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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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118 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Ionic Associations and Hydration in the Electrical Double Layer of Water-in-Salt Electrolytes

Water-in-Salt-Electrolytes (WiSEs) are an exciting class of concentrated electrolytes finding applications in energy storage devices because of their expanded electrochemical stability window, good conductivity and cation transference number, and fire-extinguishing properties. These distinct properties are thought to originate from the presence of an anion-dominated ionic network and interpenetrating water channels for cation transport, which indicates that associations in WiSEs are crucial to understanding their properties. Currently, associations have mainly been investigated in the bulk, while little attention has been given to the electrolyte structure near electrified interfaces. Here, we develop a theory for the electrical double layer (EDL) of WiSEs, where we consistently account for the thermoreversible associations of species into Cayley tree aggregates. The theory predicts an asymmetric structure of the EDL. At negative voltages, hydrated Li + dominates, and cluster aggregation is initially slightly enhanced before disintegration at larger voltages. At positive voltages, when compared to the bulk, clusters are strictly diminished. Performing atomistic molecular dynamics (MD) simulations of the EDL of WiSE provides EDL data for validation and bulk data for parametrization of our theory. Validating the predictions of our theory against MD showed good qualitative agreement. Furthermore, we performed electrochemical impedance measurements to determine the differential capacitance of the studied LiTFSI WiSE and also found reasonable agreement with our theory. Overall, the developed approach can be used to investigate ionic aggregation and solvation effects in the EDL, which, among other properties, can be used to understand the precursors for solid-electrolyte interphase formation.

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

Toward Intelligent Multimodal Holography for Real-Time Chemical Imaging of Dynamic Ion Separation

Molecular-level visualization of ion transport and separation dynamics in complex environments is crucial for advancing energy systems, water purification, and critical materials recovery. Achieving this requires imaging platforms that combine structural sensitivity, chemical specificity, and real-time operation. Digital off-axis holography (DOAH) provides high-throughput, label-free quantitative phase imaging but inherently lacks chemical selectivity. Integrating DOAH with complementary spectroscopic channels such as fluorescence or hyperspectral imaging introduces the needed molecular specificity, while also creating challenges in multimodal data fusion, synchronization, and computational throughput. Artificial intelligence offers a powerful route to address these limitations by uniting physics-based reconstruction with data-driven interpretation. In this Perspective, we outline a framework for intelligent multimodal holography and demonstrate its potential using a preliminary AI-driven test case. Raw DOAH holograms of lanthanide solutions subjected to magnetic field gradients were analyzed using multi-agent AI workflows that autonomously selected reconstruction tools, extracted NMF components, and generated scientific claims consistent with true paramagnetic and diamagnetic behavior. This demonstration shows how AI-enabled reasoning can deliver real-time chemical–structural interpretation directly from raw holograms. Together, these advances define a path toward adaptive, intelligent holography platforms capable of supporting in situ chemical separations, dynamic ion transport analysis, and next-generation interfacial science.

Ricchiuti, Giovanna↗
DOE OSTI2026

Nanometer Scale Imaging to Develop Quantitative Descriptors of Bipolar Membrane Junction Structure

Swings in pH can be achieved by electrically polarizing a bipolar membrane (BPM) to drive water dissociation at the BPM junction for electrochemical conversion and separation processes. BPM junction design is critical to tailor performance for specific applications; however, characterization techniques capable of resolving the nanometer scale physical structure of the junction are limited. We present sample preparation, imaging, and analysis workflows that are adaptable to a variety of BPM junction architectures. Atomic force microscopy produces BPM junction images with nanometer scale lateral resolution for samples with and without a graphene oxide water dissociation catalyst in the junction. Subsequent image segmentation and analysis quantify line edge roughness and catalyst layer thickness as descriptors of junction structure. Comparison of pre- and post-electrodialysis junctions suggests electric field-induced alignment of catalyst particles during electrodialysis. This characterization workflow can inform manufacturing protocols, computational modeling, and failure mode analysis for next-generation BPMs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A Versatile Approach to Stabilize Liquid–Liquid Interfaces using Surfactant Self-Assembly

Stabilizing liquid–liquid interfaces, whether between miscible or immiscible liquids, is crucial for a wide range of applications, including energy storage, microreactors, and biomimetic structures. Here, in this study, a versatile approach for stabilizing the water-oil interface is presented using the morphological transitions that occur during the self-assembly of anionic, cationic, and nonionic surfactants mixed with fatty acid oils. The morphological transitions underlying this approach are characterized and extensively studied through small-angle X-ray scattering (SAXS), rheometry, and microscopy techniques. Dissipative particle dynamics (DPD) as a simulation tool is adopted to investigate these morphological transitions both in the equilibrium ternary system as well as in the dynamic condition of the water-oil interface. Such a versatile strategy holds promise for enhancing applications such as liquid-in-liquid 3D printing. Moreover, it has the potential to revolutionize a wide range of fields where stabilizing liquid–liquid interfaces not only offers unprecedented opportunities for fine-tuning nanostructural morphologies but also imparts interesting practical features to the resulting liquid shapes. These features include perfusion capabilities, self-healing, and porosity, which could have significant implications for various industries.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A versatile approach to stabilize liquid-liquid interfaces using surfactant self-assembly

