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2,888 records · Page 96

Novel Zwitterionic Polyurethane-in-Salt Electrolytes with High Ion Conductivity, Elasticity, and Adhesion for High-Performance Solid-State Lithium Metal Batteries

This study presents a novel polymer-in-salt (PIS) zwitterionic polyurethane-based solid polymer electrolyte (zPU-SPE) that offers high ionic conductivity, strong interaction with electrodes, and excellent mechanical and electrochemical stabilities, making it promising for high-performance all solid-state lithium batteries (ASSLBs). The zPU-SPE exhibits remarkable lithium-ion (Li+) conductivity (3.7 × 10⁻⁴ S cm−1 at 25 °C), enabled by exceptionally high salt loading of up to 90 wt.% (12.6 molar ratio of Li salt to polymer unit) without phase separation. It addresses the limitations of conventional SPEs by combining high ionic conductivity with a Li+ transference number of 0.44, achieved through the incorporation of zwitterionic groups that enhance ion dissociation and transport. The high surface energy (338.4 J m−2) and elasticity ensure excellent adhesion to Li anodes, reducing interfacial resistance and ensuring uniform Li+ flux. When tested in Li||zPU||LiFePO₄ and Li||zPU||S/C cells, the zPU-SPE demonstrated remarkable cycling stability, retaining 76% capacity after 2000 cycles with the LiFePO4 cathode, and achieving 84% capacity retention after 300 cycles with the S/C cathode. Molecular simulations and a range of experimental characterizations confirm the superior structural organization of the zPU matrix, contributing to its outstanding electrochemical performance. The findings strongly suggest that zPU-SPE is a promising candidate for next-generation ASSLBs.

Wang, Kun

Vehicle Technologies Program: Energy Storage R&D (2008 Annual Progress Report)

One of the primary objectives of the Energy Storage effort is the development of durable and affordable advanced batteries (and ultracapacitors) for use in a full range of vehicle applications, from start/stop to full-power HEVs, EVs, and PHEVs. The battery technology development activity spans three areas: system development of full battery systems; benchmark testing of emerging technologies in order to remain abreast of the latest industry developments; and Small Business Innovative Research (SBIR) to fund early-stage R&D for small businesses/entrepreneurs.

25 ENERGY STORAGE

Mechanistic origin of solvent-dependent thermal stability in sodiated Sn anodes for sodium-ion batteries

Understanding the thermal stability of high-energy density alloy anodes is critical for the safe deployment of sodium-ion batteries (SIBs). Here, accelerating rate calorimetry (ARC), post-mortem characterizations, and density functional theory (DFT) calculations are combined to understand the thermal reactivity of fully sodiated Sn, Sn-hard carbon (HC) blends, and HC anodes in carbonate- and ether-based electrolytes. ARC measurements show that propylene carbonate (PC) causes earlier self-heating rate (SHR) onset and higher reactivity than tetraethylene glycol dimethyl ether (TEGDME), indicating inferior thermal stability. Sodiated Sn exhibits better thermal stability than sodiated HC, while Sn-HC blends show intermediate behavior that improves with increasing Sn content. Post-ARC analyses reveal desodiation of Na15Sn4 to metallic Sn with particle coalescence, whereas Sn-HC blends and HC retain finer morphologies. PC promotes Sn oxidation to SnO, while TEGDME suppresses oxide formation; NaPF6-containing electrolytes additionally form NaF. DFT calculations show that PC adsorption lowers Na extraction energy and enhances interfacial electronic interactions, facilitating Na release and reductive decomposition. These results establish a direct correlation between solvent-dependent reaction pathways and thermal stability in SIB alloy anodes.

