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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Cathode pre-lithiation/sodiation for next-generation batteries

Electrochemical energy storage is playing a pivotal role in the global pursuit of a clean and sustainable energy future. Lithium-ion batteries (LIBs) are the state-of-the-art technology, but future energy requirements demand higher energy densities and a more diverse battery landscape to meet a wide variety of applications. Unfortunately, many next-generation LIB chemistries and beyond-LIB technologies suffer from large first-cycle irreversible capacity caused by active ion loss. The field of pre-lithiation/sodiation has recently emerged as researchers attempt to mitigate active ion loss and boost the energy density of next-generation LIBs and sodium-ion batteries. Herein, we highlight recent advances in cathode pre-lithiation/sodiation using sacrificial additives and pre-lithiation/sodiation of cathode active materials.

25 ENERGY STORAGE↗
DOE OSTI2023

Laser-Induced Trapping of Metastable Amorphous AlO x /C (2.5 < x ≤ 3.5) Nanocomposites: Implications for Use as Solid Phase Gas Generators

The synthesis of kinetically "frozen" metastable nanostructures remains elusive. This limitation has severely restricted the current paradigms in materials discovery. We overcame this challenge by phase-stabilizing unusually hyperoxidized and metastable amorphous aluminum oxide (a-AlO x ; 2.5 < x ≤ 3.5) nanostructures. Specifically, we employed laser ablation synthesis in solution (LASiS) as a one-pot nonequilibrium technique to achieve this pivotal advancement. Structural and compositional characterizations of the as-synthesized material reveal highly disordered a-AlO x nanoparticles that are remarkably stabilized by interfacial monolayers of ordered carbon atoms. Both structure and chemical composition were confirmed with disparate characterization methods at different length scales. The nanoparticles of sizes less than10 nm were stable even at elevated temperatures. Only at temperatures higher than 750 °C do the a-AlO x structures undergo a solid-solid phase transition that culminates in the formation of stable α-Al 2 O 3 while releasing excess trapped gases. In conclusion, such disruptive materials can find applications in emerging technologies seeking metastable phase-change materials for solid phase gas generators, batteries, neuromorphic computing, and energetic additives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Atomic force microscopy: Emerging illuminated and operando techniques for solar fuel research

Integrated photoelectrochemical devices rely on the synergy between components to efficiently generate sustainable fuels from sunlight. The micro- and/or nanoscale characteristics of the components and their interfaces often control critical processes of the device, such as charge-carrier generation, electron and ion transport, surface potentials, and electrocatalysis. Understanding the spatial properties and structure–property relationships of these components can provide insight into designing scalable and efficient solar fuel components and systems. These processes can be probed ex situ or in situ with nanometer-scale spatial resolution using emerging scanning-probe techniques based on atomic force microscopy (AFM). In this Perspective, we summarize recent developments of AFM-based techniques relevant to solar fuel research. We review recent progress in AFM for (1) steady-state and dynamic light-induced surface photovoltage measurements; (2) nanoelectrical conductive measurements to resolve charge-carrier heterogeneity and junction energetics; (3) operando investigations of morphological changes, as well as surface electrochemical potentials, currents, and photovoltages in liquids. Opportunities for research covered here include: (1) control of ambient conditions for performing AFM measurements; (2) in situ visualization of corrosion and morphological evolution of electrodes; (3) operando AFM techniques to allow nanoscale mapping of local catalytic activities and photo-induced currents and potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Sandwich-structured paper composite with water and oil resistance for food packaging and tableware applications

The growing environmental challenges posed by plastic waste from disposable tableware highlight the urgent need for sustainable alternatives. Traditional plastics decompose over centuries, generating microplastics that threaten ecosystems and human health. While lignin has emerged as a promising material for plastic replacement, its inherent dark brown color and processing challenges in paper-based products have limited its application, particularly in food-contact materials. Here, to address these limitations, we have developed biodegradable sandwich-structured paper composites comprising parchment paper as surface layers and a lignin-polymer core with polyvinyl alcohol (PVA) and polylactic acid (PLA). This innovative structure eliminates the need for binders, minimizing potential food contamination, and enables direct application as packaging or molded tableware. Lignin micro- and nano-particles (LMNP) enhances durability and provides natural water and oil resistance without harmful additives, such as per- and polyfluoroalkyl substances (PFAS), while PVA and PLA improve the composite's tenacity. The resulting material, composed of 65 wt% lignin, demonstrates excellent water and oil resistance, with no penetration exceeding 1 h, and exhibits enhanced tensile strength (45 MPa), making it a viable and eco-friendly alternative for disposable tableware.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optimization-based modeling and economic comparison of membrane distillation configurations for application in shale gas produced water treatment