Stabilizing liquid–liquid interfaces, whether between miscible or immiscible liquids, is crucial for a wide range of applications, including energy storage, microreactors, and biomimetic structures. In this study, a versatile approach for stabilizing the water-oil interface is presented using the morphological transitions that occur during the self-assembly of anionic, cationic, and nonionic surfactants mixed with fatty acid oils. The morphological transitions underlying this approach are characterized and extensively studied through small-angle X-ray scattering (SAXS), rheometry, and microscopy techniques. Dissipative particle dynamics (DPD) as a simulation tool is adopted to investigate these morphological transitions both in the equilibrium ternary system as well as in the dynamic condition of the water-oil interface. Such a versatile strategy holds promise for enhancing applications such as liquid-in-liquid 3D printing. Moreover, it has the potential to revolutionize a wide range of fields where stabilizing liquid–liquid interfaces not only offers unprecedented opportunities for fine-tuning nanostructural morphologies but also imparts interesting practical features to the resulting liquid shapes. These features include perfusion capabilities, self-healing, and porosity, which could have significant implications for various industries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Impact Ice Adhesion at NASA Glenn: Current Experimental Methods and Supporting Measurements

When examining the literature on the adhesion strength of impact ice, there have been a wide range of methodologies tried to measure the required stresses to induce interfacial delamination. Utilizing the Icing Research Tunnel at the NASA Glenn Research Center to generate the impact ice required for this work, several different mechanical tests have been and are being developed to determine the stresses along the interface between ice and coupon. This set of tests includes the technical mature modified lap joint test which has been used to conduct ice adhesion studies through a wide sweep of icing conditions. To conduct in situ ice adhesion measurements inside of the Icing Research Tunnel, several new experiments are currently being developed to make ice adhesion measurements during and immediately after ice accretion. In addition to these experimental methods, several supporting measurement techniques have been developed to allow for a better understanding on the influence of icing cloud conditions on the mechanical behavior of impact ice. Digital image correlation has been successfully implemented to augment the data generated by the modified lap joint test with full field surface displacement and strain measurements which allow for insight into the deformation processes present during a test. Both optical microscopy of impact ice samples along with ice replication techniques have been used to study the grain structure of the impact ice. This has led to a deeper understanding of the results from the modified lap joint method and how the structure of impact ice changes as it is accreted during an icing spray. The freezing process of impact ice generated by supercooled liquid water is not a volume conserving process, which leads to the presence of residual strains along the interface between ice and substrate. These strains have been observed using both a simplified flat geometry and a representative airfoil. The data gathered by these experimental adhesion methods and supporting measurements allows for a comprehensive understanding on the behavior of impact ice which will be critical to the development of future ice shedding models.

Ice Adhesion↗
NASA NTRSDate not supplied

Impact Ice Adhesion at NASA Glenn: Current Experimental Methods and Supporting Measurements

When examining the literature on the adhesion strength of impact ice, there have been a wide range of methodologies tried to measure the required stresses to induce interfacial delamination. Utilizing the Icing Research Tunnel at the NASA Glenn Research Center to generate the impact ice required for this work, several different mechanical tests have been and are being developed to determine the stresses along the interface between ice and coupon. This set of tests includes the technical mature modified lap joint test which has been used to conduct ice adhesion studies through a wide sweep of icing conditions. To conduct in situ ice adhesion measurements inside of the Icing Research Tunnel, several new experiments are currently being developed to make ice adhesion measurements during and immediately after ice accretion. In addition to these experimental methods, several supporting measurement techniques have been developed to allow for a better understanding on the influence of icing cloud conditions on the mechanical behavior of impact ice. Digital image correlation has been successfully implemented to augment the data generated by the modified lap joint test with full field surface displacement and strain measurements which allow for insight into the deformation processes present during a test. Both optical microscopy of impact ice samples along with ice replication techniques have been used to study the grain structure of the impact ice. This has led to a deeper understanding of the results from the modified lap join method and how the structure of impact ice changes as it is accreted during an icing spray. The freezing process of impact ice generated by supercooled liquid water is not a volume conserving process, which leads to the presence of residual strains along the interface between ice and substrate. These strains have been observed using both a simplified flat geometry and a representative airfoil. The data gathered by these experimental adhesion methods and supporting measurements allows for a compressive understanding on the behavior of impact ice which will be critical to the development of future ice shedding models.

