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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Synthesis and characterization of the dinuclear cobalt(III) complex: [(C 2 F 5 ) 3 Co(μ-F)] 2 2–

Here, reaction of the versatile tris(perfluoroethyl) cobalt(III) precursor [fac-(MeCN) 3 Co(C 2 F 5 ) 3 ] with [NMe 4 ]F and [PPh 4 ]Cl in THF formed the unexpected cobalt(III) bridging fluoride dimer ([(C 2 F 5 ) 3 Co(μ-F)] 2 2– . The new fluoro-organometallic cobalt(III) complex was characterized by NMR and UV-vis spectroscopies, X-ray crystallography, cyclic voltammetry, and by computational methods. In the strongly coordinating solvent MeCN, ([(C 2 F 5 ) 3 Co(μ-F)] 2 2– exhibits dynamic processes on the NMR timescale which are consistent with solvent coordination. However, in the weakly coordinating solvent CH 2 Cl 2 , a more static structure is observed suggesting that the dimer retains its structure in solution state. An electrochemical analysis of ([(C 2 F 5 ) 3 Co(μ-F)] 2 2– was performed, and the data are compared to previously reported cobalt(III) perfluoroethyl complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Overcoming the disconnect between energy system and climate modeling

Energy system models underpin decisions by energy system planners and operators. Energy system modeling faces a transformation: accounting for changing meteorological conditions imposed by climate change. To enable that transformation, a community of practice in energy-climate modeling has started to form that aims to better integrate energy system models with weather and climate models. In this work, we evaluate the disconnects between the energy system and climate modeling communities, then lay out a research agenda to bridge those disconnects. In the near-term, we propose interdisciplinary activities for expediting uptake of future climate data in energy system modeling. In the long-term, we propose a transdisciplinary approach to enable development of (1) energy-system-tailored climate datasets for historical and future meteorological conditions and (2) energy system models that can effectively leverage those datasets. This agenda increases the odds of meeting ambitious climate mitigation goals by systematically capturing and mitigating climate risk in energy sector decision-making.

17 WIND ENERGY↗
DOE OSTI2022

A three-dimensional pore-scale model for redox flow battery electrode design analysis

A three-dimensional (3-D) pore-scale model has been developed to construct multiscale fibrous electrodes for redox flow batteries (RFB). New designs, such as biporous electrodes modify electrode structures by creating secondary pores on single carbon fiber to reduce internal battery resistance. Existing pore-scale models only resolve electrodes to the single carbon fiber scale and cannot incorporate recent multiscale electrode designs into numerical models. Our new model aims to bridge this gap and provide a tool to rapidly screen new electrode configurations. Two multiscale electrodes, laser-perforated and biporous electrodes, were investigated at varying operation conditions with the proposed 3-D pore-scale models. The laser-perforated electrode exhibits a reduced pressure drop, but follows the same permeability correlation compared to the corresponding pristine electrode. For the biporous electrode, the added specific surface area and faster reaction kinetics from the secondary pores are the most influential factors leading to improved battery efficiency. However, operating the biporous electrode in limiting current density conditions should be avoided due to the decreased mass transfer efficiency and a more significant voltage loss. Finally, we believe that our 3-D pore-scale model can accelerate the flow battery electrode design process and provide new insights into electrode geometry optimizations.

25 ENERGY STORAGE↗
DOE OSTI2024

Characterization of ultrafast-laser ablation of micro-structures in Li-ion battery anode and cathode materials: Morphology, rate, and efficiency

Characterization of the rate and quality of ultrafast-laser ablation of Li-ion battery (LIB) electrode materials is presented for a collection of common and next-generation electrodes. Laser ablated micro-structures on the surface of LIB electrodes have been shown to provide dramatic enhancement of high-rate capability and electrode wetting. However, industrial adoption is hampered by a lack of data enabling informed choice of laser parameters and predicting process throughput. Here this work bridges this gap by providing characterization of the ablation process at more laser parameters (laser fluence and number of pulses used) than are currently available in the literature. Further, we expand on previous graphite and lithium iron phosphate (LFP) ablation work by extending ablation characterization to new LIB materials, providing high data resolution and adopting new characterization metrics which are relevant for industrial application of this technology. Ablated pores are characterized by their ablated depth, volume, and how the depth and volume ablation rate changes as a function of pore depth. Finally, we provide a detailed characterization of the morphology of laser ablated micro-structures which informs how material and laser parameters affect the quality of laser-processed electrodes.

