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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Impacts of Lanthanum Impurities on Nickel-Rich Cathode Materials

The widespread use of lithium-ion batteries (LIBs) has led to environmental concerns and exacerbated the scarcity of essential minerals, underscoring the urgent need for effective recycling strategies. Among various recycling methods, the hydrometallurgical process is distinguished by its energy efficiency and minimal environmental impact. Nickel-metal hydride (Ni-MH) batteries are a significant source of nickel sulfate (NiSO 4 ) for hydrometallurgical recycling due to their substantial nickel content. A significant challenge arises from the effective separation of lanthanum (La), which results in at least 20 ppm of La being present in the recycled NiSO 4 . This study explores a critical aspect of the recycling process: the impact of La 3+ impurities, introduced through recycled NiSO 4 , on the performance of the synthesized nickel-rich cathode materials. We conducted a thorough investigation into how La 3+ influences morphology and structural integrity during both the synthesis of precursors and the production of cathode materials. Our findings indicate that La 3+ impurities do not adversely affect the morphology or structural integrity of the cathode precursors relative to virgin materials. However, higher concentrations of La 3+ reduce the discharge capacity with enhanced cycle stability by minimizing cation mixing between lithium (Li + ) and nickel (Ni 2+ ) ions within the cathode. Furthermore, this stability is crucial for extending battery life. Therefore, controlling the concentration of La 3+ impurities is essential for optimizing the electrochemical performance of recycled cathode materials.

Corrosion↗
DOE OSTI2024

Nanotwinned alloys under high pressure

Nanotwinned alloys are of interest due to their high strength and ductility, but twin boundaries may not be stable under shear. Computational studies indicate that high hydrostatic pressure may suppress detwinning mechanisms. Here, in this study, we investigate the microstructural changes of nanotwinned-nanocrystalline copper-nickel and Inconel 725 alloys under quasi-hydrostatic pressures up to 50 gigapascals (GPa). The alloys are compressed in a diamond anvil cell. In-situ x-ray diffraction (XRD) and ex-situ transmission electron microscopy (TEM) were employed to monitor microstructural changes. Twin boundary deformation and grain growth occur at 11.4 GPa quasi-hydrostatic pressure in the copper-nickel alloy. Molecular dynamics (MD) simulations reveal that hydrostatic pressure causes elevated local shear stress at grain boundaries, which leads to atomic rearrangements. A superposition of hydrostatic and deviatoric pressures lead to partial dislocation mediated twin boundary migration. In contrast, the Inconel 725 alloy showed stable twin and grain boundaries up to a quasi-hydrostatic pressure of 12.7 GPa. Texture, high solid solution strengthening, and low stacking fault energy are hypothesized to the enhanced microstructural stability in Inconel 725.

36 MATERIALS SCIENCE↗
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 OSTI2023

Enhanced flexibility and thermal conductivity of HfC decorated carbon nanofiber mats

Future-generation spacecraft components allude discovery of novel materials that can withstand extreme environments (>2000 °C). The combined effect of ultra-high temperature ceramics (UHTCs) and carbon fibers (C f ) can satisfy the demanding requirements of aerospace applications. A novel, hybrid, and flexible hafnium carbide (HfC)-decorated carbon nanofiber (C nf ) mat was fabricated via electrospinning. Enhanced thermal stability of the flexible HfC decorated C nf over C nf can be elucidated from the 20-fold increment in thermal conductivity and the onset of degradation at higher temperatures (840 °C). Successful integration of multi-layered sandwich lattice using in-housed fabricated HfC decorated C nf showed retention of the fibrous structure even after extreme spark plasma sintering (SPS) process at 1850 °C. Fabricating a similar multi-layered structure using procured C f was unsuccessful due to bundled agglomeration and micron-sized fibers. High-load indentation suggests that HfC decorated C nf interlayer is stronger (~2.3 times) than the parent UHTC with no cracking at the interface. Compared with the HfC matrix, the indentation-damaged area at the interface reduced up to ~56% due to toughening mechanisms such as C nf , fiber pull-out and bridging. The synthesized HfC decorated Cnf mat is proposed as an ultra-thin filler material for joining similar or dissimilar UHTCs while maintaining similar chemistry and better mechanical integrity at the interface. Furthermore, the findings insinuate a new paradigm in designing hybrid and flexible ceramic-containing materials for thermal protection systems (TPS) of future-generation spacecraft components that can mitigate failure in extreme environments (>2000 °C).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Dual aggregation steering in bulk-heterojunction via solvent engineering toward efficient and stable binary organic solar cells

