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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Structure-Dependent Lithium Metal Reactivity of Lithium Lanthanum Titanium Oxide Solid Electrolytes

Ongoing efforts to design stable, ionically conductive solid-state electrolytes (SSEs) for next-generation solid-state batteries make it clear that both long and short-range structural order strongly influence materials performance. However, clear structure-property relationships are generally lacking, making it difficult to develop design rules for improving the (electro) chemical stability of SSEs. Here, in this work, we synthesize epitaxial, single-crystal lithium lanthanum titanium oxide (LLTO) films and demonstrate that the kinetics of Ti 4+ reduction and lithium intercalation depend sensitively on the crystal orientation, with electrochemical stability increasing as LLTO (001) < (110) similar to (112) < (100). However, thermodynamic stability is ultimately unaffected-all orientations fully reduce after extended contact with Li metal. In contrast, amorphous LLTO films exhibit minimal, self-limiting reactivity that results in an interface that is stable to extended contact with Li metal. The results demonstrate the potential to engineer crystal lattice strain and long-range order to differentially tune the stability of the solid electrolyte toward reactive lithium metal and cathode materials, suggesting strategies for enabling the wider deployment of LLTO and other ionically conductive ceramic films in advanced energy storage technologies

Ketter, Benjamin [Argonne National Laboratory (ANL↗
DOE OSTI2021

Space-Time Quantum Metasurfaces

Metasurfaces have recently entered the realm of quantum photonics, enabling manipulation of quantum light using a compact nanophotonic platform. Realizing the full potential of metasurfaces at the deepest quantum level requires the ability to tune coherent light-matter interactions continuously in space and time. Here, we introduce the concept of space-time quantum metasurfaces for arbitrary control of the spectral, spatial, and spin properties of nonclassical light using a compact photonic platform. We show that space-time quantum metasurfaces allow on-demand tailoring of entanglement among all degrees of freedom of a single photon. We also show that spatiotemporal modulation induces asymmetry at the fundamental level of quantum fluctuations, resulting in the generation of steered and vortex photon pairs out of vacuum. Space-time quantum metasurfaces have the potential to enable novel photonic functionalities, such as encoding quantum information into high-dimensional color qudits using designer modulation protocols, sculpting multispectral and multispatial modes in spontaneous emission, and generating reconfigurable hyperentanglement for high-capacity quantum communications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Circuitry Design for ChIMES AC Drive Coil

This paper describes the technical aspects for development of the function generator and power amplifier components of the AC Drive coil on the ChIMES sensor. This will significantly aid in miniaturization of the entire sensor system. This paper only documents the two components mentioned, however with the design specifications laid out here, the rest of the circuitry can be miniaturized and made to be compatible with these components more easily than could be done previously.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Enabling On-Demand Aerospace Component Manufacturing: Topology Optimization of GE Engine Bracket and Fabrication Using Metal FFF

Additive Manufacturing (AM) offers advantages over conventional manufacturing processes, particularly by reducing the number of parts produced through multistage combined technologies, but these often result in low manufacturing yields or require post-processing. AM facilitates the production of complex geometries with fine features, overhangs, and lattice structures. For instance, Laser Powder Bed Fusion (LPBF) technology enables the fabrication of intricate parts that can be easily post-processed by removing residual powder. Laser powder bed AM technologies are widely discussed in the literature due to their design freedom in creating complex geometries, with and without the need for support generation. However, rapid solidification due to a thermal gradient in the build direction, which leads to the formation of columnar grains and warpage, is one of the challenges. To address this challenge, we propose layer-by-layer metal FFF technology, followed by the debinding and sintering process, as an alternative to powder- and laser-based approaches. Furthermore, design for additive manufacturing (DfAM) principles are discussed to minimize the need for support generation and enable easy post-processing, thereby improving surface finish to meet high tolerances in fabricating components for aerospace and healthcare applications.