Membrane distillation (MD) is an emerging membrane technology with great potential for treatment of hypersaline wastewater generated by unconventional (shale) oil and gas reservoirs. However, the low energy efficiency of this technology makes the operating cost of MD systems relatively high, especially in the absence of waste heat. There are several MD configurations with inherent advantages and disadvantages and varying performance. As such, there is a need for thermo-economic optimization of MD systems in a systematic manner to assess their economic performance. Here we present an optimization framework to model and compare the performance of six MD configurations (DCMD, AGMD, PGMD, CGMD, SGMD, and VMD) in continuous recirculation mode for treatment of hypersaline wastewater. The optimization results show that AGMD with small gap size operated at low stream Reynolds number outperforms all other configurations with treatment cost of 4.57 US $/m 3 of feed. However, restricting the system design to more practically relevant operating conditions, such as higher Reynolds number and larger gap size, diminishes the cost superiority of AGMD over other configurations. We also observed that treatment cost using PGMD configuration approaches those of CGMD and DCMD, particularly when modules with small gaps are used.

42 ENGINEERING↗
DOE OSTI2022

Quantum Imaging of Magnetic Phase Transitions and Spin Fluctuations in Intrinsic Magnetic Topological Nanoflakes

Topological materials featuring exotic band structures, unconventional current flow patterns, and emergent organizing principles offer attractive platforms for the development of next-generation transformative quantum electronic technologies. The family of MnBi 2 T e4 (Bi 2 Te 3 )n materials is naturally relevant in this context due to their nontrivial band topology, tunable magnetism, and recently discovered extraordinary quantum transport behaviors. Despite numerous pioneering studies, to date, the local magnetic properties of MnBi 2 Te 4 (Bi 2 Te 3 )n remain an open question, hindering a comprehensive understanding of their fundamental material properties. Exploiting nitrogen-vacancy (NV) centers in diamond, we report nanoscale quantum imaging of magnetic phase transitions and spin fluctuations in exfoliated MnBi 2 Te 4 (Bi 2 Te 3 )n flakes, revealing the underlying spin transport physics and magnetic domains at the nanoscale. Furthermore, our results highlight the unique advantage of NV centers in exploring the magnetic properties of emergent quantum materials, opening new opportunities for investigating the interplay between topology and magnetism.

Antiferromagnetic materials↗
DOE OSTI2024

Micro-patterning of spintronic emitters enables ultrabroadband structured terahertz radiation

Abstract Structured light beams offer promising properties for a variety of applications, but the generation of broadband structured light remains a challenge. New opportunities are emerging in the terahertz frequency range owing to recent progress in light-driven ultrafast vectorial currents through spatially patterning spintronic and optoelectronic systems.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Dissipation of electron-beam-driven plasma wakes

Metre-scale plasma wakefield accelerators have imparted energy gain approaching 10 gigaelectronvolts to single nano-Coulomb electron bunches. To reach useful average currents, however, the enormous energy density that the driver deposits into the wake must be removed efficiently between shots. Yet mechanisms by which wakes dissipate their energy into surrounding plasma remain poorly understood. Here, we report picosecond-time-resolved, grazing-angle optical shadowgraphic measurements and large-scale particle-in-cell simulations of ion channels emerging from broken wakes that electron bunches from the SLAC linac generate in tenuous lithium plasma. Measurements show the channel boundary expands radially at 1 million metres-per-second for over a nanosecond. Simulations show that ions and electrons that the original wake propels outward, carrying 90 percent of its energy, drive this expansion by impact-ionizing surrounding neutral lithium. The results provide a basis for understanding global thermodynamics of multi-GeV plasma accelerators, which underlie their viability for applications demanding high average beam current.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Anionic redox induced anomalous structural transition in Ni-rich cathodes

Ni-rich cathodes have emerged as one of the most promising candidates for power next generation electric vehicles. However, they often suffer from poor capacity retention when charged to high voltages and the origin of this degradation remains elusive. Here, by using high throughput operando neutron diffraction, a universal four-stage structural evolution of Ni-rich cathodes is revealed during the initial cycle for the first time. Particularly, we discovered a universal structural transition in Ni-rich cathodes at ~75% delithiation irrespective of Ni or substituent contents. This transition is hallmarked by the anomalous increase of average TM–O bond lengths, contradicting the conventional wisdom that TM–O bond lengths decrease during charge (oxidation). This anomaly is induced by the direct oxidation of lattice oxygen ions, which is rooted in the drastic decrease of oxygen-to-TM charge transfer gap at high degrees of delithiation. The onset of this anomalous transition matches very well with the onset of oxygen gas release and severe decline of capacity retention in Ni-rich cathodes, suggesting that this bulk structural transition plays an indispensable role in the degradation process. These findings shed light on the elusive degradation mechanism of Ni-rich cathodes, providing valuable clues to stabilize oxidized oxygen ions for stable cycling of layered oxide cathodes at high voltages.

