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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Change Agent: Energy Storage as a Driver of Regulatory Evolution

Purpose of Review Dividing the electric grid into the functions of generation, transmission, anddistribution enabled the drawing of jurisdictional lines and the application of the U.S.Constitution’s federalist system to energy regulation. Energy storage technologies,which can be placed throughout the grid to increase flexibility, can provide serviceacross all three of those functions. But the jurisdictional boundaries that have beendrawn around those functions have created barriers that restrict energy storagetechnologies from achieving their full potential. This review analyzes regulatory changes made to reduce barriers to storage deployment and their broader impacts on energy regulation in the U.S. Recent Findings Major energy regulations promulgated at the state and federal levels have generally focused on liberalizing the U.S. electric system through deregulation and increased competition. Paradoxically, however, these efforts have erected strict regulatory barriers that prevent energy storage technologies from providing service across multiple functions. A new wave of regulations in recent years has endeavored to reduce and remove those barriers. Summary Energy regulations adopted in recent years to reduce barriers to energy storage functionality in recent years have had deep and far-reaching impacts on U.S. electric regulation. These impacts go beyond storage and affect all energy technologies. This paper traces the development of energy regulation in U.S., the functional barriers that they created that impede energy storage functionality, recent efforts to remove those barriers, and the broader effects of those efforts. It concludes with a brief discussion of remaining barriers that prevent energy storage from reaching their full potential on the U.S. electric grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Elucidating the Impact of Cis – Trans Organic Structure Directing Agent Isomer Ratios on the Aluminum Distribution Within SSZ-39

Despite their widespread use, the mechanisms governing the synthesis of zeolite catalysts are still poorly understood. A notable example of this problem is the uncertainty surrounding the influence of synthesis conditions on the placement of Al atoms in the zeolite framework which determines the active sites available for catalytic species. In this work, the role of the cis to trans isomer ratio of the OSDA N,N-dimethyl-3-5-dimethylpiperidinium on the energetics of 26 distinct Al pair distributions in SSZ-39 is examined both in the presence and absence of Na using density functional theory calculations. The initial orientation of the OSDA was found to have a significant impact on the final energies present, necessitating the screening of a large number of initial orientations with force field calculations and single point DFT calculations. Ground state energies were found to vary significantly with the ratio of cis to trans OSDAs with a Boltzmann distribution revealing the most likely Al pair distributions shift from sharing the same 8 membered rings to sharing the same double six membered rings to having no shared subunits as one increases the amount of cis OSDA present within the framework. The presence of Na was found to favor Al pair distributions where both Als occupied the same 6-membered ring. When an implicit solvent model was used to evaluate ground state energies the ideal Na sites shifted from 6-membered rings to empty SSZ-39 cages while OSDA positions and orientations remained largely the same. To provide insight on how kinetic factors may influence Al distributions, formation energies we calculated for connected double six membered rings. Further, these formation energies revealed a preference for Al pairs to occupy the same 4-membered ring which indicates kinetic and thermodynamic control may lead to different Al distributions in SSZ-39.

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

Molecular H 2 as the Reducing Agent in Low-Temperature Oxide Reduction Using Calcium Hydride

Low-temperature synthesis is crucial for advancing sustainable manufacturing and accessing novel metastable phases. Metal hydrides have shown great potential in facilitating the reduction of oxides at low temperatures, yet the underlying mechanism—whether driven by H - , H 2 , or atomic H—remains unclear. Here, in this study, we employ in situ electrical transport measurements and first- principles calculations to investigate the CaH 2 -driven reduction kinetics in epitaxial α-Fe 2 O 3 thin films. Intriguingly, samples in direct contact with or separated from CaH 2 powders exhibit similar apparent activation energies for H 2 reduction, although direct contact significantly increases the reduction rate. These findings indicate that molecular H 2 is the dominant reducing species in the low-temperature reduction of oxides using CaH 2 , with a key aspect of the hydrides' superior reducing power attributed to their ability to eliminate residual moisture. This work underscores the critical role of moisture control in enabling effective low-temperature oxide reduction for advanced material synthesis.

Wang, Jiayue [SLAC National Accelerator Laboratory↗
DOE OSTI2025

Criegee Intermediates Compete Well with OH as a Cleaning Agent for Atmospheric Amides

Elucidating the chemical kinetics of stabilized Criegee intermediates (sCIs) in the atmosphere is critically important for climate modeling. Here, we report a class of very rapid bimolecular reactions of two sCIs, namely, CH 2 OO and syn-CH 3 CHOO, with amides. We used electronic structure calculations and kinetics calculations to elucidate a universal mechanism by which the oxygen atom of the carbonyl group in an amide is added to the carbon atom of the COO group in the sCI with simultaneous transfer of the amide hydrogen to the terminal oxygen atom of the carbonyl oxide of the sCI. The barriers for the mechanism are submerged below reactants by ∼9 kcal/mol, which means that the tight transition state is not the rate-determining step, and the rate constants are determined by loose free energy bottlenecks between the reactants and the precursor complexes. We calculate the rate constants due to these loose and barrierless transition states by variable-reaction-coordinate variational transition-state theory. We find that bimolecular reactions of sCIs with amides are very rapid, with rate constants 1 to 5 × 10 –10 cm 3 molecule –1 s –1 , which is a factor of 2 faster than the rate constants of carboxylic acids with sCIs and 10 2 faster than the rate constants of OH reactions with amides. This has the consequence that, under a wide range of conditions, sCIs are the major sink for atmospheric amides, in contrast to the usual assumption that OH radicals are the dominant sinks.

Amides↗