25 ENERGY STORAGE↗
DOE OSTI2025

Under-capacitated and over-powered? Rural austerity and asymmetrical negotiating relationships in US wind energy development

Though rural local governments are central actors in renewable energy development, local governments in the United States (US) remain systematically under-funded. This paper considers what the manifestations of austerity in local governments broadly and rural localities specifically mean for renewable energy development and for energy transitions. Drawing on a survey of 262 elected county officials with experience with wind energy in eight US states, this paper asks how local officials understand the impacts of wind development, how local governments are involved in wind energy negotiations, how the resources and expertise needed to navigate negotiations are distributed among counties, and analyze the relationship between local capacity, access to resources, and involvement in negotiations. We find that local officials express simultaneously affective and material concerns with the impacts of wind development and see negotiations with the developer as central to realizing local benefits. However, the expertise and staffing needed to negotiate with developers is less accessible to poorer or sparsely populated counties, and counties with lower overall revenues have narrower scopes of negotiation, and counties incre. Our results suggest that uneven rural capacity heightens an already asymmetrical relationship between localities and developers. In analyzing how infrastructure developments are shaped by relationships between localities and developers that are conditioned by austerity and (under)capacity, this paper contributes to and bridges scholarly discussions on rural austerity, rescaling, and renewable energy transitions. These results challenge conventional wisdoms around centralizing energy siting processes, contextualize popular and academic debates about opposition to renewable energy development, and highlight the need for rural reinvestment to realize meaningfully participatory energy developments.

Elmallah, Salma↗
DOE OSTI2025

Corrigendum to ‘Under-capacitated and over-powered? Rural austerity and asymmetrical negotiating relationships in US wind energy development’ [J. Rural Stud., 119 (2025) 1–14]

The authors regret that there is an incomplete sentence in the abstract of the article, and request that the portion “, and counties incre” be deleted from the abstract (found at the end of the sentence beginning with “However …”). The portion to be deleted is underlined and bolded below. The authors would like to apologise for any inconvenience caused. Current abstract: Though rural local governments are central actors in renewable energy development, local governments in the United States (US) remain systematically under-funded. This paper considers what the manifestations of austerity in local governments broadly and rural localities specifically mean for renewable energy development and for energy transitions. Drawing on a survey of 262 elected county officials with experience with wind energy in eight US states, this paper asks how local officials understand the impacts of wind development, how local governments are involved in wind energy negotiations, how the resources and expertise needed to navigate negotiations are distributed among counties, and analyze the relationship between local capacity, access to resources, and involvement in negotiations. We find that local officials express simultaneously affective and material concerns with the impacts of wind development and see negotiations with the developer as central to realizing local benefits. However, the expertise and staffing needed to negotiate with developers is less accessible to poorer or sparsely populated counties, and counties with lower overall revenues have narrower scopes of negotiation, and counties incre. Our results suggest that uneven rural capacity heightens an already asymmetrical relationship between localities and developers. In analyzing how infrastructure developments are shaped by relationships between localities and developers that are conditioned by austerity and (under)capacity, this paper contributes to and bridges scholarly discussions on rural austerity, rescaling, and renewable energy transitions. These results challenge conventional wisdoms around centralizing energy siting processes, contextualize popular and academic debates about opposition to renewable energy development, and highlight the need for rural reinvestment to realize meaningfully participatory energy developments.

Elmallah, Salma↗
DOE OSTI2023

In situ high-temperature 3D imaging of the damage evolution in a SiC nuclear fuel cladding material

Silicon carbide (SiC)-based nuclear fission fuel rod cladding has been considered as one of the possible designs for accident tolerant fuels. It is in the form of a SiC fibre reinforced SiC matrix composite tube (SiC f -SiC m ) with monolithic SiC outer and/or inner coating layers. This study focuses on the deformation and fracture processes in this material using in situ X-ray micro-computed tomography (XCT) at room temperature (RT) and 1200 °C in an inert gas environment in a C-ring compression loading configuration. Prior to testing, local properties and residual stresses were characterised using nanoindentation and Raman spectroscopy since they can impact the mechanical behaviour of the material. The 3D strain distribution, crack formation and propagation processes including the toughening mechanisms (e.g., crack deflection, micro-cracking, crack bridging and bifurcation) are investigated in the coating and underlying composites at RT and 1200 °C. There is no particular sequence which toughening mechanism occurs first – this is very different from the conventional toughening theory in ceramic-matrix composites under uniaxial tension loading. Indeed, no evidence of fibre pull-out or fibre fracture was observed in this SiC f -SiC m nuclear cladding material in the current C-ring compression configuration. The correlation between local measurements and bulk mechanical behaviour are discussed.