Accelerating rate calorimetry

Evaluation of Low-Energy Hydrogen Separation Method Using Metal-Organic Frameworks (MOFs) for Closed-Loop ECLSS Air Revitalization (CLEAR)

The State-of-the-Art (SOA) air revitalization architecture onboard the International Space Station (ISS) recovered approximately 50% of the oxygen (O 2 ) from metabolic carbon dioxide (CO 2 ) via the Sabatier process from 2011 to 2017. O 2 recovery is currently constrained by the limited availability of reactant hydrogen (H 2 ) preventing complete conversion of CO 2 to H 2 O. Increasing O 2 recovery within Closed-Loop ECLSS is essential to reducing resupply mass for long-duration manned missions; specifically focusing on water (H 2 O) which supplies H 2 for Sabatier via water electrolysis. Past ground test endeavors at Marshall Space Flight Center (MSFC) have attempted to recover H 2 from Sabatier-produced CH 4 using technologies such as carbon vapor deposition (CVD) and plasma pyrolysis. The byproducts of these technologies can act as a catalyst poison or reactor deadload to the Sabatier reactor. Hydrogen separation techniques must be utilized to maintain the Sabatier catalyst during gas recycling and must be scalable, non-energy intensive, and safe to operate in a habitation setting. Research indicated that metal-organic frameworks (MOFs) could meet these criteria and were tested for their capability to capture the various carbon-based gaseous products of CVD and plasma pyrolysis such as acetylene (C 2 H 2 ), ethylene (C 2 H 4 ), ethane (C 2 H 6 ), and carbon monoxide (CO) which would purify the hydrogen gas stream passing through the MOF. A sub-scale adsorption column was developed by Marshall Space Flight Center to test three MOF candidates against a synthetic gas mixture comprised of process-relevant carbonous gases and hydrogen to evaluate the separation capability of the MOFs. The results of the hydrogen separation capability, isothermal desorption capability, and demonstrated cyclic reuse of the MOF are presented in this paper.

Kagen Crawford

Selective Binding and Light-Driven Release of Fluorous PF 6 – and Radioactive 99 TcO 4 – Anions for All-to-Nothing Liquid–Liquid Extraction

The removal of anions from aqueous media using molecular receptors in liquid–liquid extraction is a long-standing strategy to clean up contaminated water sources. Therein, high selectivity is needed to remove specific ions from mixtures of other ions, and high affinity provides extractions at low concentrations. However, the high affinity creates a conundrum by impeding the release of the ions in any stripping steps needed for further processing. To circumvent this problem, light-responsive receptors have been proposed as candidates for turning off the binding, but they are currently untested in liquid–liquid extraction. We tested the feasibility of light-driven release using a cyanostar macrocycle. We demonstrate the selective extraction of PF$^{–}_{6}$ anions over large excesses of competing anions (Cl – , NO$^{–}_{3}$, SO$^{2–}_{4}$) followed by photodriven release for quantitative isolation of the target. Release relies on photoisomerization of the macrocycle’s five stilbenes generating distorted isomers to turn off binding. With modest reversibility, only a single-shot release was demonstrated, akin to photodriven uncaging. These methods were extended to the capture and photodriven release of ReO$^{–}_{4}$ and radioactive 99 TcO$^{–}_{4}$ anions at ∼90% efficiency. Extraction was demonstrated down to the highly dilute 4 ppb levels of the 99 TcO$^{–}_{4}$ anion. Furthermore, this proof-of-concept demonstration verifies the use of a large change in affinity for the all-to-nothing capture and release of target anions between liquid phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Large language model-driven database for thermoelectric materials

Thermoelectric materials have the ability to convert waste heat into electricity, offering a valuable solution for energy harvesting. However, their widespread use is hindered by low conversion efficiency, the reliance on expensive rare earth elements, and the environmental and regulatory concerns associated with lead-based materials. A fast and cost-effective way to identify highly efficient thermoelectric materials is through data-driven methods. These approaches rely on robust and comprehensive datasets to train models. Although there are several databases on thermoelectric materials, there is still a need to collect and integrate experimental data from peer-reviewed research articles to capture diverse compositions and properties of materials. Here, in this work, we developed a comprehensive database of 7,123 thermoelectric compounds, containing key information such as chemical composition, structural detail, seebeck coefficient, electrical and thermal conductivity, power factor, and figure of merit (ZT). We used the GPTArticleExtractor workflow, powered by large language models (LLM), to extract and curate data automatically from the scientific literature published in Elsevier journals. This process enabled the creation of a structured database that addresses the challenges of manual data collection. The open access database could stimulate data-driven research and advance thermoelectric material analysis and discovery.