In high-performance organic solar cells (OSCs), efficient charge transport hinges on a well-optimized morphology of the photoactive layer, which depends critically on controlled aggregation and favorable interactions between donor and acceptor materials. In this work, we introduce a cascade solvent system comprising high-boiling-point ethylbenzene (EB) and low-boiling-point chloroform (CF) to finely tune the aggregation behavior of the D18 donor and L8-BO acceptor. The incorporation of EB not only promotes the H-aggregation of D18 and the J-aggregation of L8-BO but also facilitates the formation of ideal nanoscale phase separation, thereby suppressing bimolecular recombination. As a result, devices processed with the EB/CF solvent blend achieve a best power conversion efficiency (PCE) of 19.6 % and enhanced operational stability, outperforming those fabricated with pure CF (17.1 %). In conclusion, this study offers a reliable and effective strategy for optimizing donor and acceptor aggregation, providing a viable pathway toward higher-performance OSCs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A multifidelity deep operator network approach to closure for multiscale systems

Projection-based reduced order models (PROMs) have shown promise in representing the behavior of multiscale systems using a small set of generalized (or latent) variables. Despite their success, PROMs can be susceptible to inaccuracies, even instabilities, due to the improper accounting of the interaction between the resolved and unresolved scales of the multiscale system (known as the closure problem). In the current work, we interpret closure as a multifidelity problem and use a multifidelity deep operator network (DeepONet) framework to address it. In addition, to enhance the stability and/or accuracy of the multifidelity-based closure, we employ the recently developed ``in-the-loop" training approach from the literature on coupling physics and machine learning models. The resulting approach is tested on shock advection for the one-dimensional viscous Burgers equation and vortex merging for the two-dimensional Navier-Stokes equations. Furthermore, the numerical experiments show significant improvement of the predictive ability of the closure-corrected PROM over the un-corrected one both in the interpolative and the extrapolative regimes.

42 ENGINEERING↗
DOE OSTI2025

A Demand Bidding Model for Multi-Product Industrial Plants

The growing contribution of renewable energy sources has increased volatility and uncertainty in electricity markets, challenging traditional grid operation paradigms. Demand bidding (DB), a market participation model where (large) electricity users communicate their willingness to pay for electricity to the grid operator, was shown in previous work to enhance grid stability and lower generation cost. We present a DB model for multi-product industrial plants, based on an extended optimal power flow problem where the plant dynamics are represented using autoregressive with extra inputs (ARX) models. We compare DB to price-based demand-side management, showing that, under certain assumptions, the two approaches are equivalent, while DB provides more transparency and predictability to the grid operator. A case study based on an industrial air separation unit is discussed.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Single Stage PLL-less Decoupled Active and Reactive Power Control for Weak Grid Interactive Inverters

This paper presents a single stage phase locked loop-less (PLL-less) active and reactive power (PQ) control for single-phase weak grid interactive inverters. The absence of the PLL requirement in the proposed PQ control enhances the stability margin comparing to conventional current control approaches in both the stationary or the synchronous reference frame. Additionally, the proposed control scheme enables direct PQ control with a single loop control structure. This paper demonstrates that the proposed PLL-less PQ control scheme is asymptotically stable if the controller gains are positive. The necessary conditions for supplying the rated active power into the weak grid are derived. The provided analysis shows that certain amount of reactive power injection is necessary to avoid point of common coupling (PCC) voltage collapse when the rated active power is injected into the weak grid. Several case studies are provided to demonstrate the performance of the proposed PLL-less PQ control scheme under weak grid condition.

