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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Studying the Durability of Molybdenum Carbide Aerogel as an Electrocatalyst Support for Proton Exchange Membrane Fuel Cells

Carbon-supported platinum nanoparticles (Pt/C) are currently the state-of-the-art catalyst in proton exchange membrane fuel cells (PEMFCs). Unfortunately, the carbon support lacks the ability to stabilize the metal catalyst, as platinum tends to dissolve and agglomerate, significantly compromising the durability. Herein, we synthesized a ceramic material, molybdenum carbide aerogel (MCAG), and utilized it as a Pt support for PEMFCs, as an alternative for conventional carbon supports. N 2 adsorption and XRD analysis showed that the MCAG possesses a combination of high porosity and a well-defined ceramic crystalline structure. The Pt/MCAG system was studied for its electrocatalytic activity toward ORR in a half-cell and demonstrated satisfactory reaction kinetics and electrochemical active surface area, comparable to the commercial Pt/C. For durability examination, an accelerated stress test (AST) in a single cell was conducted with the Pt/MCAG catalyst at the cathode, following the U.S. DOE electrocatalyst AST protocol. Intermediate polarization curves and cyclic voltammograms were recorded over the course of the AST to monitor the aging process. The results indicated that the MCAG support exhibited superior durability in long-term fuel cell operation compared to a carbon support. The Pt/MCAG system demonstrated stable behavior during the progressive stages of the AST, retaining more than 50% of its initial performance by the end of the test, whereas carbon-supported Pt preserved only 30%.

25 ENERGY STORAGE↗
DOE OSTI2025

Topotaxially grown composite cathodes for cobalt-free high-energy long-life Li-ion batteries

The vehicle industry’s increasing demand for electrification necessitates the removal of expensive and rare cobalt from current high-energy batteries. However, eliminating cobalt poses challenges due to its vital role in maintaining the layered structural ordering and cycling stability of commonly used Li(NiMnCo)O 2 cathodes. As an alternative to conventional layered oxide designs, we report a lithium nickelate cathode with a composite structure comprising major stoichiometric layered and minor rocksalt phases within the same oxygen lattice. This material outperforms conventional designs by maintaining stable battery operation at voltages up to 4.8 V vs. Li|Li + , with 88% capacity retention after 1000 cycles at 2C. The topotaxial-growth-enabled interlock between the two components mitigates chemo-mechanical degradation, offering a promising pathway to cobalt-free cathodes. Additionally, we reveal a miscibility gap in the Li-Ni-O system that enables kinetic adjustment of composition and structure during sintering, thereby tuning the functionality of high-energy cathodes.

25 ENERGY STORAGE↗
DOE OSTI2022

Modulation of the coordination environment enhances the electrocatalytic efficiency of Mo single atoms toward water splitting

Here, enhancing the catalytic efficiency through engineering active site environments is expected to work pronouncedly for single atom catalysts (SACs) because of intense atomic scale interactions involved between SAs and their coordination environments. Taking Mo SACs for catalyzation of the hydrogen evolution reaction (HER) as an example, three SACs of different coordination environments, namely Mo-O 2 N 2 , Mo-O 2 N 1 C 1 , and Mo-O 2 C 2 , were successfully created for demonstration. The HER performances are in an increasing order of Mo-O 2 N 2 , Mo-O 2 N 1 C 1 , and Mo-O 2 C 2 , exhibiting η 10 of 98, 71, and 61 mV, η 500 of 340, 248, and 200 mV, Tafel slopes of 95.8, 39.6, and 33.8 mV dec -1 , and current density decays of 9, 6, and 6% after a 50 hour operation at an initial current density of 100 mA cm -2 , respectively. Substituting C with N in the coordination environment results in inferior HER catalytic efficiency and stability. Density functional theory calculations reveal that replacing carbon with nitrogen for coordination with the Mo SA on a carbon substrate of a higher N-doping level shifts the d-band center of Mo more negatively from the Fermi level, thereby increasing the hydrogen adsorption energy and thus decelerating the hydrogen desorption kinetics, giving consequent inferior HER activities.

