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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Enabling DER Participation in Frequency Regulation Markets

Distributed energy resources (DERs) are playing an increasing role in ancillary services for the bulk grid, particularly in frequency regulation. In this article, we propose a framework for collections of DERs, combined to form microgrids and controlled by aggregators, to participate in frequency regulation markets. Our approach covers both the identification of bids for the market clearing stage and the mechanisms for the real-time allocation of the regulation signal. The proposed framework is hierarchical, consisting of a top layer and a bottom layer. The top layer consists of the aggregators communicating in a distributed fashion to optimally disaggregate the regulation signal requested by the system operator. The bottom layer consists of the DERs inside each microgrid whose power levels are adjusted so that the tie line power matches the output of the corresponding aggregator in the top layer. The coordination at the top layer requires the knowledge of cost functions, ramp rates, and capacity bounds of the aggregators. We develop meaningful abstractions for these quantities respecting the power flow constraints and taking into account the load uncertainties and propose a provably correct distributed algorithm for optimal disaggregation of regulation signals among the microgrids.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Resolving extreme jet substructure

We study the effectiveness of theoretically-motivated high-level jet observables in the extreme context of jets with a large number of hard sub-jets (up to N = 8). Previous studies indicate that high-level observables are powerful, interpretable tools to probe jet substructure for N ≤ 3 hard sub-jets, but that deep neural networks trained on low-level jet constituents match or slightly exceed their performance. We extend this work for up to N = 8 hard sub-jets, using deep particle-flow networks (PFNs) and Transformer based networks to estimate a loose upper bound on the classification performance. A fully-connected neural network operating on a standard set of high-level jet observables, 135 N-subjetiness observables and jet mass, reach classification accuracy of 86.90%, but fall short of the PFN and Transformer models, which reach classification accuracies of 89.19% and 91.27% respectively, suggesting that the constituent networks utilize information not captured by the set of high-level observables. We then identify additional high-level observables which are able to narrow this gap, and utilize LASSO regularization for feature selection to identify and rank the most relevant observables and provide further insights into the learning strategies used by the constituent-based neural networks. The final model contains only 31 high-level observables and is able to match the performance of the PFN and approximate the performance of the Transformer model to within 2%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Characterization of Surrogate Molten Salt Reactor Aerosol Streams

Measuring the aerosol evolution from MSRs is important for monitoring the off-gas system of the reactor and is particularly important for detecting off-normal conditions. In a molten salt reactor (MSR) accident scenario, an aerosol release would be a major factor in the source term. This aerosol stream would likely be generated from a breach in the cover gas system, which causes particles produced from fission itself to escape, or from a salt spill that produces aerosols through splashing and secondary reactions. The particle size of the produced aerosols is anticipated to vary greatly and range from 0.01 to 10 µm. The transport of these aerosols would be dependent on the particle size. A better understanding of aerosol generation, size, and monitoring methods are needed to inform estimation and mitigation of potential aerosolized source terms from MSRs. While salt spill experiments are being performed at Argonne National Laboratory, the development of aerosol characterization and monitoring methods are being developed at Oak Ridge National Laboratory. To generate prototypic aerosols for use in testing monitoring instruments and mitigation methods, a surrogate aerosol stream was produced with a Collison nebulizer, and the particle size distributions were measured with a cascade impactor. The results demonstrated that by changing the nebulizer pressure, the aerosol particle size distribution can be adjusted to best match the region of interest for experiments with higher pressures, driving the particle size down. However, nearly all aerosols formed exceeded 1 µm in diameter, providing a lower bound for the surrogate aerosol stream. In addition to verifying the applicability of this surrogate aerosol stream, this work has shown that a laser induced breakdown spectroscopy monitoring system that is under development is resilient to changes in particle sizes, increasing its robustness for off-gas monitoring.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Penetration Bounds For Azimuthal Slot On Infinite Cylinder With Finite Length Backing Cylindrical Cavity

We examine coupling into azimuthal slots on an infinite cylinder with a infinite length interior cavity operating both at the fundamental cavity modal frequencies, with small slots and a resonant slot, as well as higher frequencies. The coupling model considers both radiation on an infinite cylindrical exterior as well as a half space approximation. Bounding calculations based on maximum slot power reception and interior power balance are also discussed in detail and compared with the prior calculations. For higher frequencies limitations on matching are imposed by restricting the loads ability to shift the slot operation to the nearest slot resonance; this is done in combination with maximizing the power reception as a function of angle of incidence. Finally, slot power mismatch based on limited cavity load quality factor is considered below the first slot resonance.

