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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Cold Trap Replacement Project Report

This report documents the replacement of the Mechanisms Engineering Test Loop (METL) cold trap. The work involved preparation of the facility to replace the cold trap, removal of the existing welded cold trap from the sodium purification circuit, installation of a new replacement cold trap, completion of associated welds and examinations, restoration of instrumentation and heaters, and controlled return of the cold trap circuit to service. The replacement represented a significant maintenance evolution because the cold trap is an integral welded component of the sodium system. As a result, the work required coordinated control of sodium chemistry, deliberate formation of freeze plugs, inert gas management, precision cutting and welding, and a staged reheating and refill sequence. The activity was executed using procedural controls intended to protect personnel, preserve system cleanliness, and maintain the integrity of the sodium boundary throughout the work. This report provides a narrative summary of the milestone, including the purpose of the work, the pre-job system condition, the major field activities performed, observations made during execution, and the resulting post-work condition of the METL cold trap circuit.

42 ENGINEERING↗
DOE OSTI2026

Genesis Mission-Enabled Secure AI to Fortify Energy Process Safety (Genesis-SAFE)

Argonne National Laboratory is supporting the U.S. Department of Transportation’s (USDOT’s) Bureau of Transportation Statistics (BTS) with collaborative research on development and application of privacy preserving AI frameworks that leverage unmatched AI expertise and secure computing resources made available through the U.S. Genesis Mission1 . This research advances U.S. energy security goals by supporting a safe offshore energy industry with secure, domain-specific AI tools to analyze confidential industry datasets collected by BTS to rapidly improve identification of hazards, precursors, and systemic safety risks in high-risk operational environments. The staged, security-first approach begins with development and testing of Argonne’s Genesis Mission-enabled Secure AI to Fortify Energy Process Safety (Genesis-SAFE) framework within Argonne’s accredited secure computing enclave (ABLE) leveraging Argonne’s AI scientific assistant substrate (AISAC). Methods to build synthetic datasets were developed together with BTS for use in preparing synthetic datasets that can be used to validate data containment, governance, and security controls in the ABLE environment. Future research directions would focus on applying the Genesis-SAFE framework to CIPSEA-protected datasets entirely within ABLE to support confidentiality-preserving analysis of safety risks, trends, and contributing factors.

Kim, Hyekyung [Argonne National Laboratory (ANL), ↗
DOE OSTI2025

Direct reactions with the AT-TPC

Direct reactions are crucial tools for accessing properties of the atomic nucleus. Fundamental and exotic phenomena such as collective modes, pairing, weakbinding effects and evolution of single-particles energies can be investigated in peripheral collisions between a heavy nucleus and a light target. The necessity of using inverse kinematics to reveal how these structural properties change with isospin imbalance renders direct reactions a challenging technique when using the missing mass method. In this scenario, Active Target Time Projection Chambers (AT-TPC) have demonstrated an outstanding performance in enabling these types of reactions even under conditions of very low beam intensities. The AT-TPC of the Facility for Rare Isotope Beams (FRIB) is a next generation multipurpose Active Target. When operated inside a solenoidal magnet, direct reactions benefit from the measurement of the magnetic rigidity that enables particle identification and the determination of the excitation energy with high resolution without the need of auxiliary detectors. Additionally, the AT-TPC can be coupled to a magnetic spectrometer improving even further its spectroscopic investigation capability. In this contribution, we discuss inelastic scattering and transfer reaction data obtained via the AT-TPC and compare them to theory. In particular, we present the results for the 14 C(p,p′) and 12 Be (p,d) 11 Be reactions. For 14 C, we compare the experimental excitation energy of the first 1 – excited state with coupled-cluster calculationsbased on nuclear interactions from chiral effective field theory and with available shell-model predictions. For 12 Be, we determine the theoretical spectroscopic factors of the 12 Be (p,d) 11 Be transfer reaction in the shell modeland compare them to the experimental excitation spectrum from a qualitative standpoint.

active target↗
DOE OSTI2025

Tunable 3D Aerosol Jet Printing of Low‐Power Redox‐Gated Transistors with Multicomponent Inks