Khan, Ahmad↗
DOE OSTI2021

Time-frequency based cyber security defense of wide-area control system for fast frequency reserve

Global power systems are transiting from conventional fossil fuel energy to renewable energies due to their environmental benefits. The increasing penetration of renewable energies presents challenges for power system operation. The efficiency and sufficiency of responsive reserves have become increasingly important for power systems with a high proportion of renewable energies. The Fast Frequency Reserve (FFR), especially the Wide-area Monitoring System (WAMS)-based FFR, is a promising and effective solution to secure and enhance the stability of power systems. However, cyber security has become a new challenge for the WAMS-based FFR system. Cyber attacks on the FFR control system may threaten the safety of power system operation due to the rapid power controllability requirement of FFR. Therefore, to address this problem, a time-frequency based cyber security defense framework is proposed to detect the cyber spoofing of synchrophasor data in WAMS-based FFR control systems. This paper first introduces the Continuous Wavelet Transforms (CWTs) to decompose spoofing signals. Then, the Dual-frequency Scale Convolutional Neural Networks (DSCNN) is proposed to identify the time-frequency domains matrix from two frequency scales. Integrating CWTs and DSCNN, an identification framework called CWTs-DSCNN is further proposed to detect the spoofing attacks in the WAMS-based FFR system. Multiple experiments using the actual data from FNET/GridEye are performed to verify the effectiveness of the framework in securing WAMS-based FFR systems.

25 ENERGY STORAGE↗
DOE OSTI2025

In situ high-temperature Raman spectroscopy for online EAF slag analysis

Real-time monitoring of slag chemistry is critical for optimizing Electric Arc Furnace (EAF) steelmaking operations, where dynamic variations in slag composition directly influence slag foaming, refractory degradation, and thermal efficiency. Conventional techniques such as X-ray fluorescence (XRF), Fourier-transform infrared (FTIR), and scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM-EDS) are commonly used to analyze slag composition, but their offline nature and equipment constraints limit their applicability for online monitoring in harsh industrial environments. To address this challenge, we present an in situ, high-temperature analytical approach that integrates Raman spectroscopy with a custom designed fiber-optic probe for real-time slag characterization at 1550 °C. The system enables non destructive spectral acquisition from molten slags, providing molecular-level insights into silicate polymerization and iron oxidation states. Eight synthetic slag samples were evaluated, and key Raman features—such as Q n silicate units and FeO₄/FeO₆ coordination environments—were identified and quantitatively correlated with slag basicity and Fe₂O₃ content. The results demonstrate agreement between Raman spectral ratios and bulk slag chemistry, validating the method’s capability to track compositional and structural changes under molten temperature. This work establishes the feasibility of deploying fiber-optic Raman probe for online EAF slag monitoring and highlights their potential to support closed-loop control strategies, thereby enhancing process stability, refractory protection, and steel quality in industrial steelmaking applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Determining the effects of U/Pu ratio on subsolidus phase transitions in U-Pu-Zr metallic fuel alloys

Here, ternary alloys consisting primarily of uranium, plutonium, and zirconium (U-Pu-Zr) are among the leading candidate fuel systems considered for fast spectrum nuclear reactors. Despite historical operation data from the testing of U-Pu-Zr rods in the Experimental Breeder Reactor-II, considerable uncertainty about the evolution of phases and microstructure across the ternary composition space exists. Due to sluggish kinetics and other difficulties in handling metal actinide specimens, quantitative measurements of phase-transitions in U-Pu-Zr alloys remain sparse in scientific literature, with most investigators reporting either phase-transition temperatures or phase identification data, but not both from the same specimens. The purpose of this paper is to critically compare experimental and calculated phase transition data and correlate with the microstructure and phase characterization data of as-cast and annealed U-Pu-Zr alloys. Phase transition peaks were measured using differential scanning calorimetry in the subsolidus regions (723-948 K) of three ternary U-Pu-Zr alloys with the same zirconium concentration but various U/Pu ratios. Overlapping peaks were deconvoluted using a Frazier-Suzuki peak fitting algorithm, and the critical peak temperatures and enthalpies were calculated. In general, increasing concentrations of Pu were associated with enhanced thermal stability of the body-centered cubic γ phase upon both heating and cooling. Experimental phase transition temperatures in this study tended to agree well with the predictions of the established ternary phase diagrams and other reported phase transition temperatures in literature. Additionally, the TAF-ID thermodynamic database was used to calculate a U-Pu-40 at.% Zr pseudobinary diagram as well as ternary diagrams from 773 to 973 K. The equilibrium phase transition temperatures tended to be considerably lower than measured peak temperatures upon both heating and cooling. Recommendations for improving the quality of data in future U-Pu-Zr characterization studies are also discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Work Function Tuning of a Weak Adhesion Homojunction for Stable Perovskite Solar Cells