Singh, Abhishek [University of Michigan, Ann Arbor↗
DOE OSTI2023

Rapid discovery of high hardness multi-principal-element alloys using a generative adversarial network model

Multi-principal element alloys (MPEAs) continue to gain research prominence due to their promising high-temperature microstructural and mechanical properties. Recently, machine learning (ML) and materials informatics have been used extensively for screening MPEAs, however, most of these efforts were focused on constructing classification and regression models for predicting phase stability and mechanical properties of known compositions. These approaches may accelerate the screening process but optimizing new compositions with desirable properties within a practical time frame from an infinitely large design space of MPEA systems remains a grand challenge. To tackle this composition optimization challenge, a generative adversarial network coupled with a neural-network ML model was utilized to design MPEAs by filtering compositions that have high hardness. Even in a high-dimensional space with 18 elements as descriptors, the ML model was able to generate optimized compositions from which one composition was found to have 10% higher hardness (941 HV) than the maximum in the training data (857 HV). Density-functional theory was used to provide thermodynamic and electronic insights to higher hardness of the new MPEA found. The present work can optimize compositions from a wide design space of 18 elements (including W, Ta and Nb) that presents an opportunity to synthesize new compositions for applications ranging from corrosion-resistant alloys to nuclear materials. Here the findings suggest that generative ML can greatly accelerate materials discovery by identifying novel compositions, which can serve as a data-informed tool to guide experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spatiotemporally resolved measurements of electric field around a piezoelectric transformer using electric-field induced second harmonic (E-FISH) generation

When a piezoelectric transformer (PT) is actuated at its second harmonic frequency by a low input voltage, the generated electric field at the distal end can be sufficient to breakdown the surrounding gas, making them attractive power sources for non-equilibrium plasma generation. Understanding the potential and electric fields produced in the surrounding medium by the PT is important for effectively designing and using PT plasma devices. In this work, the spatiotemporally resolved characteristics of the electric field generated by a PT operating in open air have been investigated using the femtosecond electric field-induced second harmonic generation (E-FISH) method. Here, electric field components were determined by simultaneously conducting E-FISH measurements with the incident laser polarized in two orthogonal directions relative to the PT crystal. Results of this work demonstrate the spatial distribution of electric field around the PT’s output distal end and how it evolves as a function of time. Notably, the strongest electric field appears on the face of the PT’s distal surface, near the top and bottom edges and decreases by approximately 70% over 3 mm. The time delay between the PT’s input voltage and measured electric field indicates that there is an about 0.45 phase difference between the PT’s input voltage and output signal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Design of intrinsically disordered protein variants with diverse structural properties

Intrinsically disordered proteins (IDPs) perform a broad range of functions in biology, suggesting that the ability to design IDPs could help expand the repertoire of proteins with novel functions. Computational design of IDPs with specific conformational properties has, however, been difficult because of their substantial dynamics and structural complexity. We describe a general algorithm for designing IDPs with specific structural properties. We demonstrate the power of the algorithm by generating variants of naturally occurring IDPs that differ in compaction, long-range contacts, and propensity to phase separate. We experimentally tested and validated our designs and analyzed the sequence features that determine conformations. We show how our results are captured by a machine learning model, enabling us to speed up the algorithm. Our work expands the toolbox for computational protein design and will facilitate the design of proteins whose functions exploit the many properties afforded by protein disorder.

Science & Technology - Other Topics↗
DOE OSTI2022

Facility to Alleviate Salt Technology Risks (FASTR): Design Report

The Facility to Alleviate Salt Technology Risks (FASTR) is a versatile, high-temperature (>600°C) molten chloride salt test facility designed to enable a variety of testing to advance the Generation 3 (Gen 3) Concentrated Solar Power (CSP) molten salt technology. FASTR includes a salt preparation system and a forced flow test loop with a suite of instrumentation. The FASTR loop is capable of 725°C operation and flow rates of 3–7 kg/s, and it includes heated and cooled sections and swappable components to enable testing of future vendor-supplied hardware. The salt preparation system supplies large batches (e.g., 200 kg) of clean salt for use in the FASTR forced convection loop. This report summarizes the design and capabilities of FASTR in its as-built form as of December 2022.