3D imaging↗
DOE OSTI2025

Scalable phononic metamaterials: Tunable bandgap design and multi-scale experimental validation

Phononic metamaterials offer unprecedented control over wave propagation, making them essential for applications such as vibration isolation, waveguiding, and acoustic filtering. However, achieving scalable and precisely tunable bandgap properties across different length scales remains challenging. This study presents a user-friendly design framework for phononic metamaterials, enabling ultra-wide bandgap tunability (B/ω c ratios up to 172 %) across multiple frequency ranges and scales. Using finite element simulations of a Yablonovite-inspired unit cell, we establish a comprehensive parametric design space that illustrates how geometric parameters, such as sphere size and beam diameter, controls bandgap width and frequency. The scalability and robustness of the framework are validated through experimental testing on additively manufactured structures at both macro (10 mm) and micro (80 µm) scales, fabricated using Stereolithography and Two-Photon Polymerization. Transmission loss measurements, conducted with piezoelectric transducers and laser vibrometry, closely match simulations in the kHz and MHz frequency ranges, confirming the reliability and consistency of the bandgap behavior across scales. This work bridges theory and experiments at multiple scales, offering a practical methodology for the rapid design of phononic metamaterials and expanding their potential for diverse applications across a broad range of frequencies.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Machine learning-enabled multiscale modeling of mechanical deformation of aluminum and Al-SiC nanocomposites

A machine learning-enabled multiscale framework is developed for modeling the mechanical response of both pure metal and nanoparticle-reinforced metal matrix nanocomposites (MMNCs). Using aluminum–silicon carbide (Al-SiC) as an example MMNC, atomistic simulations reveal three distinct deformation mechanisms (i.e., defect-free, dislocation-based, and interface separation) governed by the interfaces between the Al matrix and SiC nanoparticles. As compared with single crystal Al, the lattice undergoes a more abrupt failure once the dislocation network becomes extensive and void nucleation initiates, whereas in Al-SiC, nanoparticle interfaces enable a more gradual progression of damage. These mechanisms are captured through a combined classification-regression neural network surrogate model that bridges atomic-scale insights with continuum-scale finite element analysis. Machine learning-enabled multiscale modeling of pure Al accurately predicted strain localization and confirmed by in-situ scanning electron microscopic tensile testing on perforated Al specimens. This study underscores the promise of integrating physics-informed machine learning with hierarchical modeling to capture the interface dominated phenomena and guide the design of advanced MMNCs.

Al-SiC↗
DOE OSTI2021

Additive manufacturing and applications of nanomaterial-based sensors

Nanoscale materials possess distinct physical and chemical attributes including size-dependent properties, quantum confinement, high surface-to-volume ratio, and superior catalytic activity. These unique qualities enable sensors with high sensitivity, robustness, and fast time response. As the emergence of the Internet of Things (IoT) demands increased production of sensors, it also provides an impetus for concentrated nanomaterial-based sensor research. Meanwhile, additive manufacturing (AM) of nanomaterial-based sensors is critical to bridge the gap between one-off, lab-scale fabrication and cost-effective, industrial-scale production with high reproducibility. By applying the design flexibility and cost savings of AM techniques, a new generation of nanomaterial-based sensing platforms can be integrated with IoT devices in the consumer space. Furthermore, emergent research in human-machine interfaces, food safety, and point-of-care diagnostics will be expedited by the development of sensors that can be printed with irregular form factors. In this Review, the relative strengths and weaknesses of printed sensor systems based on zero-, one-, and two-dimensional nanomaterials are discussed. In addition, sensors enabled by printable soft nanomaterials, heterostructures, and nanocomposites are surveyed due to their synergistic advantages for wearable healthcare monitoring and soft robotics. Lastly, a roadmap for the next decade of research on this topic is provided.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Correlative analysis of structure and chemistry of Li x FePO 4 platelets using 4D-STEM and X-ray ptychography

