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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 163 records · Page 9

Enhancing Electron Microscopy Image Classification Using Data Augmentation

Manual labeling for machine learning tasks such as image classification is tedious and labor-intensive; as a result, scientific datasets suitable for deep learning applications are scarce and limited. While data augmentation techniques have shown promise for extending image datasets, very little work has been done to understand the impact of combining multiple augmentation methods sequentially or the limits of their effectiveness when combined. Our work addresses this gap by examining how standard and combinatorial data augmentation affects the performance of machine learning models when trained on small datasets for label classification tasks. For our analysis, we generate single, double and quadruple-augmented datasets for a microscopy image classification task using six standard augmentation methods, and compare the resultant improvements observed in binary classification accuracy with three standard image classification models (DenseNet169, MobileNetV2, ResNet101V2). Our experiments show a non-monotonic relationship between the number of simultaneous augmentation methods and classification accuracy, indicating that there is a trade-off between the degree of augmentation and the model performance. These findings suggest that the optimal number of augmentation methods will vary by domain and use case. We also find that the order in which augmentation methods are applied to a limited dataset matters when combining augmentation schemes, with our use case showing performance differences up to 2.6% when the augmentation order is reversed for double-augmented datasets. Our work offers insights to the limits of data augmentation when working on image classification tasks with limited datasets.

Welsman, Jordan A↗

Inclusive Search for Anomalous Single-Photon Production in MicroBooNE

The MicroBooNE experiment is an 85-ton active volume liquid argon time projection chamber (LArTPC) neutrino detector situated in the Fermilab Booster Neutrino Beam. One of the main goals for MicroBooNE is to investigate the “low energy excess” (LEE) of electromagnetic events observed by the MiniBooNE experiment by leveraging the unique capabilities of the LArTPC technology to distinguish photons from electron electromagnetic showers. In this poster, we present an inclusive search for anomalous production of single-photon events from neutrino interactions in the MicroBooNE experiment, motivated by the MiniBooNE LEE. The analysis uses the Wire-Cell reconstruction framework to select a sample of inclusive single-photon final-state interactions and leverages simultaneous measurements of sidebands to constrain signal and background predictions and reduce uncertainties. We perform a blind analysis using a dataset collected from February 2016 to July 2018 from the Booster Neutrino Beam (BNB) at Fermilab. In the full signal region, we observe agreement between the data and the prediction, with a goodness-of-fit p-value of 0.11. We then isolate a sub-sample of these events containing no visible protons, and observe 93 $/pm$ 22(stat.) $\pm$ 35(syst.) data events above prediction, corresponding to just above 2$\sigma$ local significance, concentrated at shower energies below 600 MeV.

Yandel, Erin [Los Alamos] (ORCID:0000000277123709)↗

Precision e + e − hemisphere masses in the dijet region with power corrections

We derive high-precision results for the e + e − heavy jet mass (HJM) dσ/dρ and dihemisphere mass (DHM) d 2 σ/(ds 1 ds 2 ) distributions, for s 1 ~ s 2 , in the dijet region. New results include: i) the N 3 LL resummation for HJM of large logarithms ln n (ρ) at small ρ including the exact two-loop non-global hemisphere soft function, the 4-loop cusp anomalous dimension and the 3-loop hard and jet functions, ii) N 3 LL results for DHM with resummation of logarithms ln(s 1,2 /Q 2 ) when there is no large separation between s 1 and s 2 , iii) profile functions for HJM to give results simultaneously valid in the peak and tail regions, iv) a complete two-dimensional basis of non-perturbative functions which can be used for double differential observables, that are needed for both HJM and DHM in the peak region, and v) an implementation of renormalon subtractions for large-angle soft radiation to $\mathcal{O}$ (α$^{3}_{s}$) together with a resummation of the additional large ln(Qρ/Λ QCD ) logarithms. Here Q is the e + e − center-of-mass energy. Our resummation results are combined with known fixed-order $\mathcal{O}$ (α$^{3}_{s}$) results and we discuss the convergence and remaining perturbative uncertainty in the cross section. We also prove that, at order 1/Q, the first moment of the HJM distribution involves an additional non-perturbative parameter compared to the power correction that shifts the tail of the spectrum (where 1 ≫ ρ ≫ Λ QCD /Q). This differs from thrust where a single non-perturbative parameter at order 1/Q describes both the first moment and the tail, and it disfavors models of power corrections employing a single non-perturbative parameter, such as the low-scale effective coupling model. In this paper we focus only on the dijet region, not the far-tail distribution for ρ ≳ 0.2 beyond which the trijet factorization and resummation become important.