Database

Advancing technologies for lignin-based jet fuel production in aqueous phase

Integrating lignin into a cellulosic ethanol plant for the co-production of lignin-based jet fuel (LJF) in aqueous phase offers a significant opportunity to boost operational efficiency, economic viability, carbon conversion, and the overall sustainability of biofuel and chemical production. LJF is lignin-structure-based jet fuel blendstocks primarily composed of alkyl-substituted mono-, bi-, and tri-cyclohexanes. It exhibits high energy density, potential for low emissions, and favourable blend characteristics that comply with drop-in specifications. An overview of lignin feedstock, catalytic processes, LJF chemical compositions, fuel properties tests, and techno-economic analysis (TEA) and life cycle assessment (LCA) indicate that (1) the reactivity of lignin plays a crucial role in its structure transformation to LJF molecules; (2) catalytic processing of lignin to LJF can occur through a simultaneous depolymerization and hydrodeoxygenation process, bypassing the intermediate step of producing and upgrading lignin-derived oil; (3) LJF's uniqueness molecules making it more promising for high energy content and low emission jet fuel properties for next generation sustainable aviation fuel (SAF); and (4) TEA and LCA demonstrate that LJF is not only potentially cost-effective but also offers favourable carbon footprint compared to other SAFs. In conclusion, this review highlights the most recent advancements in LJF technology, along with the challenges and opportunities that lie ahead in fulfilling its potential.

09 BIOMASS FUELS

Bosch Carbon Catalyst Regeneration in Water III: Experiments for and Related to Thermal Shock

Bosch technology has the potential to close the atmospheric revitalization loop by providing theoretically 100% regeneration of metabolic carbon dioxide into oxygen. The main obstacle to using Bosch technology is over-pressurization issues in the carbon formation reactor. Prior work on Bosch catalyst regeneration established that agitating carbon coated beads in water broke up pressure causing clogs and regenerated the catalyst surface. This process proved to be time consuming with experiments taking at least one hour to regenerate ten grams of carbon coated beads. In an attempt to shorten the processing time, thermally shocking the carbon coated beads prior to mechanical agitation was tested. Agitating the carbon coated beads after exposure to a saturated steam environment was also tested to ensure that the steam generated by thermally shocking the carbon coated beads would not cause adverse effects. The rationale behind thermally shocking the carbon coated beads is that the bead would pull away from the carbon shell due to a difference in the thermal expansion coefficients. The results of this project show that the processing time can be cut in half when compared to previous work, and that saturated steam has little to no effect on regeneration.

Bosch Process

Selecting an Encapsulant for an Aerospace Superconducting Machine

Achieving larger benefits from electrified propulsion in single aisle aircraft (the largest commercial aircraft market segment) necessitates that a significant fraction of their 20 MW or greater propulsion system be electrified. 5 to possibly 20 of the MW-scale electric machines investigated by NASA would be required to meet this need. Approximately 10-20 of NASA’s MW-scale electric machines would be required to reach the necessary power levels. Therefore, electric machines of 5 MW or greater are of interest. However, conventionally cooled high power density MW-scale electric machines still produce a significant amount of waste heat, which makes obtaining these power levels problematic. Highly efficient fully superconducting electric machines (or those with a cryogenically cooled, high purity copper or aluminum stator) are a possible solution but have multiple barriers to be overcome. One such barrier is the durability of superconducting windings. Superconductors are typically brittle, and encapsulants used to hold windings in place are a significant source of stress because of the mismatches in coefficient of thermal expansion at temperatures between room temperature and operational temperatures (20 to 77 K). These encapsulants also form a thermal barrier that can be detrimental to cooling the superconductors. This paper describes an initial study of commercially available encapsulants as it relates to superconducting machine applications along with initial modeling of thermal stress in superconducting windings for a superconducting or cryogenically cooled stator in a 5 MW electric machine.

encapsulant

User-Centric Communication With Aerial Network for 6G: A Reinforcement Learning Approach