Ice Adhesion↗
DOE OSTI2026

Scalable Hot-Water-Repellent Superhydrophobicity via Thermal Insulation

Superhydrophobic surfaces, which rely on a combination of surface texture and chemistry, often lose their repellent behavior when contacted by hot water (≳40 °C) because the impinging hot water replaces the requisite air layer within the surface texture via evaporation and recondensation. In contrast to previous approaches targeting this condensation-induced failure mode that rely on intricately tailored surface structures or complex chemical treatments, we present a scalable approach based on thermal design: the multilayered insulated superhydrophobic (MISH) coating mitigates condensation-induced failure by preventing heat transfer. Superhydrophobicity is retained at impinging water temperatures up to 90 °C, with durability demonstrated via long-term (>1 million impacts) droplet impingement experiments. We explain the mechanism for this approach with a detailed thermal model; the model reveals that the underlying physical behavior is self-similar across coating parameters and impinging fluid temperatures. Finally, the MISH coating accommodates curved geometries and large surfaces, and it is over 4 orders of magnitude less expensive than cleanroomnanofabricated alternatives, indicating promise for practical use in the energy sector, chemical processing, and the food and medical industries.

coating materials↗
DOE OSTI2025

Structural Evolution and Stability of Rh/TiO 2 Catalysts under CO 2 Hydrogenation Conditions: Influence of the Initial Rh Structure

Characterizing catalyst stability by identifying the predominant mechanisms, timescales and driving forces of catalyst reconstruction under relevant reaction conditions is necessary for the design and commercialization of new catalysts. Here, in this paper, we study Rh/TiO 2 catalysts under CO 2 hydrogenation conditions (773 K, 75% H 2 , 25% CO 2 ) at high conversion and utilize reactivity studies along with ex-situ and in-situ spectroscopy and microscopy to characterize changes in catalyst activity and structure as a function of time on stream and the initial catalyst structure. This is a prototypical catalyst for CO 2 hydrogenation where Rh structure and Rh-TiO 2 interactions have been proposed to explain reactivity, selectivity (between CO and CH 4 formation) and catalyst stability. The influence of the initial Rh structure (varying from Rh single atoms to Rh nanoparticles), support stability, regeneration and pretreatment(s), and the chemical potential(s) of the reaction environment on reaction selectivity and catalyst stability were explored. The product selectivity between CO and CH 4 was determined to be dependent on the relative fraction of Rh single atoms and Rh nanoparticle-TiO 2 interfacial sites under reaction conditions, each exhibiting distinct stability under prolonged time on stream. Surprisingly, Rh single atoms exhibited stability for the duration of 90 h reactivity measurements, even at high Rh density (≥ 1.8 Rh atoms/nm 2 ) on the support, while Rh nanoparticles sintered under reaction conditions. As a result, all catalysts exhibited increasing selectivity to CO with increasing time on stream (> 10 h). We conclude the distribution of Rh structures evolved over time under reaction conditions through three distinct reconstruction mechanisms (Rh particle fragmentation, Ostwald ripening, and particle migration and coalescence) that occurred on varying timescales. Catalyst stability on the ~90 h time scale was ultimately controlled by the initial Rh structure.

25 ENERGY STORAGE↗
NASA NTRS2021

An Investigation of the Grain Size and Adhesion Strength of High-Speed Impact Ice

Ice accumulation on aircraft from supercooled water droplets (impact icing) can increase drag and decrease lift, leading to a decrease in fuel efficiency and a potential for unsafe situations. Anti-icing materials and coatings are of high interest to prevent aircraft icing. Because no anti-icing material suitable for in-flight situations has been realized, icing models aim to predict the accumulation and shape of the ice to understand its effects. In both cases, understanding the physical mechanism behind ice adhesion and shedding is necessary. A recent literature review has shown that the apparent ice adhesion strength to any specific material varies over several orders of magnitude across studies and test methods. One of the reasons for this high variance is likely to be the varying microstructure of the ice used for different studies. Although the microstructure of impact ice has been studied in the past, those conditions were not relevant to that of in-flight aircraft icing. The microstructure of the ice formed will determine both its bulk and surface properties, yet it has been overlooked in the ice adhesion community. Here, we use optical microscopy to study the non-uniform ice crystal grain size in impact ice accreted in NASA Glenn Research Center’s Icing Research Tunnel at various icing conditions. Similar to other environmental conditions studied in the literature, we show an increase in grain size at larger distances from the growth interface; however, the data shows substantially larger grains than what was expected from the prior literature. Ice accrued at lower temperatures has a smaller grain size at all distances from the growth interface. No change in grain size was noticed when varying only the wind speed. A correlational analysis shows that smaller grain sizes at the growth interface corresponded to an increase in the apparent ice adhesion strength when the adhesive failure was interfacial, but not when the failure was cohesive. These results may explain the overall trend in the literature of increasing apparent adhesion strength with decreasing temperature. Incorporating microstructure trends for various environmental conditions in icing models may increase the certainty in predicting ice adhesion strength and shedding, and will provide a better basis for comparison between adhesive tests on ice produced in different facilities and at different storage times.

• Ice Fabric↗