25 ENERGY STORAGE↗
DOE OSTI2024

Solid–liquid separation of lignocellulosic sugars from biomass by rotating ceramic disc filtration

In many biomass conversion processes, the separation of cellulosic sugars from residual, lignin-rich solids is a critical step, and achieving high recovery yields of sugars by conventional tangential crossflow and vacuum filtration is challenged by the presence of biomass solids, which rapidly foul filters, resulting in decreased throughput. Considering the performance limitations of traditional filtration methods, dynamic filtration, which generates high shear at the membrane surface to decrease fouling, is emerging as a viable alternative for demanding solid–liquid separations. For high solids separations, there is little available information regarding the performance, limitations, and energy consumption of dynamic filtration. To that end, here we characterized the performance of a dynamic filtration module, specifically a rotating ceramic disc (RCD) filter, for the aseptic recovery of cellulosic sugars from biomass solids following pretreatment and enzymatic hydrolysis. We show how RCD rotational velocity and percent biomass solids impact the filter throughput. Additionally, we used computational fluid dynamics (CFD) simulations to estimate the shear rate at the membrane surface and to visualize hydrodynamic profiles within the module. With the combined CFD simulations and experimental results, we estimated the energy demand and operating expenses for a viable dynamic filtration system operating with a lignocellulosic feed slurry. Our results indicate that an RCD filter can achieve ≥95% recovery of sugars and produce a retentate slurry containing 12 wt% insoluble solids with low energy consumption (a 2.2-fold improvement over cross-flow filtration) and low operating costs ($\$$0.06 per kg sugars). These results show a viable path towards operationally reliable, energy efficient, and cost-effective separations of sterilized cellulosic sugars from biomass solids and highlight the potential of dynamic filtration systems for challenging solid–liquid separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Ultrashort XUV pulse absorption spectroscopy of partially oxidized cobalt nanoparticles

High-order harmonic generation (HHG) based transient extreme ultraviolet (XUV) absorption spectroscopy is an emerging technique to trace photoinduced charge carrier dynamics in condensed phase materials with femtosecond and even attosecond temporal resolution and elemental specificity. However, its application to nanoparticulate samples that are relevant, for example, for novel photocatalytic light harvesting concepts, has been limited. This is in part due to the challenge to produce residual-free samples on ultrathin, XUV-transparent substrates as well as a widespread understanding that sparsely distributed nanoparticles do not provide sufficient contrast for XUV absorption measurements. Here, we present static XUV absorption spectra of partially oxidized Co nanowire-structures with diameters of approximately 4.5 nm and lengths between 10 and 40 nm, recorded with an ultrashort pulse HHG light source. Nanoparticles are synthesized by the agglomeration of Co atoms inside superfluid helium droplets, followed by surface deposition and oxidation in ambient air. The method is uniquely suited for residual-free synthesis of transition metal nanowires and their deposition on ultrathin substrates. Analysis by high-resolution transmission electron microscopy reveals the formation of CoO nanowires with regions of unoxidized Co in their interior. The nanoparticle samples are investigated in an HHG-driven ultrafast XUV absorption setup. Despite the low surface coverage of only 23%, the recorded spectrum exhibits a distinct absorption feature at the Co M 2,3 (2p) edge near 60 eV with a peak height of about 40 mOD. Finally, the results support the feasibility of table-top ultrafast transient XUV absorption studies of photoinduced dynamics in transition metal oxide nanoparticles with sub-monolayer surface coverage.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

A novel approach to interface high-Q Fabry–Pérot resonators with photonic circuits