Meeting the diverse needs of user verticals requires innovative cellular architectures that can offer additional degrees of freedom to provide on-demand services. The terrestrial user-centric radio access network (UC-RAN) stands out as an excellent choice for this purpose. However, a drawback of UC-RAN is its tendency to prioritize high-priority verticals, often resulting in a subpar quality of experience for low-priority verticals. This issue is particularly exacerbated in hotspot areas. Here, to address this problem, we introduce an aerial network integrated with terrestrial UC-RAN to provide coverage to users which are not served by the terrestrial network. Furthermore, we analyze the impact of key configuration and optimization parameters (COPs), such as location, transmit power, altitude, and beamwidth of aerial base stations (ABSs) on system key performance indicators (KPIs), such as coverage, latency satisfaction, average spectral efficiency, and energy efficiency. We formulate a robust multiobjective function to maximize these KPIs without biasing toward any specific KPI(s). Finally, we propose a deep reinforcement learning optimization framework based on the state-of-the-art soft actor-critic algorithm to control ABS COPs and optimize system KPIs. Experimental evaluations demonstrate that the proposed optimization framework can converge to near-optimal solutions derived from the pseudo brute force in a few thousand epochs.

6G

Multitask graph neural networks for elastoplastic response prediction in dual-phase polycrystals

Microstructure-sensitive prediction of elastoplastic response remains a recurring bottleneck in multiscale damage and fatigue modeling, where large ensembles of statistically distinct polycrystals are required to quantify variability and extreme-value behavior. In this work, we develop a multitask graph neural network (GNN) surrogate that maps dual-phase ferrite–martensite polycrystal microstructures to Statistical Volume Element (SVE)-level elastoplastic Quantities of Interest (QoIs). Each SVE is represented as a grain-adjacency graph, with node features encoding phase, geometry, and crystallographic orientation, and edge features encoding relative misorientation. A message-passing graph convolution generates node embeddings, which are pooled into a graph representation and passed to a multitask regression head that jointly predicts 10 scalar QoIs and vector-valued stress–strain responses in orthogonal loading directions across multiple martensite volume fractions and SVE sizes. Results show high accuracy for scalar QoIs and strong agreement for full stress–strain trajectories, with population envelopes reproducing both median behavior and finite-SVE variability across compositions and partition scales. A unified model trained on pooled volume-fraction data preserves most within-regime accuracy relative to regime-specific models while also capturing the broader cross-regime variation reflected in the pooled test set. Distributional comparisons further demonstrate that the surrogate preserves heterogeneity under SVE partitioning, enabling statistically consistent block-wise random-field construction for mesoscale analyses. Overall, the proposed grain-graph surrogate provides a practical pathway to accelerate ensemble-based studies of SVE-level constitutive variability in dual-phase polycrystals.

Crystal plasticity

Characterization of lateral amorphous selenium photodetectors for low-photon and VUV detection at cryogenic temperatures

The performance of amorphous selenium (a-Se) as a cryogenic photodetector material is evaluated through a series of experiments using laterally structured devices operated in a custom optical test stand. These studies investigate the response of a-Se detectors to low-photon fluxes at high electric fields near avalanche conditions, the linearity of the photoconductive response over a wide dynamic range and the direct detection of narrowband 130 nm vacuum ultraviolet (VUV) illumination. At 87 K, matched-filter analysis shows reliable single-shot detection with efficiencies ≥80% and area under the curve (AUC) ≥ 0.85 using as few as ∼ 6800 incident 401 nm photons, corresponding to ∼ 3400 photons within field-active regions after accounting for geometric constraints. Measurements are performed at cryogenic temperatures using calibrated photon fluxes derived from a silicon photomultiplier reference and a characterized optical filter stack. Additional experiments using a tellurium-doped a-Se (a-SeTe) device explore the material's behavior under identical test conditions and demonstrate that avalanche is achievable in a-SeTe at cryogenic temperatures. The results demonstrate reproducible low-noise operation, VUV sensitivity and field-dependent gain behavior in a lateral a-Se architecture, representing the first reported observation of avalanche multiplication in laterally structured a-Se and a-SeTe devices at cryogenic temperatures. These findings support the potential integration of laterally structured a-Se devices into next-generation pixelated liquid-argon time projection chambers (TPCs) requiring scalable, high-field-compatible photon detection systems.