42 ENGINEERING↗
DOE OSTI2021

Intrinsic donor-bound excitons in ultraclean monolayer semiconductors

The monolayer transition metal dichalcogenides are an emergent semiconductor platform exhibiting rich excitonic physics with coupled spin-valley degree of freedom and optical addressability. Here, we report a new series of low energy excitonic emission lines in the photoluminescence spectrum of ultraclean monolayer WSe 2 . These excitonic satellites are composed of three major peaks with energy separations matching known phonons, and appear only with electron doping. They possess homogenous spatial and spectral distribution, strong power saturation, and anomalously long population (>6 µs) and polarization lifetimes (>100 ns). Resonant excitation of the free inter- and intravalley bright trions leads to opposite optical orientation of the satellites, while excitation of the free dark trion resonance suppresses the satellites' photoluminescence. Defect-controlled crystal synthesis and scanning tunneling microscopy measurements provide corroboration that these features are dark excitons bound to dilute donors, along with associated phonon replicas. Our work opens opportunities to engineer homogenous single emitters and explore collective quantum optical phenomena using intrinsic donor-bound excitons in ultraclean 2D semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Material Identification From Radiographs Without Energy Resolution

We propose a method for performing material identification from radiographs without energy-resolved measurements. Material identification has a wide variety of applications, including in biomedical imaging, nondestructive testing, and security. While existing techniques for radiographic material identification make use of dual energy sources, energy-resolving detectors, or additional (e.g., neutron) measurements, such setups are not always practical— requiring additional hardware and complicating imaging. We tackle material identification without energy resolution, allowing standard X-ray systems to provide material identification information without requiring additional hardware. Assuming a setting where the geometry of each object in the scene is known and the materials come from a known set of possible materials, we pose the problem as a combinatorial optimization with a loss function that accounts for the presence of scatter and an unknown gain and propose a branch and bound algorithm to efficiently solve it. We present experiments on both synthetic data and real, experimental data with relevance to security applications— thick, dense objects imaged with MeV X-rays. We show that material identification can be efficient and accurate, for example, in a scene with three shells (two copper, one aluminum), our algorithm ran in six minutes on a consumer-level laptop and identified the correct materials as being among the top 10 best matches out of 8,000 possibilities.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Spin-energy entanglement of a time-focused neutron

Intraparticle entanglement of individual particles such as neutrons could enable another class of scattering probes that are sensitive to entanglement in quantum systems and materials. Here, in this work, we present experimental results demonstrating quantum contextuality as a result of entanglement between the spin and energy modes (i.e., degrees of freedom) of single neutrons in a beam using a pair of resonant radio-frequency neutron spin flippers in the modulated intensity with zero effort configuration. We verified the mode entanglement by measuring a Clauser-Horne-Shimony-Holt contextuality witness S defined in the spin and energy subsystems, observing a clear breach of the classical bound of |S| ≤ 2, obtaining S = 2.40 ± 0.02. These entangled beams could enable alternative approaches for directly probing dynamics and entanglement in quantum materials whose low-energy excitation scales match those of the incident entangled neutron.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Dark Energy Survey Year 3 results: Constraints on extensions to Λ CDM with weak lensing and galaxy clustering

