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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Scalable GPS Data Logging To Support Advanced Fleet Analysis

This highlight details the key takeaways from a project that utilized NLR's Fleet Research, Energy Data, and Insights (FleetREDI) data analysis pipeline. National Laboratory of the Rockies researchers developed and demonstrated low-cost, open-source Arduino data loggers with 3D-printed cases that are compatible with global navigational systems and built with components available ubiquitously worldwide, enabling cost-effective collection and analysis of fleet operational data. Validated on an overseas transit bus fleet, NLR analysis showed that, with sufficient charging opportunities, 90% of observed duty cycles could be accomplished by electric buses with no modifications to operations.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Measurement of inclusive charged-particle b-jet production in pp and p-Pb collisions at $\sqrt{s_{\mathrm{NN}}}$ = 5.02 TeV

A measurement of the inclusive b-jet production cross section is presented in pp and p-Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV, using data collected with the ALICE detector at the LHC. The jets were reconstructed in the central rapidity region |η| < 0.5 from charged particles using the anti-k T algorithm with resolution parameter R = 0.4. Identification of b jets exploits the long lifetime of b hadrons, using the properties of secondary vertices and impact parameter distributions. The p T -differential inclusive production cross section of b jets, as well as the corresponding inclusive b-jet fraction, are reported for pp and p-Pb collisions in the jet transverse momentum range 10 ≤ p T,ch jet ≤ 100 GeV/c, together with the nuclear modification factor, $R^{b-jet}_{pPb}$. The analysis thus extends the lower p T limit of b-jet measurements at the LHC. The nuclear modification factor is found to be consistent with unity, indicating that the production of b jets in p-Pb at $\sqrt{s_{NN}}$ = 5.02 TeV is not affected by cold nuclear matter effects within the current precision. The measurements are well reproduced by POWHEG NLO pQCD calculations with PYTHIA fragmentation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Simulations of crack extensions in arc-shaped tension specimens of uncharged and hydrogen-charged 21-6-9 austenitic stainless steels using cohesive zone modeling with varying cohesive parameters

Crack extensions in uncharged and hydrogen-charged side-grooved A(T) specimens of conventionally forged 21-6-9 austenitic stainless steels are simulated using the cohesive zone modeling approach. Two-dimensional plane strain finite element analyses with fixed cohesive parameters are first conducted to fit the experimental load-displacement curves. Similar analyses using varying cohesive parameters as functions of the crack extension are then conducted to fit the experimental load-crack extension and crack extension-displacement curves. The computational results with varying cohesive parameters can fit very well the experimental data. The computational results also indicate that the average cohesive energy for the hydrogen-charged A(T) specimen is lower than that for the uncharged A(T) specimen.

42 ENGINEERING↗
DOE OSTI2024

Search for $CP$ violation in D$^0$$\to$ K$^0_\mathrm{S}$K$^0_\mathrm{S}$ decays in proton-proton collisions at $\sqrt{s}$ = 13 TeV

A search is reported for charge-parity $CP$ violation in D$^0$$\to$ K$^0_\mathrm{S}$K$^0_\mathrm{S}$ decays, using data collected in proton-proton collisions at $\sqrt{s}$ = 13 TeV recorded by the CMS experiment in 2018. The analysis uses a dedicated data set that corresponds to an integrated luminosity of 41.6 fb$^{-1}$, which consists of about 10 billion events containing a pair of b hadrons, nearly all of which decay to charm hadrons. The flavor of the neutral D meson is determined by the pion charge in the reconstructed decays D$^{*+}$$\to$ D$^0\pi^+$ and D$^{*-}$$\to$ D$^0\pi^-$. The $CP$ asymmetry in D$^0$$\to$ K$^0_\mathrm{S}$K$^0_\mathrm{S}$ is measured to be $A_{CP}$(K$^0_\mathrm{S}$K$^0_\mathrm{S}$) = (6.2 $\pm$ 3.0 $\pm$ 0.2 $\pm$ 0.8)%, where the three uncertainties represent the statistical uncertainty, the systematic uncertainty, and the uncertainty in the measurement of the $CP$ asymmetry in the D$^0$ $\to$ K$^0_\mathrm{S}\pi^+\pi^-$ decay. This is the first $CP$ asymmetry measurement by CMS in the charm sector as well as the first to utilize a fully hadronic final state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Adaptive machine learning for time-varying systems: low dimensional latent space tuning