Printed hybrid electronics (PHE) offer a promising alternative for microelectronics fabrication, addressing some limitations of traditional subtractive manufacturing. Despite the versatility of PHE, particularly in the customization of printing inks, these devices have not yet matched the performance of silicon-based electronics due to challenges in gating mechanisms and operational stability. However, the potential of low-voltage redox-gating to achieve significant carrier modulations in correlated metal oxides remains unexplored in PHE. This study systematically investigates vanadium dioxide (VO 2 ) nanoparticles and redox inks, linking their organization in solution to their morphology, phase state, and properties in solid films and multilayered structures. Using an aerosol jet printer (AJP), a solid-state VO 2 transistor is fabricated, operating at just 0.4 V gating voltage. The printed VO 2 films demonstrate redox-modulated conductivity and consistent transistor behavior. The solid-state redox gating materials also provide long-term stability, with the device maintaining performance over 6000 cycles without degradation. These results highlight the potential of redox gating to enhance the application of functional nanoparticles in printed hybrid microelectronics, especially for flexible, low-voltage, and energy-efficient devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Recent Progress in Solid‐State Lithium Batteries through Cathode Microstructure Engineering

A high‐performance cathode is necessary to realize the great potentials of solid‐state batteries such as high energy density and long cycle life. It is also needed to validate electrolyte performance, which is lacking. Currently, cathodes for solid‐state batteries are thinner and have lower cathode active material content than their lithium‐ion battery counterpart, resulting from insufficient conductivity and limiting the battery energy density. This review article provides an overview of recent development in cathode microstructures and their impact on battery properties, including compatibility between cathode and electrolyte, cathode architecture design, interface engineering, correlation between material properties, cathode processing approaches, and performance, as well as the advanced characterization methods used to understand the above correlations . Some perspectives on future development are shared including utilizing in situ and operando characterization tools to better understand dynamic evolution of the cathode/electrolyte interface, adapting artificial intelligence and machine learning to design and optimize cathode structures. The article is aimed to promote research interest on cathode development and advance solid‐state battery technologies.

cathode engineering↗
DOE OSTI2026

Particle‐Size‐Dependent Lithium‐Ion Transport in PEO/LLZO Composite Electrolytes

Lithium-metal batteries with solid electrolytes can deliver higher energy density and improved safety than conventional Li-ion batteries. Among solid electrolyte candidates, polymer/ceramic composite electrolytes are attractive because they combine polymer flexibility with the high ionic conductivity of ceramics. However, whether ceramic fillers synergistically reduce polarization losses in the polymer matrix remains unclear. A central unknown is the critical polymer/ceramic interfacial resistance (Rint,crit), below which adding ceramics lowers electrolyte overpotential. Here, we present the first macroscale model framework to quantify R int,crit for composite electrolytes based on polyethylene oxide (PEO) and Ta-doped Li 7 La 3 Zr 2 O 12 (LLZO). A 1D model for DC-polarization of tri-layer cells (PEO-LiTFSI/LLZO/PEO-LiTFSI) shows that LLZO surface functionalization reduces the PEO/LLZO interfacial resistance, consistent with electrochemical impedance measurements. Extending to a 2D composite model, we show notably that Rint,crit scales linearly with LLZO particle diameter and shifts toward experimentally accessible values (e.g., 28.8 Ωcm 2 ) as particle size increases. At fixed ceramic volume fraction, larger LLZO particles reduce the number of interfacial crossings, driving more current through the ceramic phase and lowering concentration polarization. In contrast, R int,crit is largely independent of ceramic volume fraction. These results demonstrate that ceramic filler-size engineering can enable synergistic, energy-efficient transport in polymer/ceramic composite electrolytes.