Amorphous selenium

Nitrene generation and transfer for unnatural biosynthesis in living cells

Abstract Synthetic biology has enabled the production of natural and unnatural products from inexpensive sustainable feedstocks. Yet, the scope of available products has been limited largely to compounds accessible from nature’s chemical reactions. Evolved enzymes can catalyse reactions of unnatural substrates or reactions not found in nature but often require the addition of synthetic reagents to purified enzymes or to resting cells containing those enzymes. Here we show that chemical reactions of metabolic intermediates produced intracellularly in living cells can include intermolecular nitrene transfers. The biosynthesis of N -acetoxyanilines, in combination with the generation and transfer of N -aryl nitrene intermediates from them catalysed by a cytochrome P450, generates amino alcohols, diamines, diarylamines and aminoalkyl arenes from simple carbon feedstocks. These products—common substructures of pharmaceuticals and agrochemicals—are challenging to synthesize by standard organic chemistry and were produced from inexpensive, renewable feedstocks. Evolution of the enzymes in this pathway showed that titres can be increased by engineering and that the products can be synthesized with high enantioselectivity.

Donnell, Isaac

A quantitative imaging framework for lithium morphology: Linking deposition uniformity to cycle stability in lithium metal batteries

Characterizing the morphology of lithium (Li) is crucial for developing long-lasting lithium metal batteries. It is well established that more uniform Li deposition correlates with better cell performance. Li morphology is often characterized through qualitative analysis of scanning electron microscopy (SEM) images; however, there are no widely accepted metrics to quantitatively describe deposition uniformity. Here, we propose a framework to quantify uniformity through SEM image analysis via the index of dispersion (ID) metric, which is defined and presented in the context of Li metal batteries. We also explore experimental impacts of sampling protocols onIDmeasurements. Our results demonstrate that theIDmetric is highly sensitive to variations in deposition uniformity, including the coexistence and uniformity of multiple morphologies, uniformity within a single morphology, and particle size distribution uniformity. Furthermore, it is demonstrated that uniformity, as measured by theID, can be related to the average potential of Li||Li symmetric cells over cycling. Higher capacity cycling leads to more pronounced changes in bothIDand average cell potential. Local minima/maxima are found consistently in bothIDand average cell potential immediately before cells short-circuit, which we suggest may indicate a collapse of the microstructure prior to failure. We put forward this framework as a more robust approach to quantify Li deposition uniformity, advancing the development of Li metal batteries that are safer and longer lasting.

Science & Technology - Other Topics

Enhancement of the Physical and Mechanical Properties of Cellulose Nanofibril-Reinforced Lignocellulosic Foams for Packaging and Building Applications

Biobased foams have the potential to serve as eco-friendly alternatives to petroleum-based foams, provided they achieve comparable thermomechanical and physical properties. We propose a facile approach to fabricate eco-friendly cellulose nanofibril (CNF)-reinforced thermomechanical pulp (TMP) fiber-based foams via an oven-drying process with thermal conductivity as low as 0.036 W/(m·K) at a 34.4 kg/m3 density. Acrodur®, iron chloride (FeCl3), and cationic polyacrylamide (CPAM) were used to improve the foam properties. Acrodur® did not have any significant effect on the foamability and density of the foams. Mechanical, thermal, cushioning, and water absorption properties of the foams were dependent on the density and interactions of the additives with the fibers. Due to their high density, foams with CPAM and FeCl3 at a 1% additive dosage had significantly higher compressive properties at the expense of slightly higher thermal conductivity. There was slight increase in compressive properties with the addition of Acrodur®. All additives improved the water stability of the foams, rendering them stable even after 24 h of water absorption.

Chemistry

Evaluation of Long-Term Storage Stability and Operational Efficiency of Rapid Cycle Amine Adsorbents