Machine learning (ML) tools such as encoder-decoder convolutional neural networks (CNN) can represent incredibly complex nonlinear functions which map between combinations of images and scalars. For example, CNNs can be used to map combinations of accelerator parameters and images which are 2D projections of the 6D phase space distributions of charged particle beams as they are transported between various particle accelerator locations. Despite their strengths, applying ML to time-varying systems, or systems with shifting distributions, is an open problem, especially for large systems for which collecting new data for re-training is impractical or interrupts operations. Particle accelerators are one example of large time-varying systems for which collecting detailed training data requires lengthy dedicated beam measurements which may no longer be available during regular operations. We present a novel method of adaptive ML for time-varying systems. Our approach is to map very high (N ≈ 100k) dimensional inputs (a combination of scalar parameters and images) into the low dimensional (N ≈ 2) latent space at the output of the encoder section of an encoder-decoder CNN. We then actively tune the low dimensional latent space-based representation of complex system dynamics by the addition of an adaptively tuned feedback vector directly before the decoder sections builds back up to our image-based high-dimensional phase space density representations. This method allows us to learn correlations within and to quickly tune the characteristics of incredibly large parameter space systems and to track their evolution in real time based on feedback without massive new data sets for re-training. We demonstrate that our method can accurately predict and track the phase space of charged particle beams at various locations in a particle accelerator by adaptively adjusting in real-time while the unknown input beam distribution of the accelerator is changing in shape, charge, and offset and while the RF system of the accelerator itself is also changing in an unpredictable way. For FACET-II we demonstrate that such an approach has the potential to use transverse deflecting cavity and energy spread spectrum beam measurements to accurately predict 2D projections of the 6D phase space of the electron beam at the plasma wakefield acceleration interaction point where such diagnostics are unavailable.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Modeling of particle transport, neutrals and radiation in magnetically-confined plasmas with Aurora

In this work, we present Aurora, an open-source package for particle transport, neutrals and radiation modeling in magnetic confinement fusion plasmas. Aurora's modern multi-language interface enables simulations of 1.5D impurity transport within high-performance computing frameworks, particularly for the inference of particle transport coefficients. A user-friendly Python library allows simple interaction with atomic rates from the Atomic Data and Atomic Structure database as well as other sources. This enables a range of radiation predictions, both for power balance and spectroscopic analysis. We discuss here the superstaging approximation for complex ions, as a way to group charge states and reduce computational cost, demonstrating its wide applicability within the Aurora forward model and beyond. Aurora also facilitates neutral particle analysis, both from experimental spectroscopic data and other simulation codes. Leveraging Aurora's capabilities to interface SOLPS-ITER results, we demonstrate that charge exchange is unlikely to affect the total radiated power from the ITER core during high performance operation. Finally, we describe the ImpRad module in the one modeling framework for integrated task framework, developed to enable experimental analysis and transport inferences on multiple devices using Aurora.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Instrumental uncertainties in radiative corrections for the MUSE experiment

The MUSE experiment at the Paul Scherrer Institute is measuring elastic lepton-proton scattering cross sections in a four-momentum transfer range from Q 2 of approximately 0.002–0.08 GeV 2 using positively and negatively charged electrons and muons. The extraction of the Born cross sections from the experimental data requires radiative corrections. Estimates of the instrumental uncertainties in those corrections have been made using the ESEPP event generator. The results depend in particular on the minimum lepton momentum that contributes to the experimental cross section and the fraction of events with hard initial-state radiation that is detected in the MUSE calorimeter and is excluded from the data. Furthermore, these results show that the angular-dependent instrumental uncertainties in radiative corrections to the electron cross section are less than 0.4% and are negligible for the muon cross section.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Physics-Based Model to Represent Membrane-Electrode Assemblies of Solid-Oxide Fuel Cells Based on Gadolinium-Doped Ceria