25 ENERGY STORAGE↗
DOE OSTI2020

Superconductivity in La and Y hydrides: Remaining questions to experiment and theory

Recent reports of the superconductivity in hydrides of two different families (covalent lattice, as in SH3 and clathrate-type H-cages containing La and Y atoms, as in LaH10 and YH6) have revealed new families of high-Tc materials with Tc’s near room temperature values. These findings confirm earlier expectations that hydrides may have very high Tc’s due to the fact that light H atoms have very high vibrational frequencies, leading to high Tc values within the conventional Bardeen–Cooper–Schrieffer phonon mechanism of superconductivity. However, as is pointed out by Ashcroft, it is important to have the metallic hydrogen “alloyed” with the elements added to it. This concept of a metallic alloy containing a high concentration of metal-like hydrogen atoms has been instrumental in finding new high-Tc superhydrides. These new superhydride “room-temperature” superconductors are stabilized only at very high pressures above 100 GPa, making the experimental search for their superconducting properties very difficult. We will review the current experimental and theoretical results for LaH10−x and YH6−x superhydrides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Operation of AlGaN Channel HEMTs at 850 °C With ON/OFF Ratio >10 4

Here, we report 850 ° C operation of ultrawide bandgap (UWBG) Al-rich Al 0.68 Ga 0.32 N channel high electron mobility transistors (HEMTs) at atmospheric pressure in nitrogen ambient. Temperature dependent DC electrical characteristics were measured in situ up to 850 ° C, after exposure to 850 ° C for 60 minutes, and at 25 ° C after high temperature testing. At 850 ° C (time, t = 0 min), all HEMTs tested maintained an on/off ratio greater than 10 4 (maximum of 4.6 × 10 4 ). The threshold voltage demonstrated excellent stability with less than ±10% deviation. After returning to 25 ° C, the devices showed negligible degradation. In fact, the off-state gate current decreased and on/off ratio slightly increased. The robustness of these UWBG AlGaN transistors at temperatures up to 850 ° C demonstrates their viability for extreme environment applications.

AlGaN↗
DOE OSTI2020

A Stabilizer based Predictive Control Scheme for Smart Inverters in Weak Grid

This paper presents a self-stabilization mechanism based on finite-set model predictive control (FCS-MPC) framework for smart inverters operating in weak grid conditions. As weak grid’s large parasitic impedance and low short-circuitratio (SCR) challenge the stable operation of grid-connected inverters. Specifically, the inverter may experience frequencies that might excite the LCL filter resonance phenomenon. The inverter stability collapses if this LCL resonance is triggered. To address this issue, a robust predictive controller is proposed that features a self-stabilization mechanism for smart inverters interacting with a weak grid. The proposed methodology utilizes the idea that in stiff grid conditions the grid current feedback (GCF) is stable and in weak grid conditions the inverter current feedback (ICF) is stable. Therefore, the proposed FCS-MPC toggles between GCF and ICF to achieve inherent LCL filter resonance damping. The toggling action between GCF and ICF is leveraged by comparing the moving RMS grid current with threshold current as a constrained in the proposed FCS-MPC cost function. The theoretical analyses are verified by several case studies for a single-phase grid-connected inverter. The analysis and results demonstrated that the proposed FCS-MPC operates well under weak, ultra-weak and stiff grid conditions.

Umar, Muhammad Farooq↗
DOE OSTI2024

Chemical diversity in angiosperms − monoterpene synthases control complex reactions that provide the precursors for ecologically and commercially important monoterpenoids

SUMMARY Monoterpene synthases (MTSs) catalyze the first committed step in the biosynthesis of monoterpenoids, a class of specialized metabolites with particularly high chemical diversity in angiosperms. In addition to accomplishing a rate enhancement, these enzymes manage the formation and turnover of highly reactive carbocation intermediates formed from a prenyl diphosphate substrate. At each step along the reaction path, a cationic intermediate can be subject to cyclization, migration of a proton, hydride, or alkyl group, or quenching to terminate the sequence. However, enzymatic control of ligand folding, stabilization of specific intermediates, and defined quenching chemistry can maintain the specificity for forming a signature product. This review article will discuss our current understanding of how angiosperm MTSs control the reaction environment. Such knowledge allows inferences about the origin and regulation of chemical diversity, which is pertinent for appreciating the role of monoterpenoids in plant ecology but also for aiding commercial efforts that harness the accumulation of these specialized metabolites for the food, cosmetic, and pharmaceutical industries.

