containing (1.72 ppmv H 2 S and 4.19 ppmv CO 2 ). The raw natural gas flow rate used in the TSP was 117.74 kg/s at 60 °C and 50 bar. The TSP combines an H 2 S desulfurization step using potassium carbonate (K 2 CO 3 ) and a CO 2 capture step using 3 different chemical solvents, monoethanolamine (MEA), sodium glycinate (SGS), and potassium glycinate (PGS). Both steps employ fixed-bed absorbers packed with Mellapak 250Y structured packing. The hydraulics and mass transfer characteristics for the TSP were calculated, indicating normal operation with higher gas-side (k G ) than liquid-side (k L ) mass transfer coefficients. The TEA of TSP indicated that PGS had the most promising economic feasibility among the 3 solvents as it exhibited the lowest Levelized Cost of CO 2 capture (LCOC) of $\$$47.54/ton.CO 2 at a Capital Expenditure (CAPEX) of $\$$24.98 million, and an Operating Expenditure (OPEX) of $\$$12.20 million/year. Also, the TSP could produce one MMSCF of ultra-sweet natural gas at a total cost of $\$$339.55.

03 NATURAL GAS↗
DOE OSTI2025

Multiphase computational fluid dynamics modeling of reacting flows in absorption columns for carbon capture

First-principles derived computational fluid dynamics (CFD) simulations have been proposed as a fundamental tool for investigating solvent-based CO 2 absorption in packed columns due to their ability to accurately represent the underlying nonlinear, multiscale dynamics. Numerous studies have previously utilized such CFD simulations to investigate hydrodynamics of columns with structured and random packings by assessing the key hydrodynamic metrics such as the interfacial and wetted areas. While mapping such metrics for different conditions is essential to the optimization of absorption columns, it is not sufficient, as the CO 2 capture rate depends also on the coupled, nonlinear dynamics from the underlying chemical reaction kinetics, thermodynamics, and heat-transfer rates. In this work, we present detailed CFD simulation results augmented by incorporating the effects of interfacial physical mass transfer of CO 2 , heat release from chemical reaction kinetics, and thermophysical property variations from resulting temperature gradients. We demonstrate the applicability of the proposed approach in numerically assessing the performance of packed columns by evaluating key hydrodynamic quantities, CO 2 absorption rates, and temperature rise in a reference column with packings that are structurally similar to the Sulzer Mellapak™ 250.Y packing, for different solvent inflow velocities and temperatures. Predictions from simulation results are found to be consistent with the trends in experimental observations from the literature, suggesting that the predictive capabilities of the simulation framework can be leveraged to guide the future development of absorber-column designs and optimized process flowsheets.

Absorption columns↗
DOE OSTI2026

Statorless mixed flow turbine for transonic pulsating inflow

Effective harvesting of power from high speed highly transient inflows such as the outflow of rotating detonation combustors (RDCs) is key to achieving their promised cycle efficiency step jump. To increase power density and efficiency simultaneously, a concept that can directly ingest transonic outflow, addressing the choking is needed, i.e. without additional transition elements. A new statorless design was assessed using a comprehensive approach to quantify all contributions to loss generation in transient flows, locally and globally. The turbine rotor was designed under steady flow conditions with a genetic algorithm. The comparison of power and loss generation between steady and unsteady flow results shows that a design methodology under steady-state conditions is suitable to characterize the performance of different designs. Three design families were further assessed under highly transient transonic conditions including traveling shock waves with a relative total pressure amplitude of 149.6% around the mean value and inflow angle variations from -26.5 deg to +51.8 deg. The oblique shock impinging on the pressure side (PS) of the turbine augments the shaft power extraction. When the oblique shock reflects between the pressure side and suction side (SS), its strength diminishes. This paper provides design guidelines on efficient turbine work extraction from the shocks emanating from detonation combustors.

rotating detonation engines↗
DOE OSTI2025

Deep learning model for fast, science-based forecasting of fluid migration along faults in geologic carbon storage scenarios