This paper reports a physics-based model that predicts membrane-electrode assembly (MEA) performance of solid-oxide fuel cells (SOFCs) with Ce 0.9 Gd 0.1 O 2− δ (GDC10) electrolyte membranes. The paper derives self-consistent thermodynamic and transport properties for GDC1o mobile charged defects (oxide vacancies and reduced-ceria small polarons) by fitting published measurements of oxygen non-stoichiometry and conductivity over ranges of temperature and O 2 partial pressures. The button-cell model is applied to evaluate how mixed ionic-electronic conductivity influences the performance of an SOFC MEA with a GDC10 electrolyte sandwiched between a porous, composite Ni-GDC10 anode and a porous, composite cathode of Sm 0.5 Sr 0.5 CoO 3− δ (i.e., SSC) and GDC10. SSC properties are also derived by fitting published conductivity and oxygen non-stoichiometry measurements. Mixed conductivity of GDC10 and competing charge transfer reactions at both electrodes reduce open circuit voltages due to leakage current and buildup of defect concentrations at electrode-electrolyte interfaces. To fit polarization data, the button-cell model includes heterogeneous reaction rates for defect incorporation on the GDC10 surface along with Butler–Volmer expressions derived for competing charge transfer reaction rates from rigorous analyses assuming rate-limiting, elementary charge transfer reactions for each electrode. The calibrated MEA model can support rigorous SOFC modeling with GDC10 electrolytes over the range of conditions within a fully operating cell.

Electrochemistry↗
DOE OSTI2025

High and Ultra-High Temperature Reaction Kinetics by Single Nanoparticle Mass Spectrometry

Methodology is presented for non-destructive, optically-detected single nanoparticle (NP) mass spectrometry, with the goal of extracting surface reaction kinetics for single NPs at high temperatures. Methods for determining the NP charge, mass, and temperature as a function of time are discussed, and the data are used to extract both the absolute kinetics for mass change, as well as the efficiencies of the surface processes that cause them. Factors that contribute to the uncertainties in absolute and relative mass determination, and in the resulting kinetic parameters, are discussed. The method allows the NP-to-NP variations in initial reactivity to be measured directly, along with the time evolution of reactivity resulting from NP structural/compositional changes that occur under reaction conditions. The strengths and limitations of single nanoparticle mass spectrometry as a high temperature surface kinetics tool are discussed in the context of sublimation and O2 oxidation kinetics experiments for single hafnium (Hf) NPs at temperatures ranging above 2400 K. The Hf oxidation kinetics are compared to analogous oxidation experiments for silicon, graphite, and carbon black NPs. In all four cases, the oxidation chemistry was dominated by processes that result in net mass loss, and the distinct mechanisms responsible are discussed. All four NPs also eventually passivated, i.e., the efficiencies for oxidative etching decreased by at least two orders of magnitude, relative to the initial efficiencies. Furthermore, the passivation mechanisms, which are quite different for carbon, compared to silicon or hafnium, are discussed. Carbon NP passivation is attributed to structural isomerization leading to fully coordinated, fullerene-like NP surfaces, while for silicon and hafnium, passivation results from delayed formation of an oxide layer, triggered by accumulation of oxygen in the NP sub-surface region.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Exploration of mass splitting and muon/tau mixing parameters for an eV-scale sterile neutrino with IceCube