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

Tantalum-stabilized ruthenium oxide electrocatalysts for industrial water electrolysis

The iridium oxide (IrO 2 ) catalyst for the oxygen evolution reaction used industrially (in proton exchange membrane water electrolyzers) is scarce and costly. Although ruthenium oxide (RuO 2 ) is a promising alternative, its poor stability has hindered practical application. Here, we used well-defined extended surface models to identify that RuO 2 undergoes structure-dependent corrosion that causes Ru dissolution. Tantalum (Ta) doping effectively stabilized RuO 2 against such corrosion and enhanced the intrinsic activity of RuO 2 . In an industrial demonstration, Ta-RuO 2 electrocatalyst exhibited stability near that of IrO 2 and had a performance decay rate of ~14 microvolts per hour in a 2800-hour test. At current densities of 1 ampere per square centimeter, it had an overpotential 330 millivolts less than that of IrO 2 .

Zhang, Jiahao [Sichuan Univ., Chengdu (China); Uni↗
DOE OSTI2024

Consistent linearization of micromorphic continuum theories

We outline the procedure of consistent linearization and apply it to the micromorphic, microstretch, and micropolar theories of continua. This yields tractable linear theories for nonlinearly elastic microstructured materials undergoing finite deformations. The results may be readily utilized in computational mechanics, stability and bifurcation analyses, and small-deformation problems in the context of these types of continua. Our results generalize those existing in current literature and facilitate their recovery upon incorporating appropriate kinematic and constitutive assumptions.

McAvoy, Ryan C.↗
DOE OSTI2021

Fuel/Basket Degradation Modeling Summary

This report documents the activities in a preliminary phase of development for three models: 1) waste package breach model, 2) fuel/basket degradation model, and 3) dual-purpose canister (DPC) crush model. The waste package breach model describes the coupling of mass flow, heat transport, and canister shell deformation in response to a heat-generating (criticality) event. The fuel/basket degradation model describes potential weakening and disaggregation of the DPC structure from corrosion, possibly accelerated by seismic ground motion. Progressively degraded three-dimensional (3D) configurations of the fuel, basket, and shell are generated for future analysis of reactivity (with as-loaded DPC fuel characteristics). Another important application for the fuel/basket degradation model is validation of the two stylized degradation cases currently being used by other investigators for analysis of the as-loaded DPC inventory under disposal conditions. The DPC crush model investigates stability of a typical DPC after breach of the disposal overpack allows fluids from the repository near-field environment to penetrate and externally pressurize the canister shell. Preliminary results show that large deformation of the DPC could occur for external pressure on the order of 10 to 15 MPa, or the shell could be stable (not collapse) with pressure of 20 MPa or greater if the basket plates are fully welded at the connections.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

MCBI in an Electron-Ion Collider

The luminosity performance for an electron-ion collider demands high-current operation for both the electron and ion beams, for a wide range of collision energies. This poses many challenges on the beam stability with regard to collective effects. In this paper, we present preliminary estimations of coherent instabilities for both of the EIC designs, i.e., JLEIC and eRHIC. Mitigation mechanisms or schemes envisioned for suppression of the instabilities are also discussed.

Li, Rui↗
DOE OSTI2022

Research Trends and Applications of PMUs

This work is a survey of current trends in applications of PMUs. PMUs have the potential to solve major problems in the areas of power system estimation, protection, and stability. A variety of methods are being used for these purposes, including statistical techniques, mathematical transformations, probability, and AI. The results produced by the techniques reviewed in this work are promising, but there is work to be performed in the context of implementation and standardization. As the smart grid initiative continues to advance, the number of intelligent devices monitoring the power grid continues to increase. PMUs are at the center of this initiative, and as a result, each year more PMUs are deployed across the grid. Since their introduction, myriad solutions based on PMU-technology have been suggested. The high sampling rates and synchronized measurements provided by PMUs are expected to drive significant advancements across multiple fields, such as the protection, estimation, and control of the power grid. This work offers a review of contemporary research trends and applications of PMU technology. Most solutions presented in this work were published in the last five years, and techniques showing potential for significant impact are highlighted in greater detail. Being a relatively new technology, there are several issues that must be addressed before PMU-based solutions can be successfully implemented. This survey found that key areas where improvements are needed include the establishment of PMU-observability, data processing algorithms, the handling of heterogeneous sampling rates, and the minimization of the investment in infrastructure for PMU communication. Solutions based on Bayesian estimation, as well as those having a distributed architectures, show great promise. The material presented in this document is tailored to both new researchers entering this field and experienced researchers wishing to become acquainted with emerging trends.