Factorization↗

Sequential spectral line analysis for accurate density and temperature diagnosis of laboratory opacity measurements

The accuracy of iron opacity calculated in stellar interiors has been questioned since the discovery of the “solar problem” and the discrepancies between the measured and modeled iron opacity reported in 2015. Experimental opacity benchmarks require accurate temperature and density measurements, which were inferred by analyzing tracer magnesium spectra in those experiments. Could the observed discrepancy be explained by insufficient accuracy in the inferred temperature, density, and their uncertainties? Previous analyses may have yielded biased results due to three limitations: (1) simultaneous multi-line fitting, (2) approximations in line-shape models, and (3) exclusion of certain spectral lines due to insufficient background characterization. Notably, the first issue is a common concern for many inversion methods, including Bayesian inferences. We present a refined analysis method that overcomes these limitations, applied to three categories of iron opacity experiments (Anchor 1, 2, and 3). In particular, the sequential fitting method yields unbiased results with more realistic uncertainties by accounting for line inconsistencies in the parameter uncertainties. The average electron temperature and density values are 162 ± 6 eV and (7.0 ± 1.9) × 10 21 cm −3 for six Anchor 1 experiments, 189 ± 7 eV and (3.4 ± 0.3) × 10 22 cm −3 for 21 Anchor 2 experiments, and 201 ± 6 eV and (4.8 ± 1.1) × 10 22 cm −3 for nine Anchor 3 experiments. These results show ∼4% temperature and ∼20% density reproducibility over a decade, which also aligns with the inferred parameter uncertainties. In conclusion, the resulting temperature and density uncertainties lead to a quasi-continuum iron opacity variation of ±4%–7% for wavelengths below 9.5 Å, which is insufficient to explain the significant model-data discrepancies reported in 2015.

Absorption spectroscopy↗

Hund’s flat band in a frustrated spinel oxide

Electronic flat bands associated with quenched kinetic energy and heavy electron mass have attracted great interest for promoting strong electronic correlations and emergent phenomena such as high-temperature charge fractionalization and superconductivity. Intense experimental and theoretical research has been devoted to establishing the rich nontrivial metallic and heavy fermion phases intertwined with such localized electronic states. Here, in this study, we investigate the transition metal oxide spinel LiV 2 O 4 , an enigmatic heavy fermion compound lacking localized f orbital states. We use angle-resolved photoemission spectroscopy and dynamical mean-field theory to reveal a kind of correlation-induced flat band with suppressed interatomic electron hopping arising from intra-atomic Hund’s coupling. The appearance of heavy quasiparticles is ascribed to a proximate orbital-selective Mott state characterized by fluctuating local moments as evidenced by complementary magnetotransport measurements. The spectroscopic fingerprints of long-lived quasiparticles and their disappearance with increasing temperature further support the emergence of a high-temperature “bad” metal state observed in transport data. This work resolves a long-standing puzzle on the origin of heavy fermion behavior and unconventional transport in LiV 2 O 4 . Simultaneously, it opens a path to achieving flat bands through electronic interactions in d-orbital systems with geometrical frustration, potentially enabling the realization of exotic phases of matter such as the fractionalized Fermi liquids.

36 MATERIALS SCIENCE↗

Dynamic entity formed by protein and its hydration water

The interaction between protein and water plays a pivotal role in shaping the structure, dynamics, and function of biomacromolecules. A comprehensive understanding of this intricate interplay necessitates a systematic evaluation of interaction strength and its consequential impact on the dynamics of proteins and water across diverse protein systems. Despite numerous works on understanding the dynamics of water and proteins and the coupling between them, there are still unanswered questions. Here, we combine neutron scattering and isotope labeling to probe the dynamics of proteins and their hydration water in a variety of protein systems. We consider proteins of different structures and varying thermostability as well as proteins within living cells with distinct growth temperatures. Simultaneous characterization of protein and hydration water dynamics across diverse systems was achieved. Moreover, we performed water sorption isothermal measurements on three representative proteins to correlate the observed dynamics with the strength of the interaction energies governing each system. The experimental results underscore that proteins manifesting stronger attractive interactions with water display diffusionlike dynamics with higher flexibility upon hydration, concomitant with a reduced mobility in hydration water. Significantly, our findings suggest that, in fact, it is the interaction between protein and its hydration water that facilitates the transfer of mobility from water to protein, with stronger interactions correlating to greater protein flexibility and slower hydration water diffusion. Published by the American Physical Society 2024

Ye, Yongfeng (ORCID:0009000792374198)↗

Voltage-induced modulation of interfacial ionic liquids measured using surface plasmon resonant grating nanostructures

We have used surface plasmon resonant metal gratings to induce and probe the dielectric response (i.e., electro-optic modulation) of ionic liquids (ILs) at electrode interfaces. Here, the cross-plane electric field at the electrode surface modulates the refractive index of the IL due to the Pockels effect. This is observed as a shift in the resonant angle of the grating (i.e., Δϕ), which can be related to the change in the local index of refraction of the electrolyte (i.e., Δnlocal). The reflection modulation of the IL is compared against a polar (D2O) and a non-polar solvent (benzene) to confirm the electro-optic origin of resonance shift. The electrostatic accumulation of ions from the IL induces local index changes to the gratings over the extent of electrical double layer (EDL) thickness. Finite difference time domain simulations are used to relate the observed shifts in the plasmon resonance and change in reflection to the change in the local index of refraction of the electrolyte and the thickness of the EDL. Simultaneously using the wavelength and intensity shift of the resonance enables us to determine both the effective thickness and Δn of the double layer. We believe that this technique can be used more broadly, allowing the dynamics associated with the potential-induced ordering and rearrangement of ionic species in electrode–solution interfaces.