We present the first three-parameter fit to a 3+1 sterile neutrino model using 7.634 years of data from the IceCube Neutrino Observatory on $ν$ μ + $\overline{ν}$ μ charged-current interactions in the energy range 500–9976 GeV. Our analysis is sensitive to the mass-squared splitting between the heaviest and lightest mass state (Δm$^{2}_{41}$), the mixing matrix element connecting muon flavor to the fourth mass state (|U μ4 | 2 ), and the element connecting tau flavor to the fourth mass state (|U $\tau$4 | 2 ). Predicted propagation effects in matter enhance the signature through a resonance as atmospheric neutrinos from the Northern Hemisphere traverse the Earth to the IceCube detector at the South Pole. The remaining sterile neutrino matrix elements are left fixed, with |U e4 | 2 = 0 and δ 14 = 0, as they have a negligible effect, and δ 24 = π is set to give the most conservative limits. The result is consistent with the no-sterile neutrino hypothesis with a probability of 4.3%. Profiling the likelihood of each parameter yields the 90% confidence levels: 2.4eV 2 < Δm$^{2}_{41}$) < 9.6eV 2 , 0.0081< |U μ4 | 2 < 0.10, and |U $\tau$4 | 2 < 0.035, which narrows the allowed parameter-space for |U $\tau$4 | 2 . However, the primary result of this analysis is the first map of the 3+1 parameter space exploring the interdependence of Δm$^{2}_{41}$, |U μ4 | 2 , and |U $\tau$4 | 2 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Crystalline Si Surface Passivation with Nafion for Bulk Defects Detection with Electron Paramagnetic Resonance

Here, in monocrystalline Si (c-Si) solar cells, identification and mitigation of bulk defects are crucial to achieving a high photoconversion efficiency. To spectroscopically detect defects in the c-Si bulk, it is desirable to passivate the surface defects. Passivation of the c-Si surface with dielectrics such as Al 2 O 3 and SiNx requires deposition at elevated temperatures, which can influence defects in the bulk. Herein, we report on the passivation of different Czochralski (Cz) Si wafer surfaces by an organic copolymer, Nafion. We test the efficacy of the surface passivation at temperatures ranging from 6 to 473 K to detect bulk defects using electron paramagnetic resonance (EPR) spectroscopy. By comparing with state-of-the-art passivation layers, including Al 2 O 3 and liquid HF/HCl, we found that at room temperature, Nafion can provide comparable passivation of n-type Cz Si with an implied open-circuit voltage (iV oc ) of 713 mV and a recombination current prefactor J o of 5 fA/cm 2 . For p-type Cz Si, we obtained an iV oc of 682 mV with a J o of 22.4 fA/cm 2 . Scanning electron microscopy and photoluminescence reveal that Nafion can also be used to passivate the surface of c-Si solar cell fragments scribed from a solar cell module by using a laser. Consistent with previous studies, analysis of the EPR spectroscopy data confirms that the H-terminated surface is necessary, and fixed negative charge in Nafion is responsible for the field-effect passivation. While the surface passivation quality was maintained for almost 24 h, which is sufficient for spectroscopic measurements, the passivation degraded over longer durations, which can be attributed to surface SiO x growth. These results show that Nafion is a promising room-temperature surface passivation technique to study bulk defects in c-Si.

14 SOLAR ENERGY↗
DOE OSTI2025

Tetracene Functionalized Si(111) Achieves Enhanced Solar-to-Chemical Energy Conversion via Molecular Acceptor States