14 SOLAR ENERGY↗
DOE OSTI2020

Evaluation of Hydrogen Gas Generation and Permeation in the 9979 Type AF Shipping Package

The 9979 Type AF Shipping Packaging is a cost-effective radioactive material package designed by Savannah River National Laboratory (SRNL) that consists of two primary components: a foamed outer drum for structural protection and an inner containment drum. The packaging was designed to transport Highly Enriched Uranium (HEU), Low Enriched Uranium (LEU), and other isotopes not exceeding a Type A quantity. These contents have the potential to generate flammable hydrogen gas during transport due to the degradation of hydrogenous materials (e.g. water vapor, plastics, etc) by high-energy alpha radiation. Since 10 CFR 71.43(h) prohibits the incorporation of packaging features explicitly designed for continuous venting, alternative justification was required to demonstrate that the requirements of 10 CFR 71.43(d) for negligible reactions between packaging components and contents were satisfied. An analysis was performed to demonstrate that the potential for hydrogen gas generation over a one-year period was limited by the effects of permeation through the packaging materials. The rate of hydrogen collection was evaluated for both the inner containment drum and the outer structural drum under 10 CFR 71.71 Normal Conditions of Transport (NCT). The analysis concludes that the Lower Flammability Limit (LFL) for hydrogen gas will not be reached in a one-year shipping period assuming a minimum void volume is maintained within the drum.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Genome engineering allows selective conversions of terephthalaldehyde to multiple valorized products in bacterial cells

Deconstruction of polyethylene terephthalate (PET) plastic waste generates opportunities for valorization to alternative products. We recently designed an enzymatic cascade that could produce terephthalaldehyde (TPAL) from terephthalic acid. Here, we showed that the addition of TPAL to growing cultures of Escherichia coli wild-type strain MG1655 and an engineered strain for reduced aromatic aldehyde reduction (RARE) strain resulted in substantial reduction. We then investigated if we could mitigate this reduction using multiplex automatable genome engineering (MAGE) to create an E. coli strain with 10 additional knockouts in RARE. Encouragingly, we found this newly engineered strain enabled a 2.5-fold higher retention of TPAL over RARE after 24 h. We applied this new strain for the production of para-xylylenediamine (pXYL) and observed a 6.8-fold increase in pXYL titer compared with RARE. Altogether, our study demonstrates the potential of TPAL as a versatile intermediate in microbial biosynthesis of chemicals that derived from waste PET.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Cobalt‐Catalyzed Electroreductive Alkylation of Unactivated Alkyl Chlorides with Conjugated Olefins

Abstract Reactions of unactivated alkyl chlorides under mild and sustainable conditions are rare compared to those of alkyl bromides or iodides. As a result, synthetic methods capable of modifying the vast chemical space of chloroalkane reagents, wastes, and materials are limited. We report the cobalt‐catalyzed reductive addition of unactivated alkyl chlorides to conjugated alkenes. Co‐catalyzed activation of alkyl chlorides is performed under electroreductive conditions, and the resulting reactions constitute formal alkyl‐alkyl bond formation. In addition to developing an operationally simple methodology, detailed mechanistic studies provide insights into the elementary steps of a proposed catalytic cycle. In particular, we propose a switch in the mechanism of C−Cl bond activation from nucleophilic substitution to halogen atom abstraction, which is critical for efficiently generating alkyl radicals. These mechanistic insights were leveraged in designing ligands that enable couplings of primary, secondary, and tertiary alkyl chlorides.

Al Zubaydi, Samir↗
DOE OSTI2023

Cobalt‐Catalyzed Electroreductive Alkylation of Unactivated Alkyl Chlorides with Conjugated Olefins

Abstract Reactions of unactivated alkyl chlorides under mild and sustainable conditions are rare compared to those of alkyl bromides or iodides. As a result, synthetic methods capable of modifying the vast chemical space of chloroalkane reagents, wastes, and materials are limited. We report the cobalt‐catalyzed reductive addition of unactivated alkyl chlorides to conjugated alkenes. Co‐catalyzed activation of alkyl chlorides is performed under electroreductive conditions, and the resulting reactions constitute formal alkyl‐alkyl bond formation. In addition to developing an operationally simple methodology, detailed mechanistic studies provide insights into the elementary steps of a proposed catalytic cycle. In particular, we propose a switch in the mechanism of C−Cl bond activation from nucleophilic substitution to halogen atom abstraction, which is critical for efficiently generating alkyl radicals. These mechanistic insights were leveraged in designing ligands that enable couplings of primary, secondary, and tertiary alkyl chlorides.

