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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 469 records · Page 26

Controlling dendrite propagation in solid-state batteries with engineered stress

Metal-dendrite penetration is a mode of electrolyte failure that threatens the viability of metal-anode-based solid-state batteries. Whether dendrites are driven by mechanical failure or electrochemical degradation of solid electrolytes remains an open question. If internal mechanical forces drive failure, superimposing a compressive load that counters internal stress may mitigate dendrite penetration. Here, we investigate this hypothesis by dynamically applying mechanical loads to growing dendrites in Li 6.6 La 3 Zr 1.6 Ta 0.4 O 12 solid electrolytes. Operando microscopy reveals marked deflection in the dendrite growth trajectory at the onset of compressive loading. For sufficient loading, this deflection averts cell failure. Using fracture mechanics, we quantify the impact of stack pressure and in-plane stresses on dendrite trajectory, chart the residual stresses required to prevent short-circuit failure, and propose design approaches to achieve such stresses. For the materials studied here, we show that dendrite propagation is dictated by electrolyte fracture, with electronic leakage playing a negligible role.

25 ENERGY STORAGE↗

Fast ionic conduction achieved through the design and synthesis of ceramic heterointerfaces

Lithium (Li) chloride and iron oxychloride (FeOCl), typically nonconductive, were combined to form a [Li 1+δ Cl] δ+ /[FeOCl] δ- heterointerface composite material (LFH), achieving ionic conductivities of >1 mS cm -1 . Analysis techniques (scanning transmission electron microscopy [STEM] and electron energy-loss spectroscopy [EELS]) indicated that the microstructure of LFH consisted of an amorphous LiCl-based shell surrounding a crystalline FeOCl-based core. Electrochemical measurements alongside solid-state 6,7 Li nuclear magnetic resonance (NMR) and molecular dynamic simulations revealed Li+ as the sole conductive species, with a diffusion barrier of ~0.25 eV. X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) results further supported interstitial Li + diffusion at the heterointerface and within the LiCl phase, made possible by the heterointerface. Despite susceptibility to electronic conductivity, iron’s defects and multivalency (Fe³⁺, Fe²⁺) enable the Fe–O–Cl framework to accept Cl - , facilitating Li⁺ ionic conduction. Finally, a prototype solid-state cell (showing 97% Coulombic efficiency) demonstrated the viability of this heterointerface design for applications in energy storage.

36 MATERIALS SCIENCE↗

High-emissivity, thermally robust emitters for high power density thermophotovoltaics

Thermal radiative energy transport is essential for high-temperature energy harvesting technologies, including thermophotovoltaics (TPVs) and grid-scale thermal energy storage. However, the inherently low emissivity of conventional high-temperature materials constrains radiative energy transfer, thereby limiting system performance and technoeconomic viability. Here, in this study, we demonstrate ultrafast femtosecond laser-material interactions to transform diverse materials into near-blackbody surfaces with broadband spectral emissivity above 0.96. This enhancement arises from hierarchically engineered light-trapping microstructures enriched with nanoscale features, effectively decoupling surface optical properties from bulk thermomechanical properties. These laser-blackened surfaces (LaBS) exhibit exceptional thermal stability, retaining high emissivity for over 100 h at temperatures exceeding 1,000°C, even in oxidizing environments. When applied as TPV thermal emitters, Ta LaBS double electrical power output from 2.19 to 4.10 W cm −2 at 2,200°C while sustaining TPV conversion efficiencies above 30%. This versatile, largely material-independent technique offers a scalable and economically viable pathway to enhance emissivity for advanced thermal energy applications.

laser-blackened surfaces↗

Techno-economic analysis and life cycle assessment for the catalytic hydrogenolysis and hydrocracking of polyethylene

Catalytic hydrogenolysis and hydrocracking are promising technologies for the conversion of polyolefin waste into hydrocarbons. Here, to explore the economic and environmental viability of these approaches, we conducted techno-economic analysis and life cycle assessment of polyethylene hydrogenolysis and hydrocracking processes that produce fuel-range products or olefins, respectively. Relative to primary production, the minimum selling price (MSP) of alkanes for linear-chain naphtha was estimated to be 1.8-fold higher, whereas branched-chain naphtha and propylene were shown to be cost competitive. Environmental impacts showed similar trends across scenarios, with propylene production by hydrocracking exhibiting greenhouse gas emissions comparable with conventional propylene due to relatively low hydrogen demand and high yield. Together, these results suggest that innovations in catalysis and reaction engineering will be required to make viable products that are scale matched with today's plastics, such as light olefins for closed-loop recycling.