25 ENERGY STORAGE↗
DOE OSTI2025

Long-term thermal aging behavior and strength reduction in a laser powder bed fusion 316H stainless steel

The long-term thermal stability of structural alloys is essential for ensuring the safe and reliable operation of nuclear reactors and other power plants. While extensive research has explored the effects of thermal aging on conventional stainless steels, the behavior of additively manufactured (AM) alloys remains less understood. This study examines the thermal aging response of laser powder bed fusion (LPBF) 316H stainless steel (SS) at temperatures ranging from 550 °C to 750 °C over durations of up to 10,000 h (approximately 1.14 years). Advanced characterization techniques, including electron microscopy and synchrotron X-ray diffraction, were used to investigate dislocation recovery and phase evolution. Based on these findings, a time-temperature-precipitation (TTP) diagram was developed for LPBF 316H SS, revealing a 10- to100-fold acceleration in precipitation kinetics compared to wrought 316H SS. A physics-informed model was calibrated using the short-term experimental data, enabling predictions of average precipitate sizes, volume fractions of M 23 C 6 and Laves phases, and changes in molybdenum solute concentration for aging up to 1 × 10⁶ h (114 years). These microstructural insights were further utilized to estimate yield strength and extrapolate strength reduction factors over the extended aging period. Despite the accelerated aging kinetics, LPBF 316H SS demonstrated superior yield strength retention compared to its wrought counterpart. In conclusion, this study establishes a framework for evaluating long-term performance using short-term experimental data and supports the accelerated qualification of AM materials for high-temperature structural applications.

Laser powder bed fusion↗
DOE OSTI2025

MURR LEU structural and thermal hydraulics analyses: Part I – Preliminary irradiation thermo-mechanical behavior

The University of Missouri Research Reactor (MURR) is expected to be converted from highly enriched uranium (HEU, ≥ 20 wt% U-235) U-Al x dispersion fuel to low-enriched uranium (LEU, < 20 wt% U-235) with U-10Mo monolithic fuel. This work introduces high-fidelity irradiation thermo–mechanical (T-M) analysis of the MURR LEU focusing on changes in coolant channel gap thickness. Three-dimensional (3D) finite element (FE) models were developed to simulate the irradiation T-M behavior of the MURR LEU element with all 23 curved fuel plates, the two side plates, and the combs. It was shown that channel gap thickness changes were influenced not only by plate thickness variations due to fuel swelling and creep but also by the radial displacement of consecutive MURR LEU plates. Modeling the fuel element assembly captured side plate displacements, which were shown to reduce radial fuel plate displacements towards the convex side. The maximum local radial displacement in the element was predicted at the end of life (EOL) as 23.7 mil (602.0 µm) on the lateral centerline of plate 23 towards the convex side. The maximum stripe-averaged reduction in channel gap thickness, particularly relevant for thermal hydraulics (TH) safety analysis, was calculated as 15.9 mil (403.9 µm) in single-side heated channel 24 (the outermost channel). These results account for the thermal resistance from the oxide build-up on cladding surfaces which was shown to be up to 0.82 mil (20.8 µm) thick. It was demonstrated that accounting for oxide layer thermal resistance led to a 10 °C higher peak fuel temperature and a 4.4 mil (111.8 µm) greater maximum local radial displacement. The impact of the calculated channel gap thickness changes on the MURR LEU TH safety analysis is evaluated in Part II.

Irradiation thermo-mechanical analysis↗
DOE OSTI2025

Site-specific surface reactivity on SnO 2 : Evaluating selective atomic layer deposition processes

Area selective atomic layer deposition (AS-ALD) is a bottom-up synthesis approach with potential for deposition with molecular level precision. Here, the site-specific hydration of metal oxide substrates, combined with surface H 2 O-selective ALD processes, provides a potentially powerful path to targeted synthesis. Density functional theory (DFT) calculations are used to predict the thermodynamics of ALD precursor reactivity and hydration for (001), (101), (110), and (100) rutile SnO 2 facets as a function of temperature. Trimethylaluminum (TMA) and dimethyl aluminum isopropoxide (DMAI) dimers are predicted to react with both dehydrated and hydrated SnO 2 (001), (101), and (110) facets at ALD-relevant temperatures, while the SnO 2 (100) facet is predicted to be uniquely unreactive with TMA and DMAI monomers as well as dehydrate near 177 °C making this facet more amenable to targeted ALD. In situ ellipsometric studies of Al 2 O 3 ALD on polycrystalline SnO 2 at 150 °C are consistent with the computational predictions of rapid and unselective nucleation, in stark contrast to inhibited and selective ALD on isostructural rutile TiO 2 .