The unique benefits of Fabry–Pérot resonators as frequency-stable reference cavities and as an efficient interface between atoms and photons make them an indispensable resource for emerging photonic technologies. To bring these performance benefits to next-generation communications, computation, and time-keeping systems, it will be necessary to develop strategies to integrate compact Fabry–Pérot resonators with photonic integrated circuits. In this paper, we demonstrate a novel reflection cancellation circuit that utilizes a numerically optimized multi-port polarization-splitting grating coupler to efficiently interface high-finesse Fabry–Pérot resonators with a silicon photonic circuit. This circuit interface produces a spatial separation of the incident and reflected waves, as required for on-chip Pound–Drever–Hall frequency locking, while also suppressing unwanted back reflections from the Fabry–Pérot resonator. Using inverse design principles, we design and fabricate a polarization-splitting grating coupler that achieves 55% coupling efficiency. This design realizes an insertion loss of 5.8 dB for the circuit interface and more than 9 dB of back reflection suppression, and we demonstrate the versatility of this system by using it to interface several reflective off-chip devices.

Optics↗
DOE OSTI2026

Multiple shape coexistence near {sup 118}Sn: First 0+ 3 lifetime measurement

The intruder bands in Sn isotopes, built on the 2p-2h excitation across the Z = 50 proton shell gap, are well-known examples of shape coexistence near the neutron mid-shell region. Spectroscopic signatures for shape coexistence include enhanced E0 transitions between the 0+ band heads. However, the underlying shape coexistence and mixing has been unclear because lifetime information for the excited 0+ states was incomplete in 118Sn. We thus present here the first measurement of the 0+ 3 lifetime in 118Sn using the fast-timing technique following thermal-neutron capture. The observed enhancement in ρ2(E0;0+ 3 → 0+ 2 ) of 150(30) milliunits provides compelling indications for multiple shape coexistence in 118Sn. Additionally, three distinct shapes in 116,118,120Sn naturally emerged in theoretical calculations based on the quantum-number-projected generator coordinate method employing a relativistic energy density functional.

Wu, F.↗
DOE OSTI2023

Neutral Silicon-Vacancy Centers in Diamond via Photoactivated Itinerant Carriers

Neutral silicon-vacancy (Si-V 0 ) centers in diamond are promising candidates for quantum network applications because of their exceptional optical properties and spin coherence. However, the stabilization of Si-V 0 centers requires careful Fermi-level engineering of the diamond host material, making further technological development challenging. Here, we show that Si-V 0 centers can be efficiently stabilized by photoactivated itinerant carriers. Even in this nonequilibrium configuration, the resulting Si-V 0 centers are stable enough to allow for resonant optical excitation and optically detected magnetic resonance. Furthermore, our results pave the way for on-demand generation of Si-V 0 centers as well as other emerging quantum defects in diamond.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

The Ristra Project: FY20/21 Milestone Report

The ASC Advanced Technology Development and Mitigation (ATDM) sub-program was established in 2014 to develop new simulation tools operating on exascale-class computers to serve NNSA (see Appendix B). Over the course of ATDM, LANL management have set a strategy for exascale-class application codes that follows two supportive and mutually risk-mitigating paths: evolution for established production integrated design codes (IDCs) – with a strong pedigree within the user community – based upon existing programming paradigms(MPI+X); and a new start ATDM project, Ristra, a high-risk/high-reward push for a next-generation multi-physics, multi-scale simulation toolkit based on emerging advanced programming systems(with an initial focus on data-flow task-based models exemplified by Legion). The role of Ristra as the high-risk/high-reward path for LANL’s codes was fully consistent with the goals of ATDM as described in Appendix B, in particular its emphasis on evolving ASC capabilities through novel computing programming models and computing technologies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A Hybrid Climate Modeling System Using AI-assisted Process Emulators

This white paper addresses Focus Area II. We advocate developing a hybrid modeling system to improve the understanding of decadal- and longer-scale predictability of high impact water cycle components. This hybrid model combines a partial differential equation (PDE)-based dynamic core with AI/ML based emulators to represent many of the computationally expensive processes in Earth’s climate models. The hybrid modeling system has the potential to exploit emerging graphics processing unit (GPU)-accelerated architectures and allows for the generation of large ensemble (~1000’s) simulations to better characterize the model uncertainty and understand predictability.

58 GEOSCIENCES↗
DOE OSTI2022

Workshop on Materials & Manufacturing for Marine Energy Technologies (Summary Report: October 5, 2021)

The U.S. Department of Energy’s Water Power Technologies Office (WPTO) enables research, testing, development, and commercialization of emerging technologies to advance marine energy, as well as next-generation hydropower and pumped storage systems, for a flexible, reliable grid. This report summarizes the results of a WPTO-sponsored public workshop held virtually on October 5, 2021.

13 HYDRO ENERGY↗