09 BIOMASS FUELS↗

How fast can one resize a distributed file system?

Efficient resource utilization becomes a major concern as large-scale distributed computing infrastructures keep growing in size. Malleability, the possibility for resource managers to dynamically increase or decrease the amount of resources allocated to a job, is a promising way to save energy and costs. However, state-of-the-art parallel and distributed storage systems have not been designed with malleability in mind. The reason is mainly the supposedly high cost of data transfers required by resizing operations. Nevertheless, as network and storage technologies evolve, old assumptions about potential bottlenecks can be revisited. In this study, we evaluate the viability of malleability as a design principle for a distributed storage system. We specifically model the minimal duration of the commission and decommission operations. To show how our models can be used in practice, we evaluate the performance of these operations in HDFS, a relevant state-of-the-art distributed file system. We show that the existing decommission mechanism of HDFS is good when the network is the bottleneck, but can be accelerated by up to a factor 3 when storage is the limiting factor. We also show that the commission in HDFS can be substantially accelerated. With the highlights provided by our model, we suggest improvements to speed both operations in HDFS. We discuss how the proposed models can be generalized for distributed file systems with different assumptions and what perspectives are open for the design of efficient malleable distributed file systems.

97 MATHEMATICS AND COMPUTING↗

Diffusional lithium trapping as a failure mechanism of aluminum foil anodes in lithium-ion batteries

Aluminum foils are an appealing anode for lithium-ion batteries due to high capacity and low-cost, but their viability has been limited due to poor cyclability arising from pulverization and solid-electrolyte interphase growth. Here, we show that significant capacity degradation of aluminum foil anodes during electrochemical cycling also occurs due to diffusional lithium trapping. Scanning electron microscopy of cross-sectioned, cycled foils in the delithiated state reveals large regions of β-LiAl that are passivated by a surface layer of α-Al, which has poor Li + diffusivity. It is found that lithium diffusion occurs preferentially along the β-LiAl grain boundaries, so the grain structure after initial lithiation significantly affects the trapping behavior. Diffusional lithium trapping is exacerbated by both higher delithiation rates and higher areal capacity, presenting a challenge towards commercialization of aluminum foil anodes. We further demonstrate that diffusional trapping in aluminum foil anodes can be mitigated through alloy design, with the addition of 2–3 wt% Li yielding improved first cycle efficiency, and the addition of 1 wt% Si yielding improved cycle life. These results provide a mechanistic understanding of diffusional lithium trapping in aluminum foil anodes and highlight compositional design of alloys as a promising strategy to overcome it.

25 ENERGY STORAGE↗

An Accelerated Testing and Analysis Framework for Qualification of Battery Materials Part I: A Case Study with LFP Cathodes

The growing demand for batteries used within automotive, aviation, and grid applications has exacerbated the need to supplement critical battery material feedstocks, such as those for anode and cathode active materials. New or supplementary material sources, however, universally comprise unique properties that can affect the lifetime and performance of resultant batteries. Even minor differences between new sources and established supplies can delay qualification, making it difficult for new suppliers to commercialize and resulting in a less resilient supply chain. Accordingly, the influence of composition, microstructure, and morphology on electrochemical performance should be characterized quickly and accurately to accelerate commercialization of new sources. This work introduces a tiered framework to assess new material viability and understand the influence of physicochemical properties on battery performance. The Tier 1 testing described here is rapid and low-effort to recognize materials with fundamental flaws and potentially disqualify them. Later testing would require more effort but provide higher-fidelity information with a goal of application-based validation. A case study examining commercial sources of LiFePO4 (LFP) is presented, using Tier 1 of the protocol to identify rapid electrochemical and physicochemical signals that correlate with performance and provide early go/no-go decisions for LFP materials without requiring long-term cycling.