We constrain six possible extensions to the Λ cold dark matter (CDM) model using measurements from the Dark Energy Survey’s first three years of observations, alone and in combination with external cosmological probes. The DES data are the two-point correlation functions of weak gravitational lensing, galaxy clustering, and their cross-correlation. We use simulated data vectors and blind analyses of real data to validate the robustness of our results to astrophysical and modeling systematic errors. In many cases, constraining power is limited by the absence of theoretical predictions beyond the linear regime that are reliable at our required precision. The Λ CDM extensions are dark energy with a time-dependent equation of state, nonzero spatial curvature, additional relativistic degrees of freedom, sterile neutrinos with eV-scale mass, modifications of gravitational physics, and a binned σ 8 ( z ) model which serves as a phenomenological probe of structure growth. For the time-varying dark energy equation of state evaluated at the pivot redshift we find ( w p , w a ) = ( - 0.9 9 - 0.17 + 0.28 , - 0.9 ± 1.2 ) at 68% confidence with z p = 0.24 from the DES measurements alone, and ( w p , w a ) = ( - 1.0 3 - 0.03 + 0.04 , - 0. 4 - 0.3 + 0.4 ) with z p = 0.21 for the combination of all data considered. Curvature constraints of Ω k = 0.0009 ± 0.0017 and effective relativistic species N eff = 3.1 0 - 0.16 + 0.15 are dominated by external data, though adding DES information to external low-redshift probes tightens the Ω k constraints that can be made without cosmic microwave background observables by 20%. For massive sterile neutrinos, DES combined with external data improves the upper bound on the mass m eff by a factor of 3 compared to previous analyses, giving 95% limits of ( Δ N eff , m eff ) ≤ ( 0.28 , 0.20 eV ) when using priors matching a comparable Planck analysis. For modified gravity, we constrain changes to the lensing and Poisson equations controlled by functions Σ ( k , z ) = Σ 0 Ω Λ ( z ) / Ω Λ , 0 and μ ( k , z ) = μ 0 Ω Λ ( z ) / Ω Λ , 0 , respectively, to Σ 0 = 0. 6 - 0.5 + 0.4 from DES alone and ( Σ 0 , μ 0 ) = ( 0.04 ± 0.05 , 0.0 8 - 0.19 + 0.21 ) for the combination of all data, both at 68% confidence. Overall, we find no significant evidence for physics beyond Λ CDM .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors

Human p97 ATPase is crucial in various cellular processes, making it a target for inhibitors to treat cancers, neurological, and infectious diseases. Triazole allosteric p97 inhibitors have been demonstrated to match the efficacy of CB-5083, an ATP-competitive inhibitor, in cellular models. However, the mechanism is not well understood. This study systematically investigates the structures of new triazole inhibitors bound to both wild-type and disease mutant forms of p97 and measures their effects on function. These inhibitors bind at the interface of the D1 and D2 domains of each p97 subunit, shifting surrounding helices and altering the loop structures near the C-terminal α2 G helix to modulate domain-domain communications. A key structural moiety of the inhibitor affects the rotameric conformations of interacting side chains, indirectly modulating the N-terminal domain conformation in p97 R155H mutant. The differential effects of inhibitor binding to wild-type and mutant p97 provide insights into drug design with enhanced specificity, particularly for oncology applications.

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

Auriga Streams – I: disrupting satellites surrounding Milky Way-mass haloes at multiple resolutions

In a hierarchically formed Universe, galaxies accrete smaller systems that tidally disrupt as they evolve in the host’s potential. We present a complete catalogue of disrupting galaxies accreted onto Milky Way-mass haloes from the Auriga suite of cosmological magnetohydrodynamic zoom-in simulations. We classify accretion events as intact satellites, stellar streams, or phase-mixed systems based on automated criteria calibrated to a visually classified sample, and match accretions to their counterparts in haloes re-simulated at higher resolution. Most satellites at the present day have lost substantial amounts of stellar mass – 67 per cent have $f_\text{bound} < 0.97$ (our threshold of lost stellar mass to no longer be considered intact), while 53 per cent satisfy a more stringent $f_\text{bound} < 0.8$. Streams typically outnumber intact systems, contribute a smaller fraction of overall accreted stars, and are substantial contributors at intermediate distances from the host centre ($\sim$0.1 to $\sim 0.7R_\text{200m}$, or $\sim$35 to $\sim$250 kpc for the Milky Way). We also identify accretion events that disrupt to form streams around massive intact satellites instead of the main host. Streams are more likely than intact or phase-mixed systems to have experienced pre-processing, suggesting this mechanism is important for setting disruption rates around Milky Way-mass haloes. All of these results are preserved across different simulation resolutions, though we do find some hints that satellites disrupt more readily at lower resolution. The Auriga haloes suggest that disrupting satellites surrounding Milky Way-mass galaxies are the norm and that a wealth of tidal features waits to be uncovered in upcoming surveys.