Atomic Layer Deposition↗
DOE OSTI2025

Machine learning enabled discovery of superhard and ultrahard carbon polymorphs

The demand for multifunctional materials has motivated the move from near-equilibrium materials to metastable i.e. out-of-equilibrium phases that can meet several desired target properties. The search for such metastable phases with exotic properties is non-trivial and often serendipitous. Inverse design approaches based on evolutionary search have been powerful tools, but such traditional searches have focused on identifying primarily stable and metastable materials with the lowest enthalpy. The inverse design of materials, with a focus on a desired property such as, for example, hardness is a challenging task because of the expensive computational cost involved in sampling multiple structures. The recent advances in machine learning have brought new powerful AI techniques to the forefront which can potentially revolutionize the inverse design and discovery of materials, especially metastable phases capable of meeting multifunctionality. Here, in this work, we develop and apply an automated reinforcement learning workflow for inverse design that integrates first principles physics and atomistic simulations with machine learning (ML), and high-performance computing to allow rapid exploration of the superhard and ultrahard metastable phases of Carbon. We demonstrate an automatic machine learning based inverse design workflow to map new undiscovered metastable states ranging from near equilibrium to those far-from-equilibrium that satisfy multiple property objectives, specifically bulk moduli, shear moduli and hardness. We create a comprehensive library of carbon stable and metastable phases with varying hardness and subsequently shortlist 10 top performing candidate carbon structures, including two newly reported phases, based on their hardness and characterize their temperature dependent mechanical properties. A neural network model is built using featurization of allotropes of carbon to predict the quasi-harmonic Gibbs free energies. The Gibbs free energies of the top performing phases are analyzed to get an estimate of the experimental synthesizability of these superhard and ultrahard carbon phases. In general, we show using machine learning based inverse design approaches how hitherto inaccessible metastable states can be identified and potentially synthesized to meet the demand for multifunctional materials.

Balasubramanian, Karthik [Univ. of Illinois, Chica↗
DOE OSTI2025

Total cost of ownership of vehicle electrification and fuel switching options for light-duty and heavy-duty vehicles

Projecting the transition from combustion engines to battery-based powertrains is complex becuase it involves numerous interdependent decisions. This study estimates total cost of ownership (TCO) to assess the economic viability of powertrain electrification, focusing exclusively on advances in vehicle and fuel technologies. Under two bounding technology-progress scenarios, we develop vehicle designs and fuel cost trajectories, which serve as inputs to TCO projections for selected classes from 2021 to 2050. We analyzed a small sport utility vehicle (SUV) to represent the light-duty vehicle (LDV) sector, and four medium- and heavy-duty vehicle (MHDV) classes: Class 6 box delivery, Class 8 drayage, Class 8 long-haul, and Class 8 transit bus. For each class, we compared the TCO of battery electric vehicles (BEVs) and fuel cell hybrid electric vehicles (FCHEVs) against conventional internal combustion engine vehicles (ICEVs). The results show that modern ICEVs generally have lower TCO; however, BEVs and FCHEVs could match or have lower TCOs than ICEVs over time, depending on technological progress. In LDVs, BEV300 is projected to deliver the lowest TCO by 2050, particularly under the high-progress scenario. In MHDVs, both BEVs and FCHEVs could become more cost-competitive than ICEVs by 2050 in the high-progress case. Beyond these results, the findings suggest further investigation is warranted for BEV charging infrastructure, FCHEV hydrogen refueling infrastructure, and MHDV charging strategies. In conclusion, these factors could reduce the fuel-cost share of TCO and enhance the competitiveness of BEVs and FCHEVs relative to ICEVs.