25 ENERGY STORAGE↗

Off-stoichiometric semiconductors Cu 1.33+x Zn 1.33-x In 1.33 Se 4 (x = 0, 0.1, 0.2 and 0.3): Synthesis, structure, and thermal and electrical properties

The synthesis, structure, and temperature dependent thermal and electrical properties of off-stoichiometric polycrystalline modified zinc blende quaternary chalcogenides Cu 1.33+x Zn 1.33-x In 1.33 Se 4 , where x = 0, 0.1, 0.2 and 0.3, are investigated. Temperature-dependent electrical properties reveal these compositions to be semiconductors with alteration of the carrier concentration and electrical transport via stoichiometric variation. The thermal conductivity is low for all specimens and intrinsic to these materials. First principles calculations are also reported in establishing a fundamental investigation that illustrates the large variation in stoichiometry that is possible in these materials. This stoichiometric variation results in the observed variation of the transport properties. Overall, the results presented reveal fundamental structure-property relationships in these quaternary chalcogenides, and provides a basis for further research into the viability for large stoichiometric variation in other materials that are of interest for technological applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Geochemical advances in Arctic Alaska oil typing – North Slope oil correlation and charge history

The Arctic Alaska petroleum province is geologically and geochemically complex. Mixed hydrocarbon charge from multiple source rocks and/or levels of thermal maturity is common within an individual oil pool. Biomarker and chemometric statistical analyses were used to correlate twenty-nine oils to five oil families derived from: (1) Triassic Shublik Formation (calcareous organofacies), (2) Triassic Shublik Formation (shaly organofacies), (3) Jurassic Kingak Shale, (4) Cretaceous shale (pebble shale unit and Hue Shale), and (5) Paleogene shale (Canning Formation). Age-diagnostic and source-related oil biomarker parameters establish clear genetic relationships between the normal oil-window components and their putative source designations. However, application of diamondoid analyses reveals mixed-oil accumulations with postmature charge contributions (diamondoid-rich and biomarker-poor) in many oils. Most sampled reservoirs contain a predominant charge derived from a single oil-window source plus a minor contribution from one or more higher maturity source(s). Variations in source organofacies also are recognized in the Shublik, Kingak, and Cretaceous oil families. In some cases, oils from multiple pools within a single field display relatively homogeneous geochemical profiles, suggesting a common source and migration pathway. For example, oil from the significant Pikka discovery is inferred to originate mainly from the calcareous Shublik Formation. In other cases, variability among oils from multiple pools within a single field (e.g., Milne Point, Colville River, and Northstar) likely indicates a more complex source, migration, and charge history. The results of this study may be useful for anticipating the composition of oil charge in stratigraphic traps with low-permeability sandstone reservoirs, where oil gravity and other chemical parameters may influence economic viability.

58 GEOSCIENCES↗

High throughput structure–property relationship for additively manufactured 316L/IN625 alloy mixtures leveraging 2-step Bayesian estimation

While the fabrication of graded materials by directed energy deposition (DED) has led to accelerated materials discovery, the ability to rapidly explore sufficiently large material composition spaces is limited due to the time-intensive nature of conventional materials characterization techniques. The present study investigates the viability of small punch test (SPT) protocols for rapidly evaluating DED-fabricated alloy mixtures of stainless steel 316L (316L) and Inconel 625 (IN625). The SPT protocols evaluated in this study include both the recently established two-step Bayesian estimation framework as well as the empirical relationships established in prior literature. It is shown that these protocols are capable of reliably and quantitatively tracking the changes in the mechanical properties of the alloy mixtures studied. Enhancement of mechanical properties was observed with the addition of IN625 to 316L, which is attributed to the austenite stabilization in the matrix and the formation of fine δ - Ni3Nb precipitates. It is shown that CALPHAD-based Scheil model simulations predicted the formation of different precipitate phases for each composition. The novel protocols presented in this paper open new avenues for high throughput material explorations for additive manufacturing.

2-step Bayesian estimation↗

Ultrasonic additive manufacturing of zirconium: Pilot results

Ultrasonic additive manufacturing (UAM) was successfully applied to the Zirconium material system to create a three-dimensional component prototype. The UAM process resulted in grain size refinement and significant localized deformation. Electron backscatter diffraction analysis revealed activated slip systems only applicable at high deformation temperatures, while texture analysis showed a decrease in measurable texture of the UAM build in comparison to the initial Zr-foil. Average tensile strengths in the X (sonotrode travel), Y (vibration), and Z (build) directions averaged 435 MPa, 458 MPa, and 359 MPa, respectively, demonstrating the viability of UAM for Zr-based materials. Furthermore, the delamination of some Z specimens along foil boundaries during loading suggests an interplay between interfacial Ti impurities introduced during welding and the spatial dependence of weld quality for this material system.