Perovskite solar cells (PSCs) have demonstrated a comparable efficiency to Si-based cells. However, the buried interface with weak adhesion remains a critical issue since the ion migration enhanced by the built-in electric field at this interface might lead to instability. We report here that adjusting the energy-level alignment at the weak adhesion homojunction interface can mitigate ion migration and thereby enhance the stability and photovoltaic performance of PSCs. Functional molecules with self-assembled monolayer characteristics were introduced to the surface of the SnO2 layer using silane derivatives, which tuned the work function of the homojunction depending on the functional groups in the molecules and thereby significantly reduced the built-in electric field. The PSC exhibited a power conversion efficiency (PCE) of 25.3%. The maximum power point (MPP) tracking under continuous illumination confirmed that the device retained more than 97% of its initial PCE, even after 1,000 h.

homojunction↗
DOE OSTI2024

Single-source pulsed laser-deposited perovskite solar cells with enhanced performance via bulk and 2D passivation

Single-source vapor deposition of halide perovskites has, to date, remained challenging due to the dissimilar volatilities of the precursors, limiting the controlled transfer of multiple elements at once. Here, we demonstrate that pulsed laser deposition (PLD) addresses the rate-control challenges of single-source evaporation, enabling perovskite solar cells with power conversion efficiencies above 19% after passivation. Combining dry mechanochemical synthesis and PLD, we fabricated (Cl-passivated) MA1−xFAxPbI3 films from a single-source target. These films grow on hole-selective self-assembled monolayers, initially forming a thin PbI2-rich layer, which fully converts to perovskite. An oleylammonium iodide (OAmI) post-treatment is then applied to passivate the perovskite’s top surface by forming a 2D perovskite film. Incorporating PbCl2 in the target and applying OAmI-based 2D passivation results in a remarkable 19.7% efficiency for p-i-n perovskite solar cells with enhanced device stability. This highlights the appeal of PLD to fully unlock the potential of single-source vapor-deposited perovskites.

Soto-Montero, Tatiana↗
DOE OSTI2025

Conformal high-entropy oxide coatings enable fast and durable surface oxygen reactions

Developing active and durable air electrodes for efficient oxygen reactions is challenging for protonic ceramic cells (PCCs), especially at temperatures below 550°C. Here, in this study, we report a rationally designed conformal coating with a high-entropy PrNi 0.2 Mn 0.2 Co 0.2 Fe 0.2 Cu 0.2 O 3−δ (PNMCFC) perovskite structure on the surface of a state-of-the-art PrBaCo 2 O 5+δ (PBC) air electrode. The formed hybrid air electrode (PNMCFC-PBC) shows faster surface oxygen kinetics and a more stable phase structure in high-humidity air than the bare PBC electrode. Further density functional theory calculations suggest that the conformal coating mitigates Ba segregation at the interface and improves oxygen-related reactions, enhancing overall stability and electrocatalytic performance. The cells with the developed hybrid electrodes show encouraging electrochemical performance at 550°C: a polarization resistance of 0.72 Ω cm 2 , a peak power density of 1.30 W cm −2 , an electrolysis current density of −1.36 A cm −2 at 1.3 V, and reasonable operating stabilities (∼200 h at 550°C).

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Solid-state batteries enabled by ultra-high-frequency self-heating

Solid-state batteries (SSBs) are promising next-generation batteries due to their high energy density and enhanced thermal stability and safety. However, their sluggish kinetics and transport at room temperature result in high internal impedance and critically reduce the attainable discharge energy density. Taking advantage of their strong temperature-dependent ionic conductivity, here we introduce ultra-high-frequency (greater than 105 Hz) self-heating (UHFSH) of SSBs, which can rapidly warm up the batteries from room temperature to operating temperature (∼65°C) in less than a minute. As proof of concept, UHFSH experiments were conducted on symmetric solid-state cells with lithium aluminum germanium phosphate electrolyte in different configurations. Using an experimentally validated model, pack-level simulations predict fast heating (50 K/min) and minimized heating energy consumption (less than 4%). Without any modification of the materials or structure of the batteries, our non-intrusive self-heating strategy potentially enables SSBs to discharge more than 2-fold energy in 25°C ambient.

pulse heating↗