With the recent incorporation of Mars Extravehicular Activity (EVA) into the 2025 NASA roadmap, Rapid Cycle Amine (RCA) technology advancement within the Exploration Extravehicular Mobility Unit (xEMU) applies to both the upcoming Lunar Artemis missions and future human exploration of Mars. The incorporation of commercial spacesuit vendors to service NASA’s crewed-space programs since 2021 has increased the demand for regenerable, RCA-based carbon dioxide (CO2) and humidity control adsorbents. The regenerable RCA subunit is the most advanced, long-term solution for CO2 removal and humidity control, enabling both lunar and Martian EVAs. The adsorbent selected for use within the RCA unit must exhibit sufficient storage stability and operational efficiency for prolonged missions. As XploSafe worked to simultaneously develop both a recirculating sub-atmospheric test rig and adsorbents for the RCA system within the xEMU, several novel adsorbents were evaluated for long-term storage stability in support of future extended-duration missions. The chosen materials were periodically evaluated by nuclear magnetic resonance (NMR) spectroscopy, thermal desorption-coupled with gas chromatography/mass spectrometry (TD-GC/MS), and CO2 adsorption to assess long-term storage efficacy across various environmental storage conditions. NMR spectroscopy was utilized by extracting the active CO2 adsorbing chemical from the solid support with deuterated solvent and comparing the spectra over time for degradation and change. The solid adsorbents were also analyzed via TD-GC/MS to reveal any potential off-gassing chemicals over time. Additionally, XploSafe’s breakthrough test rig was utilized to dose the solid adsorbents with a 585 BTU/h metabolic rate flow-equivalent CO2 stream and monitored for 0–99% CO2 breakthrough. The performance metrics from the breakthrough analysis were compared over the storage study duration for CO2 removal and humidity control. Xplo-SA9T was evaluated for 24 months, whereas two additional adsorbent variants, MMPA-Sorbent and LPEI-Sorbent, were each evaluated for 12 months.

John R Tidwell

Magnet-superconductor hybrid quantum systems: a materials platform for topological superconductivity

Magnet–superconductor hybrid (MSH) systems have recently emerged as one of the most significant developments in condensed matter physics. This has generated, in the last decade, a steadily rising interest in the understanding of their unique properties. They have been proposed as one of the most promising platforms for the establishment of topological superconductivity, which holds high potential for application in future quantum information technologies. Their emergent electronic properties stem from the exchange interaction between the magnetic moments and the superconducting condensate. Given the atomic-level origin of such interaction, it is of paramount importance to investigate new magnet–superconductor hybrids at the atomic scale. In this regard, scanning tunneling microscopy (STM) and spectroscopy are playing a crucial role in the race to unveil the fundamental origin of the unique properties of MSH systems, with the aim to discover new hybrid quantum materials capable of hosting topologically non-trivial unconventional superconducting phases. In particular, the combination of STM studies with tight-binding model calculations have represented, so far, the most successful approach to unveil and explain the emergent electronic properties of MSHs. The scope of this review is to offer a broad perspective on the field of MSHs from an atomic-level investigation point-of-view. The focus is on discussing the link between the magnetic ground state hosted by the hybrid system and the corresponding emergent superconducting phase. This is done for MSHs with both one-dimensional (atomic chains) and two-dimensional (atomic lattices and thin films) magnetic systems proximitized to conventional s-wave superconductors. We present a systematic categorization of the experimentally investigated systems with respect to defined experimentally accessible criteria to verify or falsify the presence of topological superconductivity and Majorana edge modes. The discussion will start with an introduction to the physics of Yu–Shiba–Rusinov bound states at magnetic impurities on superconducting surfaces. This will be used as a base for the discussion of magnetic atomic chains on superconductors, distinguishing between ferromagnetic, antiferromagnetic and non-collinear magnetic ground states. A similar approach will be used for the discussion of magnetic thin film islands on superconductors. Given the vast number of publications on the topic, we limit ourselves to discuss works which are most relevant to the search for topological superconductivity.

Majorana states

Strategic Melamine Coating on Lithium Metal for Li 3 N-Rich Solid Electrolyte Interphase and Improved Battery Cycling Stability

The practical applications of lithium (Li) metal batteries (LMBs) are limited by challenges such as dendrite formation and unstable solid electrolyte interphase (SEI), especially at higher C-rates. Here, this study introduces melamine-coated Li metal anodes (LMAs), forming a Li 3 N-rich SEI layer that improves ionic conductivity and mechanical stability. The optimized melamine-coated LMA demonstrated uniform coverage resulting in denser Li deposition, nearly doubled cycle life (~148 cycles at 0.5 C, 1C = 4.1 mA cm -2 ), compared to Bare-Li. These findings emphasize that coating materials-induced beneficial SEI components could lead to improvement of LMB performance.

Batteries