Effective long-term geologic storage depends on robust site selection and credible, science-based forecasting of subsurface behavior to ensure storage integrity. For this work, we develop a deep learning–based reduced-order model (ROM) to quantify potential carbon dioxide (CO₂) and brine migration through geological faults. The ROM combines a Transformer model for binary classification and a Stacked Ensemble for regression, trained on a comprehensive dataset generated from 1400 physics-based reservoir simulations. Key geologic and operational parameters—including fault geometry, reservoir structure, and injection conditions—were systematically varied to capture a wide range of fluid migration scenarios. The ROM accurately predicts the onset of migration, cumulative migration volumes of both CO₂ and brine, and associated migration rates, as compared to an independent set of validation simulations, while significantly reducing computational cost compared to traditional simulation methods. Model performance was evaluated across diverse fault configurations, revealing that shallow reservoir geometry and fault angle are among the most influential factors governing migration behavior. Sensitivity analysis using SHapley Additive exPlanations (SHAP) provided interpretability, revealing distinct patterns in how geological and operational features drive transient versus cumulative migration outcomes. The ROM’s ability to rapidly simulate fault migration scenarios enables efficient sensitivity analyses, scenario evaluations, and decision support for site selection and monitoring design. This approach enhances the safety, scalability, and long-term operational performance of geologic carbon storage (GCS) systems by providing a robust, interpretable tool for predicting subsurface fluid migration and assessing fault-related migration potential.

42 ENGINEERING↗
DOE OSTI2026

A filter-dependent granular temperature model from large-scale CFD-DEM data

The computational study of strongly-coupled, gas–solid flows at scales relevant to most environmental and engineering applications requires the use of ‘coarse-grained’ methodologies such as the two-fluid model, particle-in-cell approach or the multiphase Reynolds Averaged Navier–Stokes equations. While these strategies enable computations at desirable length- and time-scales, they rely heavily on models to capture important flow physics that occur at scales smaller than the mesh. To date, the models that do exist are based on a limited set of flow conditions, such as very dilute particle phase. To this end, we leverage a large-scale repository of CFD-DEM data to develop filter-size dependent models for the mean variance in particle volume fraction, a quantity commonly used to assess the degree of clustering, and the granular temperature, a key quantity for accurately predicting gas–solid flows. In conclusion, because of its filter-size dependence, the granular temperature model can be directly translated to coarse-grained approaches and tied directly to grid size.

AMReX↗
DOE OSTI2026

Evaluating CO 2 mitigation strategies in SAF biorefineries: Techno-economic and life cycle analysis

The aviation sector requires scalable decarbonization strategies, and lignocellulosic sustainable aviation fuel (SAF) represents a promising pathway. This study comparatively evaluates the techno-economic analysis and life cycle assessment (LCA) of three CO 2 management strategies integrated within a U.S.-based gasification–Fischer–Tropsch SAF biorefinery: (i) catalytic hydrogenation of captured CO 2 to methanol, (ii) geological CO 2 sequestration, and (iii) mineralization to sodium bicarbonate (NaHCO 3 ). Techno-economic analysis indicates that methanol synthesis requires approximately 26% higher capital investment and 33% higher operating costs than mineralization. Although methanol co-production generates the highest gross revenue, NaHCO 3 production reduces the SAF minimum selling price by approximately 38% relative to both methanol synthesis and geological sequestration pathways, reflecting a more balanced cost allocation through mineral co-product valorization. Geological sequestration lowers operating costs by nearly 50% compared with methanol synthesis but remains highly dependent on carbon credit mechanisms. LCA reveals substantial divergence in climate performance. Relative to methanol synthesis, sequestration improves net greenhouse gas performance by approximately 163%, transitioning the system from net-positive to net-negative emissions. Mineralization further enhances carbon mitigation, achieving roughly 85% greater carbon reduction than sequestration and over sixfold improvement relative to methanol synthesis within the defined system boundary. Sensitivity analysis identified hydrogen price, co-product market value, and process emissions as dominant drivers. Under baseline assumptions, CO 2 mineralization is found to offer the most balanced pathway.

Carbon capture and storage↗
DOE OSTI2025

MagNetUS: a magnetized plasma research ecosystem

MagNetUS is a network of scientists and research groups that coordinates and advocates for fundamental magnetized plasma research in the USA. Its primary goal is to bring together a broad community of researchers and the experimental and numerical tools they use in order to facilitate the sharing of ideas, resources and common tasks. Discussed here are the motivation and goals for this network and details of its formation, history and structure. An overview of associated experimental facilities and numerical projects is provided, along with examples of scientific topics investigated therein. Finally, a vision for the future of the organization is given.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

The CHIMERAS project: design framework for the Collisionless HIgh-beta Magnetized Experiment Researching Astrophysical Systems