Al Zubaydi, Samir↗
DOE OSTI2022

Multiphase layered transition metal oxide positive electrodes for sodium ion batteries

Abstract Multiphase layered transition metal oxides (LTMOs) for sodium ion battery (SIB) positive electrodes with phase interfaces across multiple length scales are a promising avenue toward practical, high‐performance SIBs. Combinations of phases can complement each other's strengths and mitigate their weaknesses if their interfaces are carefully controlled. Intra‐ and interparticle phase interactions from nanoscale to macroscale must be carefully tuned to generate distinct effects on properties and performance. An informed design strategy must be paired with relevant synthesis techniques and complemented by spatially resolved characterization tools to manipulate different length scales and interfaces. This review examines the design, synthesis, and characterization strategies that have been demonstrated for the preparation of heterogeneous, multiphasic LTMOs with phase interfaces across varied length scales.

25 ENERGY STORAGE↗
DOE OSTI2025

A Poromechanical Framework for Internal Interactions Induced by Solid Inclusions

The framework of poromechanics is generalized to simulate the multiscale behavior of porous media subjected to internal loadings stemming from the growth of solid inclusions. This generalization is designed to enable the study of anisotropic internal stress generation from solid growth within the pores, while recovering isotropic fluid-induced loading as a particular case. For this purpose, a mathematical strategy to define constitutive tensors in a thermodynamically consistent form is proposed, thus offering new opportunities for determining the poromechanical properties of a porous solid through advanced experimentation or micromechanical models. The framework is specialized by means of established elastic solutions for single pore–matrix interaction, as well as through homogenization schemes considering the interaction among congruent pores. In particular, the second Eshelby solution and the Tanaka–Mori–Benveniste homogenization scheme are used to derive a microporoelastic model. At an elemental scale, the model is tested under mixed control conditions by replicating different scenarios of geomaterial testing. In addition, the model characteristics are outlined with reference to inelastic microscopic loadings replicating chemo-mechanical forcing, such as expansive crystal formation. Through a series of parametric analyses, it is shown that the microstructure of the pores significantly influences the properties of porous media. Most notably, it is shown that the effects of a solid forming within the pores depend in a highly nonlinear fashion on the constitutive characteristics of the inhomogeneities and can therefore not be readily quantified or predicted without models capturing the diverse multiscale interactions among pores, inhomogeneities, and matrix.

chemomechanics↗
DOE OSTI2024

New Safety Feedback Control Design to Guarantee Adequate Frequency Performance in Microgrids

Safety analysis of power systems is concerned with the system's ability to maintain critical variables within specified limits following a disturbance. Frequency control adequacy has become increasingly important as the system inertia decreases due to the increase in renewable energy penetration. Various controllers for inverters have been proposed to improve the system frequency response and few are capable to ensure the safety of the response. In this article, a diesel-wind energy system is considered and modeled as a switching system between normal, faulted, and post-fault modes. Further, a safety feedback controller is designed as a supplementary signal for a wind turbine generator such that the speed of the diesel generator stays within a permissible range in the presence of a finite energy disturbance. Numerical results on the modified 33-bus microgrid system obtained of the proposed novel approach indicate that the suggested control configuration can guarantee adequate frequency response without excessive conservativeness.

barrier function↗
DOE OSTI2024

Interpenetrated Structures for Enhancing Ion Diffusion Kinetics in Electrochemical Energy Storage Devices

The architectural design of electrodes offers new opportunities for next-generation electrochemical energy storage devices (EESDs) by increasing surface area, thickness, and active materials mass loading while maintaining good ion diffusion through optimized electrode tortuosity. However, conventional thick electrodes increase ion diffusion length and cause larger ion concentration gradients, limiting reaction kinetics. We demonstrate a strategy for building interpenetrated structures that shortens ion diffusion length and reduces ion concentration inhomogeneity. This free-standing device structure also avoids short-circuiting without needing a separator. The feature size and number of interpenetrated units can be adjusted during printing to balance surface area and ion diffusion. Starting with a 3D-printed interpenetrated polymer substrate, we metallize it to make it conductive. This substrate has two individually addressable electrodes, allowing selective electrodeposition of energy storage materials. Using a Zn//MnO 2 battery as a model system, the interpenetrated device outperforms conventional separate electrode configurations, improving volumetric energy density by 221% and exhibiting a higher capacity retention rate of 49% compared to 35% at temperatures from 20 to 0 °C. Our study introduces a new EESD architecture applicable to Li-ion, Na-ion batteries, supercapacitors, etc.