The properties of semiconductor|liquid interfaces play a critical role in determining the efficiency of solar-to-hydrogen (STH) conversion. Here, we investigate how molecular functionalization of Si(111) and Si(111)|TiO 2 surfaces impacts photoelectrochemical (PEC) hydrogen production efficiency. We find that functionalization of ∼3% of the atop sites of Si(111) with either 9-anthracene (Anth) or 5-tetracene (Tet), with the remaining sites passivated by methyl groups, provides substrates with high electronic quality and low surface oxide densities, as determined by X-ray photoelectron spectroscopy (XPS) measurements. Surface photovoltage (SPV) spectroscopy shows that surfaces modified with Anth or Tet exhibit an increased photovoltage, with Tet-functionalized surfaces yielding an additional 192 meV relative to methyl-terminated Si(111), indicating improved charge separation for Si-Tet. Further improvement in onset potential was achieved by replacing a nitrogen-containing TiO 2 atomic layer deposition (ALD) precursor (TDMAT) with a precursor lacking nitrogen (TTIP), which eliminates the parasitic defect band in the TiO 2 overlayer (p-Si(111)-Tet|TTIP-TiO 2 |Pt: V OC = +0.283 ± 0.041 V vs RHE). Density functional theory (DFT) analysis demonstrates that compared with Anth-modified Si(111), the Tet-modified surface exhibits more hybridized Si(111)-Tet states closer to the silicon band edges. Mercury contact current–voltage (I–V, dark) measurements quantified the relative interfacial density of states of Si-Tet, Si-Anth and Si-Me surfaces─revealing that the interfacial state density was highest for Si-Tet. This suggests that such hybridized interfaces serve to capture better photoexcited charge, which enables facile electron transfer to molecular acceptors in solution. Altogether, the data indicate that beneficial hybrid molecular LUMO surface states interacting with the Si conduction band edge results in improved hydrogen evolution (HER) performance for p-Si devices.

Group theory↗
DOE OSTI2023

Plasma-assisted deposition and characterization of Al 2 O 3 dielectric layers on (001) β -Ga 2 O 3

In this work, we have investigated plasma-assisted deposition of Al 2 O 3 on HVPE (001) β-Ga 2 O 3 and evaluated the dielectric quality from electrical measurements on fabricated metal-oxide-semiconductor (MOS) capacitors. The interface structure and crystallinity of the films were investigated as a function of the growth temperature. The dielectric/semiconductor interfaces were found to have reverse breakdown electric fields up to 5.3 MV/cm in the β-Ga 2 O 3 , with relatively low hysteresis in capacitance–voltage and low leakage current. We determined a negative fixed interface charge density at the interface from analysis of thickness-dependent capacitance voltage data. In conclusion, this study shows the advantage of using plasma-assisted deposition to achieve high breakdown strength Al 2 O 3 /β-Ga 2 O 3 MOS structures for device application purposes.

42 ENGINEERING↗
DOE OSTI2024

How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?

Recently developed locally scaled self-interaction correction (LSIC) is a one-electron SIC method that, when used with a ratio of kinetic energy densities (z σ ) as iso-orbital indicator, performs remarkably well for both thermochemical properties as well as for barrier heights overcoming the paradoxical behavior of the well-known Perdew–Zunger self-interaction correction (PZSIC) method. In this work, we examine how well the LSIC method performs for the delocalization error. Our results show that both LSIC and PZSIC methods correctly describe the dissociation of $H$$^{+}_{2}$ and $H$$^{+}_{2}$ but LSIC is overall more accurate than the PZSIC method. Likewise, in the case of the vertical ionization energy of an ensemble of isolated He atoms, the LSIC and PZSIC methods do not exhibit delocalization errors. For the fractional charges, both LSIC and PZSIC significantly reduce the deviation from linearity in the energy vs number of electrons curve, with PZSIC performing superior for C, Ne, and Ar atoms while for Kr they perform similarly. The LSIC performs well at the endpoints (integer occupations) while substantially reducing the deviation. The dissociation of LiF shows both LSIC and PZSIC dissociate into neutral Li and F but only LSIC exhibits charge transfer from Li + to F – at the expected distance from the experimental data and accurate ab initio data. Overall, both the PZSIC and LSIC methods reduce the delocalization errors substantially.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Characterization and QC practice of 16-channel ADC ASIC at cryogenic temperature for Liquid Argon TPC front-end readout electronics system in DUNE experiment