From the near-Earth solar wind to the intracluster medium of galaxy clusters, collisionless, high-beta, magnetized plasmas pervade our universe. Energy and momentum transport from large-scale fields and flows to small-scale motions of plasma particles is ubiquitous in these systems, but a full picture of the underlying physical mechanisms remains elusive. The transfer is often mediated by a turbulent cascade of Alfvénic fluctuations as well as a variety of kinetic instabilities; these processes tend to be multi-scale and/or multi-dimensional, which makes them difficult to study using spacecraft missions and numerical simulations alone. Meanwhile, existing laboratory devices struggle to produce the collisionless, high ion beta (β i ≳ 1), magnetized plasmas across the range of scales necessary to address these problems. As envisioned in recent community planning documents, it is therefore important to build a next generation laboratory facility to create a β i ≳ 1, collisionless, magnetized plasma in the laboratory for the first time. A working group has been formed and is actively defining the necessary technical requirements to move the facility towards a construction-ready state. Recent progress includes the development of target parameters and diagnostic requirements as well as the identification of a need for source-target device geometry. As the working group is already leading to new synergies across the community, we anticipate a broad community of users funded by a variety of federal agencies (including National Aeronautics and Space Administration, Department of Energy and National Science Foundation) to make copious use of the future facility.

astrophysical plasmas↗
DOE OSTI2025

A Novel Solid Form of Erlotinib: Synthesis by Heterogeneous Complexation and Characterization by NMR Crystallography

We describe the synthesis of a novel complex of the anticancer "active pharmaceutical ingredient erlotinib (ERL) via heterogeneous nucleation on polished zinc tiles. The resulting product, ERL 2 ·ZnCl 2 , is characterized by single-crystal X-ray diffraction, multinuclear solid-state NMR (ssNMR) spectroscopy, and density functional theory (DFT) calculations. Also characterized are the hydrochloride salt (ERL·HCl) and monohydrate free base (ERL·H 2 O) forms of erlotinib. 13 C ssNMR spectroscopy is useful for site-by-site assignment and rapid fingerprinting, while also providing preliminary structural interpretations, such as the number of molecules in the asymmetric unit. 35 Cl ssNMR can readily differentiate between the chloride ions in ERL·HCl and the covalently bonded chlorine in ERL 2 ·ZnCl 2 . 15 N ssNMR proves to be critical here because of the large isotropic chemical shift differences between ERL·H 2 O, ERL·HCl, and ERL 2 ·ZnCl 2 . The 15 N chemical shift tensors are linked directly to differences in structure and bonding with the aid of DFT calculations. Together, these results demonstrate the utility of multinuclear NMR crystallography for the characterization of solid forms of APIs, especially when other analytical techniques face significant challenges.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Effects of B 2 O 3 on the Growth, Structural, and Magneto-Optical Properties of Yttrium Iron Garnet Single-Crystal Fibers

This study explores the fabrication of yttrium iron garnet (YIG) single crystal fibers using the laser heated pedestal growth (LHPG) method with the experimental addition of B 2 O 3 . The incorporation of B 2 O 3 facilitates the fiber fabrication process by lowering the required growth temperatures and likely modifying melt viscosity behavior, consistent with the established fluxing behavior of B2O3 and the comparative viscosity trend observed in the TMA−VFT analysis, thereby improving process efficiency while maintaining fiber quality. Structural characterization using EBSD and SC-XRD reveals a transition from polycrystalline to single-crystal behavior, with improved alignment along the [111] direction without altering the garnet structure. Magnetic measurements show increases in saturation magnetization in B 2 O 3 -assisted fibers. Three-dimensional anisotropy energy modeling, based on EBSD-derived Euler angles, indicates that the enhanced crystallinity and orientation contribute to reorientation of MCA energy distribution due to improved crystallographic alignment. Faraday rotation measurements show that the B 2 O 3 -assisted sample exhibits a rotation angle closer to reported values for high-quality YIG, suggesting improved phase purity and crystallographic quality. These findings demonstrate that B 2 O 3 -assisted LHPG growth is a scalable and nontoxic approach to producing high-performance YIG fibers for integrated photonic and magnetic field sensing applications.