42 ENGINEERING↗
DOE OSTI2022

Life Cycle Assessment for Closed-Loop Pumped Hydropower Energy Storage in the United States

The federal government has initiated an aggressive set of policies to achieve a net-zero carbon emission goal for the electricity sector by 2050. As a result, rapid growth in deployment of renewable energy technologies is expected. Most commercially mature technologies are temporally variable and do not provide grid inertia, while renewable technologies with high projected deployment have intermittent generation methods. Energy storage technologies are needed to both dispatch power on-demand and help provide the needed grid inertia. Pumped storage hydro (PSH) is a well-established technology that has gained renewed interest in recent years offering energy-balancing, grid stability, control of electrical network frequency, and large-scale storage capacity. For widespread adoption of PSH, more information is needed regarding its current life cycle environmental impacts. The objective of this study is to perform a full life cycle assessment (LCA) of new closed-loop PSH in the U.S. The functional unit for this study is 1 kWh of electrical power delivered to the grid and the base case project lifetime is 80 years. The life cycle inventory for this project accounts for all material and energy flows associated with the green-field construction, operation, maintenance, and decommissioning of a closed-loop PSH plant in the U.S. Collected data represents a range of potential PSH specifications and geographic locations coming from all prospective closed-loop PSH installations in the U.S. with data available. In addition, existing PSH installations are used to provide assumptions for inventory inputs. Results presented will include the global warming potential (GWP IPCC 100a) and Energy Return on Investment (EROI) from our base case (average PSH installation) as well as from scenario analyses and model sensitivity. These results will be compared to the impacts from existing PSH sites and alternate storage technologies. Methods align with the assumptions and guidelines put in place by previous PSH LCAs to ensure an accurate comparison with the results from this report.

ENERGY PLANNING, POLICY, AND ECONOMY,HYDRO ENERGY↗
DOE OSTI2024

Prefusion-stabilized SARS-CoV-2 S2-only antigen provides protection against SARS-CoV-2 challenge

Ever-evolving SARS-CoV-2 variants of concern (VOCs) have diminished the effectiveness of therapeutic antibodies and vaccines. Developing a coronavirus vaccine that offers a greater breadth of protection against current and future VOCs would eliminate the need to reformulate COVID-19 vaccines. Here, we rationally engineer the sequence-conserved S2 subunit of the SARS-CoV-2 spike protein and characterize the resulting S2-only antigens. Structural studies demonstrate that the introduction of interprotomer disulfide bonds can lock S2 in prefusion trimers, although the apex samples a continuum of conformations between open and closed states. Immunization with prefusion-stabilized S2 constructs elicits broadly neutralizing responses against several sarbecoviruses and protects female BALB/c mice from mouse-adapted SARS-CoV-2 lethal challenge and partially protects female BALB/c mice from mouse-adapted SARS-CoV lethal challenge. These engineering and immunogenicity results should inform the development of next-generation pan-coronavirus therapeutics and vaccines.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

ETF Grout Expansion: Evaluation of MgO Additions and Struvite Precipitation Protocol for Potential Expansion

The ETF ammonia tolerant grout waste form was developed by the Vitreous State Laboratory (VSL) to stabilize ammonium and thereby prevent emission of ammonia vapor during solidification of an ammonium-rich, concentrated sulfate aqueous waste stream generated at the Hanford Effluent Treatment Facility (ETF). VSL did not observe expansion in samples prepared during the waste form development work. However, Savannah River National Laboratory (SRNL) personnel did encounter expansion, in some cases up to 20+ volume percent expansion in ETF grout samples while preforming work scope to evaluate compositional ranges for ETF brine and of the precipitation and solidification reagent. The work requests can be found in Washington River Protection Services (WRPS) Statement of Work (SOW), Requisitions #: 339922 Revisions 0 and 1, March 11, 2021, and November 2021. Additional evaluation was requested by WRPS SOW Requisitions #: 356730, Revision 1, February 1, 2022, to determine whether differences in the slags or differences in sample preparation protocols used by VSL and SRNL were the cause of the expansion observed in the SRNL samples. G. Chen, WRPS, arranged a materials exchange between VSL and SRNL and coordinated the VSL protocol for grouting and curing 1L of Base Case ETF simulant. Materials were exchanged between VSL and SRNL and both laboratories performed the VSL struvite precipitation-solidification protocol and cured samples for at least 28 days. VSL and SRNL encountered expansion, at varying degrees, in all samples prepared under the material exchange and grouting protocol. Additional material exchange testing between VSL and SRNL and alternative materials evaluation to further investigate the causes of grout expansion and differentiate the effects of various dry materials, grouting procedures, and curing containers was requested by WRPS SOW Requisitions #: 356730, Revision 2, January 10, 2023. Pacific Northwest National Laboratory (PNNL) assembled and distributed materials to both laboratories for testing. Observations from this study indicated variations in MgO additions, water-to-dry mix (dm) ratios and curing containers did not correlate to ETF ammonia grout expansion. In comparison to previous work, SRNL observed the addition rate of NaOH to be a potential factor for the final pH in the struvite precipitation step. In the current testing NaOH was added in bulk (5-10 mL at one time) during the precipitation step. The resulting pH was 7.57-9.15 which is slightly higher than pH observed at a slower addition rate. Additional testing is needed to identify the presence and/or struvite stability in high-pH struvite precipitant ETF ammonia grout samples. Therefore, based on current data, it is unknown if NaOH addition rate is the fundamental cause of grout expansion.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Simplified Formulas for External Pressure Design