ColdADC is a low-noise 16-channel analog-to-digital converter ASIC designed for cold readout electronics of Liquid Argon Time Projection Chambers (LArTPCs) in the Deep Underground Neutrino Experiment (DUNE). ColdADC was specifically designed for operation at cryogenic temperatures (77 K–89 K). Cold electronics is considered to be an enabling technology for liquid argon detectors in neutrino experiments. The main function of the chip is to digitize signals from the 16-channel charge-sensitive amplifier designed at BNL (LArASIC) and send digitized signals to the data aggregator and serializer chip (COLDATA). ColdADC operates with a resolution of 12 bits and a sampling rate of 2 MS/s per channel. A complete characterization of prototype chips was conducted at cryogenic temperature, involving power consumption, noise and linearity performance. In the first DUNE Far-Detector module, 384000 data channels will be read out, corresponding to 24000 ColdADC chips. Therefore, systematic testing of ColdADC chips at cryogenic temperature is vital for the quality and reliability of DUNE Single-Phase modules. We have developed a Quality Control (QC) test stand that includes ColdADC evaluation and characterization at cryogenic temperature. The QC procedure was applied to a first batch of 33 chips, corresponding to 528 data channels. The obtained results meet all the required DUNE specifications for ColdADC. Moreover, the testing outcome allowed us to identify possibilities of performance optimization that are currently being addressed in the design of the next version of the chip. The Quality Control procedure is proved to be successful and will be a reference design for future large-batch production testing of final ColdADC ASICs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Landau theory of the density wave transition in trilayer Ruddlesden-Popper nickelates

This paper presents a Landau treatment of the incommensurate density wave transition observed in trilayer Ruddlesden-Popper nickelates and uses this to address the nature of the transition. Here, the data are consistent with a spin driven transition with the distinct intertwining of charge and spin order due to being in or proximate to the first-order transition region of the Landau phase diagram. From this approach, one also obtains an understanding of the variation of the transition temperature with rare earth size, pressure, and oxygen isotope substitution.

Charge density waves↗
DOE OSTI2026

Search for the production of Higgs-portal scalar bosons in the NuMI beam using the MicroBooNE detector

We present the strongest experimental limits to date on the mixing angle, 𝜃, with which a new scalar particle, 𝑆, mixes with the Higgs field in the mass range 110 MeV < 𝑚 𝑆 <155 MeV. This result uses the MicroBooNE liquid argon time projection chamber to search for decays of these Higgs-portal scalar particles through the 𝑆 → 𝑒 + ⁢𝑒 − channel with the decays of kaons in the NuMI neutrino beam acting as the source of the scalar particles. The analysis uses an exposure of 2.01 × 10 21 protons on target of NuMI beam data including periods when the beam focusing system was configured to focus positively charged hadrons and separate periods when negatively charged hadrons were focused. The analysis searches for scalar particles produced from kaons decaying in flight in the beam’s decay volume and at rest in the target and absorber. At 𝑚 𝑆 =125 MeV (𝑚 𝑆 =150 MeV) we set a limit of 𝜃 < 3.19 ×10 −4 (𝜃 < 2.79 ×10 −4 ) at the 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Mesogenesis through the ephemeral dark decay of Beauty

Mesogenesis provides a path for generating the baryon asymmetry of the Universe, using only the CP violation furnished by the Standard Model in the decay of B mesons. While this is an intriguing possibility, it is largely constrained by the data on B meson branching fractions into baryons and missing energy carried into the dark sector. We point out that it is possible to make this branching fraction dominant only in the early Universe, through an ultralight scalar coupled to the dark sector and the Standard Model leptons. A scenario is examined where the thermal density of muons in the early Universe temporarily lowers the mass of a dark fermion, allowing for efficient B meson decays. This `dark’ decay channel is shut off later when the muon number density falls, making the scenario compatible with flavor data. Our model can be consistent with the LHC constraints on color-charged heavy bosons required to implement Mesogenesis; such states may be discovered in the future runs as their masses cannot be far above the current bounds. We also outline other possible signals, which can arise in future displaced vertex searches, long range force searches, and observations of neutron star binary mergers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