Crystal structure↗
DOE OSTI2025

Ultrafast Oxygen Conduction in Sillén Oxychlorides

Oxygen ion conductors are crucial for enhancing the efficiency of various clean energy technologies, including fuel cells, solid oxide air batteries, electrolyzers, membranes, sensors, and more. In this study, a structure-similarity analysis of ≈62k oxygen-containing compounds identified the MBi 2 O 4 X (M = rare-earth element, X = halogen element) family as promising candidates for fast oxygen transport. Among these, LaBi 2 O 4 Cl is found as an ultrafast oxygen conductor with an ultralow migration barrier of 0.1 eV based on ab initio studies. Its 2D layered structure, featuring a “triple fluorite” layer, supports diffusion of both oxygen vacancies and interstitials. In addition to vacancy diffusion with a 0.1 eV barrier, ab initio studies show interstitial diffusion exhibits a modest barrier of 0.6–0.8 eV. Frenkel pairs are found to be the dominant defects in intrinsic LaBi 2 O 4 Cl, facilitating significant vacancy-mediated oxygen diffusion at elevated temperatures. With 2.8% oxygen vacancies, LaBi 2 O 4 Cl is predicted to achieve a conductivity of 0.3 S/cm at 25 °C in a single crystal. Experimental synthesis and characterization of polycrystalline LaBi 2 O 4 Cl and Sr-doped LaBi 2 O 4 Cl revealed conductivity exceeding that of YSZ and LSGM below 400 °C, with lower activation energies, achieving a total conductivity of 0.1−0.2 mS/cm at 300 °C. Here, while these results confirm its potential of fast oxygen transport, we suggest further experimental optimization of LaBi 2 O 4 Cl, including aliovalent doping and microstructure refinement, could significantly enhance its performance, facilitating fast oxygen conduction approaching room temperature.

Defects↗
DOE OSTI2026

Consolidation and Permeability of the B1 and D1 Gas Hydrate Bearing Sands and Associated Seal Sediments of the Extended-Duration Gas Production Test Site on the Alaska North Slope

Gas hydrate, a solid combination of gas (mostly methane in nature) and water molecules stable at low temperatures and elevated pressures, occurs naturally in marine and permafrost-associated environments. Gas hydrate reservoirs, such as those in the Alaska North Slope, have been considered potential energy resources for gas production. To understand the petrophysical and geo-mechanical characteristics of the reservoir, core samples retrieved from the site of the JOGMEC-DOE-USGS collaborative gas hydrate R&D project have been analyzed in the laboratory for their hydraulic and mechanical properties. This paper focuses on both seal and reservoir samples associated with the B1 and D1 sands, which are evaluated for index properties (including porosity, grain size distribution, liquid and plastic limits, specific surface area, and specific gravity), consolidation, permeability, and water retention. Furthermore, the reservoir core samples were tested with pore-filling, laboratory-grown tetrahydrofuran hydrate, in order to assess reservoir behavior during gas production from hydrates. Under simulated in situ stress conditions, the seal and hydrate-free reservoir cores had a permeability anisotropy ratio of k h /k v = 3.0−5.0, and k h /k v = 2.4−3.0 for the reservoir tetrahydrofuran hydrate-bearing cores. The data suggest that depressurizing the reservoir to induce hydrate dissociation alters the reservoir effective permeability in three ways: permeabilities decrease due to porosity lost (e.g., the initial reservoir thickness can decrease by up to 5% upon 7 MPa depressurization), permeability increases due to the loss of solid hydrate in the pore space, and permeability anisotropy k h /k v decreases in response to the evolving pore-space geometry. We show that given the simulated in situ gas hydrate saturations (i.e., S h = 32% in core 7P-2E and S h = 21% in core 20P-4), gas production from the dissociation of tetrahydrofuran hydrate in the two tested cores results in a net increase in effective permeability and a decrease in k h /k v . This study highlights the importance of investigating seal and reservoir sediments and the impacts of depressurization on the porosity and permeability responses during production.

Geological materials↗
DOE OSTI2025

Analysis of Tar and Oil Derived from Pyrolysis and Copyrolysis of Waste Plastics and Biomass

Pyrolysis has been proposed as a potential technology for managing the growing volume of plastic waste generated worldwide. Co-pyrolysis of plastic waste with biomass is a promising technology for generating fuel and chemical products. However, this process generates tar as a waste product. The chemical properties of this tar have yet to be thoroughly analyzed. Further, this study presents the results of gas chromatography–mass spectrometry (GC–MS), Fourier-transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA) of oil and tar obtained from the pyrolysis of pure plastics including high-density polyethylene (HDPE), low-density polyethylene (LDPE), polyethylene (PE), polystyrene (PS), and plastic-biomass mixtures. GC–MS analysis revealed the presence of C 7 –C 37 carbon-containing hydrocarbons, which include alkanes and alkenes as the dominant products. FTIR data revealed the presence of various functional groups, including alcohols, aldehydes, ketones, and carboxylic acids, indicating the complexity of the pyrolysis and copyrolysis oil obtained from waste plastics and biomass. TGA data show that tar from all four plastics has a higher decomposition rate, suggesting the presence of heavier hydrocarbons compared with their corresponding oils. This research will be of interest to researchers looking to advance the study of plastic and biomass waste management.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Machine Learning-Accelerated First-Principles Molecular Dynamics Explains Anomalous Lattice Thermal Expansion in BaZr 0.78 Y 0.22 O 3-δ