Design of vessels for external pressure currently requires a chart-based solution or analytical approaches which are not necessarily intuitive. In this paper, we propose simple formulas for the external pressure evaluation of pipes and other cylindrical pressure vessels. We present a conceptual comparison between the elastic and elastic-plastic stability of structural columns and that of cylindrical vessels of long, intermediate, and short length. Their common features allow an accurate and straightforward approach for external pressure design. The approach is also extended to spherical caps, conical vessels, and formed heads.We compare the method presented to the current acceptance criteria from various design codes, including the ASME Boiler and Pressure Vessel Code Section VIII, Code Case 2286, and EN 13445-3, as well as codes for steel and aluminum structures. In further discussion, the simplified method is compared against the results of more than 500 experiments on the buckling of cylindrical and spherical vessels published over the past two centuries.This simple but accurate approximation is conceptually intuitive, analytically straightforward, and shows potential utility in pressure vessel design codes, as well as piping design codes such as B31 that currently reference ASME VIII for external pressure design.

Kirkland, Will↗
DOE OSTI2020

High-Power Lithium Metal Batteries Enabled by High-Concentration Acetonitrile-Based Electrolytes with Vinylene Carbonate Additive

To enable next-generation high power, high-energy-density lithium (Li) metal batteries (LMBs), an electrolyte possessing both high Li Coulombic efficiency (CE) at high-rate and good anodic stability on cathodes is critical. Acetonitrile (AN) is a well-known organic solvent for high anodic stability and high ionic conductivity, yet its application in LMBs is limited due to its poor compatibility with Li metal anode even at high salt concentration conditions. Here, we developed a highly concentrated AN-based electrolyte with vinylene carbonate (VC) additive to suppress Li+ depletion at high current densities. Addition of VC in the AN-based electrolyte leads to the formation of a polycarbonate-based solid electrolyte interphase which minimizes Li corrosion and leads to very high Li CE of up to 99.1% at a current density of 0.2 mA cm-2. Using such an electrolyte, fast charging of Li||NMC333 cells has been realized at a high current density of 3.6 mA cm-2, and stable cycling of Li||NMC622 cells with a high cathode loading of 4 mAh cm-2 has also been demonstrated.

Peng, Zhe↗
DOE OSTI2020

Single-atom automobile exhaust catalysts

Single-atom catalysts (SACs) with isolated metal centers are attracting great research interest because of their maximized metal utilization rates and unique structures. In the last decade, significant efforts have been made to design highly efficient and costeffective SACs with applications in automobile exhaust aftertreatment. SACs have not only demonstrated their high potential for improving the catalytic performance of current automobile exhaust catalysts but also provided an ideal platform for understanding the origins of catalyst reactivity. In this review, we summarize the general strategies for promoting the reactivity of metal SACs while maintaining their thermal stability during exhaust-abatement-related reactions. Highlights are provided on well-performed SACs for CO oxidation, unburnt hydrocarbon (HC) oxidation, and the selective catalytic reduction of NOx. The reaction mechanism and structure– performance relationship of SAC during these reactions are also discussed. Finally, perspectives are given on the trending research fields for designing more efficient single-atom automobile exhaust catalysts in the future.

Lu, Yubing↗