Lithium iron phosphate (Li x FePO 4 ), a cathode material used in rechargeable Li-ion batteries, phase separates upon de/lithiation under equilibrium. The interfacial structure and chemistry within these cathode materials affects Li-ion transport, and therefore battery performance. Here, correlative imaging of Li x FePO 4 was performed using four-dimensional scanning transmission electron microscopy (4D-STEM), scanning transmission X-ray microscopy (STXM), and X-ray ptychography in order to analyze the local structure and chemistry of the same particle set. Over 50,000 diffraction patterns from 10 particles provided measurements of both structure and chemistry at a nanoscale spatial resolution (16.6–49.5 nm) over wide (several micron) fields-of-view with statistical robustness. Li x FePO 4 particles at varying stages of delithiation were measured to examine the evolution of structure and chemistry as a function of delithiation. In lithiated and delithiated particles, local variations were observed in the degree of lithiation even while local lattice structures remained comparatively constant, and calculation of linear coefficients of chemical expansion suggest pinning of the lattice structures in these populations. Partially delithiated particles displayed broadly core–shell-like structures, however, with highly variable behavior both locally and per individual particle that exhibited distinctive intermediate regions at the interface between phases, and pockets within the lithiated core that correspond to FePO 4 in structure and chemistry. The results provide insight into the Li x FePO 4 system, subtleties in the scope and applicability of Vegard’s law (linear lattice parameter-composition behavior) under local versus global measurements, and demonstrate a powerful new combination of experimental and analytical modalities for bridging the crucial gap between local and statistical characterization.

25 ENERGY STORAGE↗
DOE OSTI2021

Aqueous ion partitioning in Nafion: Applicability of Manning's counter-ion condensation theory

Nafion is a well-studied polymer of significant interest as a fuel cell membrane due to rapid transport of protons, which is often ascribed, at least in part, to its phase-separated morphology. The literature detailing ion sorption and transport in Nafion diverges considerably from that of water purification membranes, with contrasting analyses and models. To help bridge these gaps and facilitate comparisons of membranes with various structures, this study presents measurements of ion activity coefficients and sorption in Nafion 117 equilibrated with aqueous solutions of NaCl, MgCl 2 , and Na 2 SO 4 , which are relevant to water purification. The experimental data are compared to a theoretical framework based on Manning's counter-ion condensation theory and Donnan theory. Good agreement between the model and data is observed for NaCl and MgCl 2 , using no adjustable parameters. However, the model significantly underpredicts Na 2 SO 4 solubility, which is attributed to ion pairing effects. Furthermore, the results highlight the general applicability of counter-ion condensation theory to highly charged polymers, including those exhibiting nanoscale ordering, while revealing fundamental limitations related to ion pairing.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Unexpected Hydroxide Ion Structure and Properties at Low Hydration

Understanding the behavior of hydroxide ions in aqueous and non-aqueous media is fundamental to many chemical, biological, and electrochemical processes. Research has primarily focused on a single fully solvated hydroxide ion, either as an isolated cluster or in bulk. This work presents the first computational study to consider hydroxide under low hydration levels in detail, where the anion may not be fully solvated. Under such conditions, we find that the anions are predominantly present as unique water-bridged hydroxide pair complexes, distinct from previously reported structures under fully hydrated conditions. Although similar hydroxide pair structures were previously reported, we analyze these structures for the first time in the disordered liquid state where they are found to be unusually stable in the presence of bulky quaternary ammonium cations. Our findings help explain the unusual diffusion behavior as well as the higher reactivity of hydroxide anions observed under low hydration conditions.

computational studies↗
DOE OSTI2020

Fracture resistance of hierarchical Cu–Mo nanocomposite thin films

We report the fracture behavior of high-temperature co-sputtered Cu/Mo nanocomposite thin films was investigated through in situ 3-point bend testing of pre-notched microbeams in SEM. The as-synthesized nanocomposites present hierarchical nano/microstructures composed of a matrix of phase-separated Cu–Mo with nanoscale ligaments dispersed with sub-micron scale Cu-rich islands containing Mo nano-precipitates. Results show a significant crack growth resistance in the hierarchical nanocomposite, several times higher than that measured in Cu/Mo nanoscale multilayers. Based on electron microscopy characterization, three mechanisms of crack growth resistance in the hierarchical structures are proposed: crack bridging by the Cu-rich layer, crack deflection via shear along the Cu/Mo interface, and multiple cracking. This work demonstrates an approach to increase toughness in high strength nanocomposites through interface micro-structure design.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A multi-length-scale investigation of the applicability of ductility laws for annealed and work-hardened copper