25 ENERGY STORAGE↗
DOE OSTI2022

Evaluation of mitigation strategies for radioactive fission gases in fluoride-salt-cooled high-temperature reactors

Here, the Fluoride-salt-cooled High-temperature Reactor (FHR) is a promising Generation IV nuclear reactor due to its improved safety design, near atmospheric working pressure, and high electric power conversion efficiency. However, control of radioactive fission gases, such as tritium, is a critical issue in FHRs due to the significantly larger production rate and potentially larger leakage rate of tritium compared to those in Light Water Reactors (LWRs). Therefore, this study proposes two mitigation strategies for tritium in FHRs: Double-Wall Heat eXchanger with a Tritium Carrier (DWHX-TC) option and Single-Wall Heat eXchanger with a Tritium Barrier (SWHX-TB) option. For the DWHX-TC option, two tube surface configurations, i.e., plain and fluted tubes, and four tritium carriers, i.e., helium, FLiBe, FLiNaK, and KF-ZrF 4 , are initially considered, among which the best tube configuration and promising tritium carrier are then selected and used for design optimization of the DWHX. For the SWHX-TB option, two cases, tritium barriers with and without cracks, are investigated in this study. In addition, the two mitigation strategies are evaluated by an in-house, one-dimensional, coupled HEat and MAss Transfer (HEMAT) code developed to predict the leakage rate of tritium in nuclear systems. Our analysis shows that (1) a double-wall configuration using fluted tubes as both the inner and outer tubes is better than other double-wall configurations investigated; (2) helium, as a tritium carrier, is superior to other candidates, including FLiBe, FLiNaK, and KF-ZrF 4 ; (3) the leakage rate of tritium (into the atmosphere) is reduced from 3400 Ci/day, taking the Advanced High-Temperature Reactor (AHTR) as a reference, to 4.0 Ci/day for an optimum design of the DWHX-TC option using helium as the tritium carrier and 1.7 Ci/day for an optimum design of the SWHX-TB option using 30-µm thick silicon carbide (SiC) as the tritium barrier (no cracks); and (4) potential cracks in tritium barriers may significantly deteriorate mass transfer performance of the SWHX-TB option. For example, a cracking rate of 0.1% leads to an increase of 694.1% in the leakage rate under the conditions investigated.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Exsolution of NiCo alloys over Ruddlesden-Popper perovskite for mild electrochemical synthesis of ammonia on protonic ceramic electrochemical cells

Ammonia synthesis from renewable energies on protonic ceramic electrochemical cells (PCECs) shows great potential. The primary challenges in ammonia synthesis on PCECs include sluggish catalytic activity, competition from the hydrogen evolution reaction, and unsatisfactory durability of the cathode, which is the active site of ammonia generation. Here, in this study, we report an elaborate design of the cathode with an intended formula of Pr 4 Ni 1.79 Co 1.2R u 0.01 O 10-δ , where NiCo alloy nanoparticles are exsolved from Ruddlesden-Popper perovskite substrates after the reduction in 5 % H 2 /Ar at 400 °C for 1 h, for electrocatalysis of the nitrogen reduction reaction to ammonia. The host material Pr 4 Ni 1.8 Co 1.2 O 10-δ with embeddable layered structure and stability was deliberately chosen to fix the Ru cation and maximize the catalytic activity of NiCo. Also, density functional theory calculations suggest that Ru doping provides an optimal balance between structural stability and redox activity, facilitating the controlled exsolution of NiCo nanoparticles and enhancing catalytic performance. As a result, the composite electrode with exsolved NiCo alloy and abundant oxygen vacancies on fuel-electrode-supported PCECs achieves a superior electrochemical activity towards ammonia synthesis: a peak ammonia formation rate of 27.84 μg h −1 cm −2 and excellent Faradaic efficiencies of 62.6 % at 350 °C.

30 DIRECT ENERGY CONVERSION↗