36 MATERIALS SCIENCE↗

Electrolyte-driven interphase stabilization in high-voltage sodium-ion full cells

Sodium-ion batteries with a high-voltage O3-type layered oxide cathode paired with a hard carbon anode can offer high energy density; however, significant interfacial instabilities driven by electrode/electrolyte reactions limit a broader industrial adoption. Localized high concentration electrolytes (LHCEs) are a rational choice as they promote salt decomposition over solvent, forming stable, inorganic-rich electrode-electrolyte interphases (EEIs). We present here a comparison of high-voltage (4.2 V) hard carbon | NaNi 1/3 Fe 1/3 Mn 1/3 O 2 pouch cells in LHCEs and in a standard carbonate-based electrolyte by (i) examining the influence of diluent choice on the electrochemical performance of LHCEs and (ii) investigating how the electrolyte chemistry affects the composition and structure of EEIs formed. Importantly, LHCEs demonstrate superior electrochemical performance, achieving 37% higher capacity after 200 cycles (119 vs. 87 mA h g -1 ) compared to the carbonate-based electrolyte. The enhanced stabilization provided by LHCEs at the interface with high-voltage sodium layered oxide cathode is revealed by gas evolution measurements obtained through online electrochemical mass spectrometry (OEMS). Time-of-flight secondary ion mass spectrometry paired with focused ion beam and advanced statistical analyses reveal that the superior performance of LHCE stems from a robust, thin cathode electrolyte interphase formed on the sodium layered oxide cathode and a homogeneous solid electrolyte interphase formation on the hard carbon anode. Furthermore, this study highlights the critical importance of electrolyte design in interphase stabilization, which plays a key role in advancing sodium-ion batteries toward commercial viability.

25 ENERGY STORAGE↗

Ultra-selective CANAL Polymers for Hydrogen-based Membrane Separations after Long-Term Aging

Hydrogen is a critically important molecule in the chemicals and energy industries, driving the need for efficient purification technologies such as membrane-based separations. However, polymer membranes often suffer from physical aging, leading to decreased gas permeability over time. This study leverages the unique aging behavior of contorted microporous polymers, synthesized via catalytic arene-norbornene annulation (CANAL) polymerization, to enhance molecular sieving for H 2 separations. While prior studies demonstrated a 1000% increase in H 2 /CH 4 selectivity with minimal permeability loss over 150 days, we extend this investigation to hyperaged (∼1 year) CANAL polymers and evaluate their performance under various conditions of industrial relevance. We report a remarkable 6100% increase in H 2 /CH 4 selectivity and a 2400% improvement in H 2 /N 2 selectivity, with only a 55% decline in H 2 permeability. These membranes exhibit excellent long-term stability in binary and ternary gas mixtures and at elevated temperatures. Additionally, extended aging enhances H 2 /CO 2 selectivity beyond the 2008 upper bound due to improved size-sieving. High-temperature permeation experiments and grand canonical Monte Carlo simulations reveal that H 2 permeability increases from 570 to 3500 barrer as the temperature rises from 35 °C to 190 °C, while H 2 /CO 2 selectivity declines from 14 to 3 due to the higher diffusion activation energy of CO 2 . Despite this tradeoff, hyperaged CANAL membranes maintain performance beyond the 200 °C upper bound, having selectivity–permeability performance comparable to many state-of-the-art membranes for H 2 /CO 2 separations. As a result, this study highlights the robustness and industrial viability of ultra-selective CANAL polymers for hydrogen purification, contributing to advancements in clean energy and sustainable separation technologies.