Battery electric vehicle↗
DOE OSTI2026

Extraction of lithium from battery recycling wastewater using synergistic D2EHPA and TBP

The recycling of spent lithium-ion batteries (LIBs) poses significant challenges, including the generation of large volumes of chemically complex wastewater. The composition of this wastewater is influenced by both the intrinsic chemistry of the batteries and the specific recycling processes employed. Notably, this wastewater contains economically valuable components, such as lithium, which can be recovered. Here, in this study, a solvent extraction (SX) process was investigated as a method to recover lithium from battery recycling wastewater, especially from anode-washing stage. Initially, various commercial extractants were evaluated, including di(2-ethylhexyl)phosphoric acid (D2EHPA), mono-2-ethylhexyl (2-ethylhexyl)phosphonate (PC88A), bis(2,4,4-trimethylpentyl)phosphinic acid (Cyanex 272), 2-hydroxy-5-nonylacetophenone oxime (LIX 84-I), tri-butyl phosphate (TBP), and their combinations. Among these, D2EHPA + TBP demonstrated a synergism to advance and maximize the lithium extraction. Subsequently, the effects of key parameters, including D2EHPA concentration, TBP concentration, contact time, initial pH, and aqueous-to-organic (A/O) phase ratio, were systematically investigated and optimized. A two-stage SX approach was employed to enhance lithium recovery. Under the optimized conditions of 30.0 vol% D2EHPA, 10.0 vol% TBP, 10 min of contact time, and a 1:1 A/O phase ratio, a lithium extraction efficiency of more than 88% in a two-stage solvent extraction was achieved. Lithium was subsequently stripped from the loaded organic solution using sulfuric acid (H 2 SO 4 ). Using 2.0 M H 2 SO 4 , lithium stripping was achieved after two counter-current stripping stages at an organic-to-aqueous (O/A) phase ratio of 6:1. This stripping process enriched the lithium concentration by a factor of four compared to the original lithium concentration in the anode-washing wastewater. The recyclability of the synergistic D2EHPA + TBP system was also evaluated over four extraction-stripping cycles. The results demonstrated that the system maintained high extraction and stripping efficiencies.

D2EHPA↗
DOE OSTI2024

A robust spectral element implementation of the $k - τ$ RANS model in Nek5000/NekRS

The $k - ω$ Reynolds Averaged Navier Stokes (RANS) model is one of the industry standard approaches for modeling of turbulent flows. It performs better than the $k - ϵ$ model for low Reynolds number flows and is also more suitable for boundary layers with adverse pressure gradients. Major drawback of the model, however, is that the asymptotic value of $ω$ at the walls is singular, necessitating the use of a contrived “sufficiently” large value for $ω$ as the boundary condition for its transport equation. Here, this invariably leads to the solution being sensitive to near wall grid spacing. While an acceptable solution for low order (finite volume) methods, the excessive near wall gradients lead to persistent numerical stability issues in high order codes. To alleviate the problem, specifically in the context of the high order spectral element code Nek5000, a regularized $k - ω$ approach was formulated in our prior work (Tomboulides et al., 2018). The formulation, however, relies on the use of wall distance and its gradients for modeling the closure terms and can pose problems for simulations in complex geometries. This work presents a novel implementation of the $k - τ$ RANS model in Nek5000, where $τ = 1/ω$, eliminating the need for regularization, owing to the asymptotically bounded behavior of the source terms in the $τ$ transport equation, and also eliminating dependence on wall distance. Robustness and stability of the $k - τ$ model is ensured through implicit treatment of the source terms and their careful numerical implementation and demonstrated through several cases aimed at verification and validation. Studies include both canonical and engineering relevant problems, viz., turbulent channel flow, pipe flow, backward facing step, flow over NACA 0012 airfoil and flow in a T-junction. Results from the $k - τ$ model are shown to be consistent with regularized $k - ω$ model and also with the $k - ω$ SST model in OpenFOAM (for select studies). Comparison with experimental data is also shown, where available, to bolster validation efforts for the $k - τ$ model implementation through prediction of key turbulent quantities of interest.