Fuel cells are a vital clean energy technology that converts chemical energy directly into electricity with high efficiency, making them a cornerstone of a sustainable energy future. Herein we investigate the thermal and chemical lattice expansion behavior of hydrated BaZr 0.78 Y 0.22 O 3-δ using machine learning-accelerated ab initio molecular dynamics simulations. Here, our results reproduce the experimentally observed non-monotonic and anomalous temperature dependence of lattice expansion, which we attribute to the competing effects of thermal expansion and dehydration—two mechanisms that influence the lattice expansion in opposite directions. The importance of this work lies in its detailed demonstration of how advanced computational techniques can accurately capture complex environmental effects, providing a valuable framework for modeling similar phenomena in a variety of material systems and applications.

Proton conducting fuel cell↗
DOE OSTI2026

Higher Wood Density Lowers Feedstock Cost and Has Minimal Impact on Biomass Conversion to Biofuels

Poplar and other woody feedstocks have the potential to provide up to 200 million tons of biomass per year that can be converted to liquid fuels. Most forestry strategies that aim to increase biomass productivity per hectare rely on short rotation plantations of fast-growing varieties. The improvement of the wood density as a key trait itself has largely been overlooked. We evaluated natural variation in wood density across a population of genetically diverse Populus trichocarpa trees grown in a common garden. Wood density varies greatly within this population but is heritable; higher wood density was not systematically associated with reduced growth, challenging assumptions of a trade-off between wood density and biomass accumulation. Furthermore, denser wood led to significant improvements throughout the supply chain including lowering biomass production and transportation costs. Higher density did not correlate with changes in biomass composition. Density did not impact bioconversion in the two feedstock-to-fuel pipelines tested (pretreatment by ionic liquids and fermentation to bisabolene or soaking in aqueous ammonia and fermentation to ethanol) on a representative subset of poplars. These findings highlight wood density as a promising breeding target for accelerating the development of high-yielding, conversion-efficient bioenergy crops and as an avenue for increasing landuse efficiency and reducing biomass transportation cost.

09 BIOMASS FUELS↗
DOE OSTI2025

Dependence of ion-cyclotron range of frequencies instabilities on species mix and fast-ion distribution: II. Time evolution

Dedicated DIII-D experiments studied instabilities below the ion cyclotron frequency f ci and at cyclotron harmonics by injecting thirteen different neutral beam populations into plasmas with different thermal compositions of H and D at five different values of toroidal field. The resulting database of 2529 conditions is described in Part 1: Stability. This paper focuses on the temporal evolution. For some beam geometries, the ion cyclotron emission (ICE) is much stronger at the beginning of injection, suggesting the importance of ‘bump-on-tail’ energy drive. Sawtooth crashes cause the emission to cease for some beam types and emission bands, but the opposite effect occurs for others. When unstable, for virtually all conditions and frequency bands, the emission bursts in a cycle reminiscent of predator-prey oscillations. Evidence for nonlinear interaction between ICE harmonics is observed. Strongly unstable modes typically appear within 1 ms from the start of beam injection and often decay within 0.1 ms when the beam turns off, but both the initial rise and final decay of the mode power exhibit a wide variety of behavior.

electromagnetic ion cyclotron instabilities↗
DOE OSTI2026

Effect of controlled magnetic island bifurcation on electron diffusion

Magnetic islands strongly influence cross-field electron transport in magnetized plasmas. In particular, bifurcations of the island topology modify the number and location of O-points, X-points, and separatrix boundaries, thereby altering diffusion pathways. In recent DIII-D experiments, external magnetic perturbations were used to rotate and periodically bifurcate the island on the q = 2 surface, causing a switchback between a q = 2/1-dominated structure and a narrower q = 4/2-dominated structure. To investigate how this topological change affects electron transport, we employ the field line tracing code TRIP3D with an implemented collisional operator. Thermal, tracer electrons launched from O-points, X-points, and outside separatrix boundaries reveal distinct diffusion regimes, including classical, subdiffusive, and superdiffusive behavior, depending on both the dominant island mode and launch location. These results suggest that island bifurcation can alter electron diffusion across rational surfaces, with direct implications for particle confinement. While the present work emphasizes diffusion as a general framework, the findings provide insight into the conditions under which electron trapping into an island or stochastization of the island's separatrix can enable additional mechanisms, such as the generation of energetic electrons.

DIII-D↗