36 MATERIALS SCIENCE↗

The influence of thermomechanical treatment pathways on texture and mechanical properties in ARB Cu/Nb nanolaminates

Accumulative roll-bonded Cu/Nb nanolaminates (ARB Cu/Nb) possess high strength, thermal stability, and radiation tolerance arising from a high content of heterophase interfaces at fine layer thicknesses. These properties can be tailored by processing parameters used in the ARB Cu/Nb fabrication process, in which layer thickness, thermal history, and strain pathway determine the interface types and resultant properties found in the material. In this work, we subject ARB Cu/Nb to annealing, and then two different rolling pathways – one where rolling direction is held constant (longitudinal rolling, or LR), and one where rolling direction is rotated by 90º and held constant thereafter (cross rolling, or CR). Rolling is performed on ARB Cu/Nb over a targeted range of layer thicknesses from 193 to 25 nm and resultant bulk textures measured by neutron diffraction are correlated with mechanical properties measured by miniaturized tensile tests. The annealing procedure sharpens texture in both phases. We find that Cu mostly develops the same texture in LR and CR. In contrast, Nb develops a distinct texture along the CR pathway that is distinct from the LR texture. The composite texture of Cu/Nb is thus distinct between LR and CR pathways. This difference in texture development between Cu and Nb as a function of strain after change in rolling direction demonstrates the viability for deliberate pairing of Cu LR and Nb CR textures at a desired layer thickness. For mechanical properties, we find that differences in texture do not result in yield or flow stress differences above a layer thickness of 25 nm. Below a layer thickness of 25 nm, despite similar Taylor factors, yield and flow stress and are significantly different. In conclusion, this indicates texture only influences mechanical behavior at low layer thickness, where interface structure dominates mechanical properties.

36 MATERIALS SCIENCE↗

Anomalous neutron nuclear-magnetic interference spectroscopy

The electron–phonon interaction plays a critical role in materials’ electrical, thermal, optical, and superconducting properties. However, measuring the phonon mode-resolved electron–phonon interaction has been challenging. Here we propose neutron-scattering-based Anomalous Neutron nUclear-Magnetic Interference Spectroscopy (ANUBIS), where the co-existence of neutron nuclear scattering and magnetic scattering leads to anomalous dynamical structure factor under the presence of the electron–phonon interaction. Such anomalous structure factor is linear in electron–phonon coupling constant at the phonon wavevector, and is directly proportional to the momentum and energy-resolved dielectric function. The experimental configuration can be achieved using existing polarized inelastic neutron scattering setup, and an order-of-magnitude estimate shows the viability to observe the anomalous scattering signal is around to 10 –4 to 10 –3 relative to phonon scattering, which is examined through the preliminary experiments and achievable at emerging neutron facilities. As a result, our proposal offers an alternative neutron-based metrology to probe the crucial electronic properties.

Electron-phonon interactions↗

Cold air quench control of local crystallization environment in fully air-processed carbon-based perovskite solar cells

Carbon-based perovskite solar cells (C-PSCs) present a low-cost route to efficient photovoltaic technology. Gas quenching is an essential process commonly used for solvent extraction in scalable module fabrication using solution processes, but film quality remains highly sensitive to the localized environmental processing temperature, especially during intermediate phase transitions before perovskite film high temperature annealing. In this study, we introduce a cold air quench strategy to precisely control the local crystallization temperature that simultaneously promotes uniform crystallization and facilitates strain relaxation in fully air-processed C-PSCs. It is found that implementing dry air at 10 °C as the quenching gas yields a champion power conversion efficiency (PCE) of 20.52 %, with preferential (110) orientation and reduced, homogenized in-plane strain. This newly developed technique of a cost-effective low temperature air quenching process also enhances carrier lifetime, reduces interface recombination, and improves charge extraction. Furthermore, this work presents cold air quenching as a scalable, economic method to control perovskite crystallization and strain in C-PSC fabrication, advancing the industrial viability of high-performance perovskite modules.

14 SOLAR ENERGY↗

Confirming the absence of nuclear warheads via passive gamma-ray measurements

Arms-control agreements between the United States and Russia negotiated after the end of the Cold War have imposed limits on the number of deployed strategic nuclear weapons. Verification of these agreements has relied on onsite inspections, sometimes supported by radiation detection techniques to confirm the absence of a nuclear warhead when ambiguities arise. So far, these measurements have sought to detect neutron emissions associated with the presence of plutonium, but they would be inadequate for uranium devices. In an effort to offer instruments that could be used to confirm the absence of both plutonium and uranium weapons, here we propose an inspection system that uses only passive gamma radiation detection techniques. Such a system would be particularly valuable for next-generation arms-control agreements that limit total numbers of weapons and would involve containerized items in storage. We conducted extensive Monte Carlo simulations to support the development of a verification protocol and detection algorithm. Here, we demonstrate the viability of the technique using standard laboratory check sources and MCNP simulations for simplified configurations of special nuclear material.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