Nek5000↗
DOE OSTI2026

Life cycle analysis of hydrogen production via methane pyrolysis using plasma arc

Steam methane reforming of natural gas is the primary method of producing hydrogen in the United States, accounting for 95% of all hydrogen produced there. Methane pyrolysis, an alternative production pathway that decomposes natural gas into solid carbon and hydrogen, both eliminates CO 2 emissions associated with methane reforming and allows for additional income from carbon black. A life-cycle inventory of this process has been developed using ASPEN Plus to model the methane pyrolysis (plasma arc) process. From well to gate, hydrogen production via methane pyrolysis produces 2.78 kg CO 2 e/kg H 2 of greenhouse gas emissions using mass allocation of emissions between hydrogen and carbon black coproducts. The well-to-gate emissions are mainly driven by electricity consumption (∼38 kW h/kg H 2 ), which accounts for 81% of the emissions; if renewable electricity is used, well-to-gate emissions can be reduced to −0.448 kg CO 2 e/kg H 2 .

08 HYDROGEN↗
DOE OSTI2025

Metallic fuel transient fuel-cladding interface liquefaction model assessment platform enabled by integrating BISON with databases

A novel platform has been developed within the BISON fuel performance code to assess models of fuel-cladding interface liquefaction for sodium-cooled fast reactor (SFR) metallic fuels. Here, this platform is crucial because liquefaction at the fuel-cladding interface significantly impacts fuel performance and may compromise fuel pin integrity during transient events. To ensure accurate predictions, the platform integrates data collected during the Integral Fast Reactor (IFR) program, now archived in metallic fuel databases. This integration supports verification and validation (V&V) of the models in BISON. Leveraging the extensive US experience with metallic fuel liquefaction and the collections of preserved legacy data, the platform serves as a powerful tool for evaluating existing models and advancing the development of new ones.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

A dynamically bare metal interface enables reversible magnesium electrodeposition at 50 mAh cm −2

Understanding and facilitating pure magnesium nucleation/growth electrodeposition behavior with ultrahigh Coulombic efficiency is complicated by the phenomenon of solid electrolyte interphase (SEI) formation in state-of-the-art, halogen-free magnesium electrolytes. Defining the electrolyte properties necessary to achieve ideal electrodeposition/stripping (E/S) thus remains elusive. Here, in this work, we reveal for the first time, rapid magnesium electrodeposition behavior that forms densely aligned, micron-sized thin platelets by establishing a dynamic bare magnesium/electrolyte interface during high-rate net plating. This effectively “SEI-free” interface allows facile magnesium diffusion and migration in stripping with near-unity E/S efficiency under demanding conditions over long-term cycling. The intrinsic electrolyte stability of the salt/solvent at the molecular level is the key to forming such an interface. The efficacy of the dynamic bare interface and an electrodeposited, free-standing magnesium anode is demonstrated in a high-areal-capacity full cell. These findings provide new design principles and fundamental understanding of interfacial chemistry in multivalent metal batteries.

Mg full cell↗
DOE OSTI2024

Understanding ion-selective Li/Na metal plating behavior in hybrid Li-Na battery

This study investigates ion-selective Li/Na metal plating behavior in hybrid Li-Na battery systems, revealing the critical role of electrolyte solvents in these processes. Using a hybrid battery design with a LiFePO 4 cathode, Na metal anode, and NaPF 6 -based electrolytes, we observed contrasting effects of carbonate- and ether-based electrolyte solvents. While ether-based electrolytes showed expected Na plating/stripping, carbonate-based electrolytes surprisingly favored a Li-dominant plating/stripping reaction despite the Na-rich environment. X-ray photoelectron spectroscopy revealed that this selectivity is linked to the composition of the solid electrolyte interphase (SEI) layer, with carbonate electrolytes forming Li-based inorganic-rich SEI layers that facilitate Li-ion diffusion while screening Na ions. In conclusion, these findings challenge the conventional understanding of metal plating in multi-ion environments and offer insights for designing future hybrid battery systems.

25 ENERGY STORAGE↗