galaxies: haloes↗
DOE OSTI2023

RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles

$RAD51C$ is an enigmatic predisposition gene for breast, ovarian, and prostate cancer. Currently, missing structural and related functional understanding limits patient mutation interpretation to homology-directed repair (HDR) function analysis. Here we report the RAD51C-XRCC3 (CX3) X-ray co-crystal structure with bound ATP analog and define separable RAD51C replication stability roles informed by its three-dimensional structure, assembly, and unappreciated polymerization motif. Mapping of cancer patient mutations as a functional guide confirms ATP-binding matching RAD51 recombinase yet highlights distinct CX3 interfaces. Analyses of CRISPR/Cas9-edited human cells with $RAD51C$ mutations combined with single-molecule, single-cell and biophysics measurements uncover discrete CX3 regions for DNA replication fork protection, restart and reversal, accomplished by separable functions in DNA binding and implied 5’ RAD51 filament capping. Collective findings establish CX3 as a cancer-relevant replication stress response complex, show how HDR-proficient variants could contribute to tumor development, and identify regions to aid functional testing and classification of cancer mutations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Collider searches for scalar singlets across lifetimes

Spin-0 singlets arise in well-motivated extensions of the Standard Model. Their lifetime determines the best search strategies at hadron and lepton colliders. To cover a large range of singlet decay lengths, we investigate bounds from Higgs decays into a pair of singlets, considering signatures of invisible decays, displaced and delayed jets, and coupling fits of untagged decays. We examine the generic scalar singlet and the relaxion, and derive a matching as well as qualitative differences between them. For each model, we discuss its natural parameter space and the searches probing it.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

QED with the electron as a very small black-hole-like object

We pursue a simple semi-classical particle-based picture of QED in which the electron is assumed to contain a point massless and chargeless core that interacts with the electromagnetic vacuum in ways that are not dissimilar to the manner in which small black holes may interact with photons. Modifications are made to obtain known properties of the electron including the presence of rest energy, Lamb shift, magnetic moments (both free and bound), charge, Larmor emission, and vacuum polarization. The present study does not provide proofs but is rather an attempt to reverse-engineer the photon-electron and black-hole-electron interaction properties needed to match experimental observations. The ease by which many QED observables can be reproduced suggests further study of the presented framework may be warranted. Future detailed analysis of the exchange of long wavelength Hawking radiation between a pair of small black holes will be of particular interest.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Spread Spectrum Time Domain Reflectometry and Steepest Descent Inversion to Measure Complex Impedance

In this paper, we present a method for estimating complex impedances using reflectometry and a modified steepest descent inversion algorithm. We simulate spread spectrum time domain reflectometry (SSTDR), which can measure complex impedances on energized systems for an experimental setup with resistive and capacitive loads. A parametric function, which includes both a misfit function and stabilizer function, is created. The misfit function is a least squares estimate of how close the model data matches observed data. The stabilizer function prevents the steepest descent algorithm from becoming unstable and diverging. Steepest descent iteratively identifies the model parameters that minimize the parametric function. We validate the algorithm by correctly identifying the model parameters (capacitance and resistance) associated with simulated SSTDR data, with added 3 dB white Gaussian noise. With the stabilizer function, the steepest descent algorithm estimates of the model parameters are bounded within a specified range. Furthermore, the errors for capacitance (220pF to 820pF) and resistance (50 Ω to 270 Ω) are < 10%, corresponding to a complex impedance magnitude |R +1/jωC| of 53 Ω to 510 Ω.