Small-scale mechanical testing provides unique advantages over conventional testing in investigating the mechanical response of nuclear materials. While small-scale testing enables accelerated materials research, it raises the question of comparability to large-scale properties for engineering design considerations. Among different mechanical properties for structural design considerations such as yield and ultimate tensile stress, ductility is of critical importance with respect to structural component health. The effectiveness of using small-scale mechanical testing for probing these mechanical properties is dictated by understanding how the mechanical responses translate from the microscale to the engineering scale. Therefore, a better understanding of size scaling effects via gathering and analysis of experimental data is required to bridge length-scales. Further, this work builds upon previous reports to provide statistical data on how mechanical response changes as the size of the specimens are reduced from conventional sizes. One hundred twenty mesoscale tensile coupons of oxygen-free high thermal conductivity (OFHC) copper in work-hardened and annealed state have been manufactured using micro-wire electrical discharge machining (EDM) and tested under uniaxial tension. The mesoscale specimens have dimensions dictated by pre-selected geometric ratios (i.e., gauge section length over the square root of the cross-section area) with gauge length dimensions of 3 mm (or less) and sub-millimeter gauge widths and thicknesses. The mesoscale responses were compared to bulkscale properties to reveal the effect of specimen size on the mechanical response as a function of grain size and material state for a single phase face-centered cubic metal.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Towards the applications of mechanophore incorporated feedstocks for additive manufacturing

The ability to additively-manufacture mechanically responsive molecules, known as mechanophores (MPs), that are incorporated into polymer feedstocks provides opportunities for self-healing, real-time damage detection, and improvements in quality assurance and control capabilities to several industries (wind energy technology, building and construction, etc.) who are adopting additive manufacturing (AM). However, before the applications are realized and industrially adopted, further research and development regarding MP-incorporated AM feedstock availability, production scale-up, and processability and printability is needed. Here, the goal of this review is to bridge the gap between the bench top and real world applications of AM of MPs by identifying high impact application spaces and highlighting the challenges that need to be overcome for widespread adoption. The state-of-the-art of AM of MP-incorporated feedstocks is reviewed, followed by a discussion of potential future applications, current challenges, and research areas that work toward commercialization of AM of MP-incorporated feedstocks.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Neural network interatomic potential-driven analysis of phase stability in Ti–V alloys at the atomistic scale

The evolution of the ω phase in titanium–vanadium (Ti–V) alloys is critical for their mechanical properties, particularly in aerospace and biomedical applications. Here, this study employs a Rapid Artificial Neural Network (RANN) potential to model the ω phase evolution at the atomistic level, demonstrating a high degree of consistency with experimental observations, unlike the Modified Embedded Atom Method (MEAM), which fails to capture this phase transformation accurately. RANN simulations replicate key phenomena such as the nucleation of α precipitates at ω/β interfaces and accurate lattice orientations, enhancing our understanding of phase stability and transformation kinetics. The findings affirm that RANN potentials can significantly improve the prediction accuracy of complex material behaviors, offering a powerful tool for designing advanced materials with tailored properties such as solute effect in various stacking fault energies. This approach not only bridges the gap between theoretical predictions and empirical data but also sets a new direction for future research in materials science, emphasizing the integration of machine learning techniques in the development and optimization of new alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Significant phase-space-driven thermal transport suppression in BC8 silicon

The BC8 silicon allotrope has a lattice thermal conductivity 1–2 orders of magnitude lower than that of diamond-cubic silicon. In the current work, the phonon density of states, phonon dispersion, and lattice thermal conductivity are investigated by inelastic neutron scattering measurements and first-principles calculations. Flat phonon bands are found to play a critical role in the reduction of lattice thermal conductivity in BC8–Si. Such bands in the low-energy range enhance the phonon scattering between acoustic and low-energy optical phonons, while bands in the intermediate-energy range act as a scattering bridge between the high- and low-energy optical phonons. Further, they significantly enlarge the phonon-phonon scattering phase space and reduces the lattice thermal conductivity in this novel silicon allotrope. This work provides insights into the significant reduction of the lattice thermal conductivity in BC8–Si, thus expanding the understanding of novel silicon allotropes and their development for electronic devices.

36 MATERIALS SCIENCE↗