14 SOLAR ENERGY↗
DOE OSTI2021

Linking optical spectra to free charges in donor/acceptor heterojunctions: cross-correlation of transient microwave and optical spectroscopy

The primary photoexcited species in excitonic semiconductors is a bound electron–hole pair, or exciton. An important strategy for producing separated electrons and holes in photoexcited excitonic semiconductors is the use of donor/acceptor heterojunctions, but the degree to which the carriers can escape their mutual Coulomb attraction is still debated for many systems. Here, we employ a combined pump–probe ultrafast transient absorption (TA) spectroscopy and time-resolved microwave conductivity (TRMC) study on a suite of model excitonic heterojunctions consisting of mono-chiral semiconducting single-walled carbon nanotube (s-SWCNT) electron donors and small-molecule electron acceptors. Comparison of the charge-separated state dynamics between TA and TRMC photoconductance reveals a quantitative match over the 0.5 microsecond time scale. Charge separation yields derived from TA allow extraction of s-SWCNT hole mobilities of ca. 1.5 cm 2 V -1 s -1 (at 9 GHz) by TRMC. We find that the correlation between the techniques conclusively demonstrates that photoinduced charge carriers separated across these heterojunctions do not form bound charge transfer states, but instead form free/mobile charge carriers.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Local Versus Global Distances for Zigzag and Multi-Parameter Persistence Modules

In this paper, we establish explicit and broadly applicable relationships between persistence-based distances computed locally and globally. In particular, we show that the bottleneck distance and the Wasserstein distance between two zigzag persistence modules restricted to an interval is always bounded above by the distance between the unrestricted versions. While this result is not surprising, it could have potential practical implications. We give two related applications for metric graph distances, as well as an extension for the matching distance between multi-parameter persistence modules.

persistent homology, metric graph, inequality↗
DOE OSTI2025

Spin-dependent scattering of sub-GeV dark matter: Models and constraints

We calculate the scattering rate of sub-GeV dark matter in solid-state targets for spin-dependent dark matter–nucleon interactions. For dark matter particles with mass below 100 MeV, the scattering occurs predominantly through incoherent phonon production. For dark matter heavier than 100 MeV, we match onto the nuclear recoil calculation. To compare the sensitivity of future direct detection experiments with existing constraints, we consider three models with interactions that are mediated by spin-0 or spin-1 particles. This allows us to derive bounds on the cross section from searches for the mediating particle, including bounds from stellar cooling, beam dump experiments, meson factories, and dark matter self-interactions. The existing bounds are very stringent, though for 𝑚 𝜒 ≳100 MeV there is parameter space, which may be accessible with direct detection, depending on the exposure and background rates.

Gori, Stefania [University of California, Santa Cr↗
DOE OSTI2019

Multimessenger asteroseismology of core-collapse supernovae

In this work we investigate correlated gravitational wave and neutrino signals from rotating core-collapse supernovae with simulations. Using an improved mode identification procedure based on mode function matching, we show that a linear quadrupolar mode of the core produces a dual imprint on gravitational waves and neutrinos in the early post-bounce phase of the supernova. The angular harmonics of the neutrino emission are consistent with the mode energy around the neutrinospheres, which points to a mechanism for the imprint on neutrinos. Thus, neutrinos carry information about the mode amplitude in the outer region of the core, whereas gravitational waves probe deeper in. We also find that the best-fit mode function has a frequency bounded above by ~420 Hz , and yet the mode’s frequency in our simulations is ~15 % higher, due to the use of Newtonian hydrodynamics and a widely used pseudo-Newtonian gravity approximation. This overestimation is particularly important for the analysis of gravitational wave detectability and asteroseismology, pointing to limitations of pseudo-Newtonian approaches for these purposes, possibly even resulting in excitation of incorrect modes. In addition, mode frequency matching (as opposed to mode function matching) could be resulting in mode misidentification in recent work. Lastly, we evaluate the prospects of a multimessenger detection of the mode using current technology. The detection of the imprint on neutrinos is most challenging, with a maximum detection distance of ~ 1 kpc using the IceCube Neutrino Observatory. The maximum distance for detecting the complementary gravitational wave imprint is ~ 5 kpc using Advanced LIGO at design sensitivity.

79 ASTRONOMY AND ASTROPHYSICS↗