Chemistry↗

Exploring the partonic collectivity in small systems at energies available at the CERN Large Hadron Collider

Using the Hydro-Coal-Frag model that combines hydrodynamics at low p T , quark coalescence at intermediate p T , and the LBT transport model at high p T , we study the spectra and elliptic flow of identified hadrons in high multiplicity p–Pb and p–p collisions at the CERN Large Hadron Collider (LHC). In p–Pb collisions, the Hydro-Coal-Frag model gives a good description of the differential elliptic flow over the p T range from 0 to 6 GeV and the approximate number of constituent quark (NCQ) scaling at intermediate p T . Although the Hydro-Coal-Frag model can also roughly describe the elliptic flow in high multiplicity p–p collisions with the quark coalescence process, the larger contribution from the string fragmentations leads to a notable violation of the NCQ scaling of v 2 at intermediate p T as observed in the experiment. Comparison runs of the Hydro-Frag model without the coalescence process demonstrate that regardless the parameter adjustments, the Hydro-Frag model cannot simultaneously describe the p T spectra and the elliptic flow of identified hadrons in either p–Pb collisions or p–p collisions. In conclusion, the calculations in this paper thus provide support for the existence of partonic degrees of freedom and the possible formation of the QGP in the small systems created at the LHC.

Wang, Yuanyuan [Peking University, Beijing (China)↗

Inclusive Search for Anomalous Single-Photon Production in MicroBooNE

We present an inclusive search for anomalous production of single-photon events from neutrino interactions in the MicroBooNE experiment. The search and its signal definition are motivated by the previous observation of a low-energy excess of electromagnetic shower events from the MiniBooNE experiment. We use the Wire-Cell reconstruction framework to select a sample of inclusive single-photon final-state interactions with a final efficiency and purity of 7.0% and 40.2%, respectively. We leverage simultaneous measurements of sidebands of charged current 𝜈 𝜇 interactions and neutral current interactions producing 𝜋 0 mesons to constrain signal and background predictions and reduce uncertainties. We perform a blind analysis using a dataset collected from February 2016 to July 2018, corresponding to an exposure of 6.34 × 10 20 protons on target from the Booster Neutrino Beam at Fermilab. In the full signal region, we observe agreement between the data and the prediction, with a goodness-of-fit 𝑝 value of 0.11. We then isolate a subsample of these events containing no visible protons, and observe 93 ± 22⁢(stat) ±35⁢(syst) data events above prediction, corresponding to just above 2⁢𝜎 local significance, concentrated at shower energies below 600 MeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

tLaSDI: Thermodynamics-informed latent space dynamics identification

Here we propose a latent space dynamics identification method, namely tLaSDI, that embeds the first and second principles of thermodynamics. The latent variables are learned through an autoencoder as a nonlinear dimension reduction model. The latent dynamics are constructed by a neural network-based model that precisely preserves certain structures for the thermodynamic laws through the GENERIC formalism. An abstract error estimate is established, which provides a new loss formulation involving the Jacobian computation of autoencoder. The autoencoder and the latent dynamics are simultaneously trained to minimize the new loss. Computational examples demonstrate the effectiveness of tLaSDI, which exhibits robust generalization ability, even in extrapolation. In addition, an intriguing correlation is empirically observed between a quantity from tLaSDI in the latent space and the behaviors of the full-state solution.

97 MATHEMATICS AND COMPUTING↗

Thermodynamics-informed latent space dynamics identification

This software showcases a latent space dynamics identification method, namely tLaSDI, that embeds the first and second principles of thermodynamics. The latent variables are learned through an autoencoder as a nonlinear dimension reduction model. The latent dynamics are constructed by a neural network-based model that precisely preserves certain structures for the thermodynamic laws through the GENERIC formalism. An abstract error estimate is established, which provides a new loss formulation involving the Jacobian computation of autoencoder. The autoencoder and the latent dynamics are simultaneously trained to minimize the new loss. Computational examples demonstrate the effectiveness of tLaSDI, which exhibits robust generalization ability, even in extrapolation. In addition, an intriguing correlation is empirically observed between a quantity from tLaSDI in the latent space and the behaviors of the full-state solution.

Cheung, Siu Wun↗

A miniaturized feedstocks-to-fuels pipeline for screening the efficiency of deconstruction and microbial conversion of lignocellulosic biomass

Sustainably grown biomass is a promising alternative to produce fuels and chemicals and reduce the dependency on fossil energy sources. However, the efficient conversion of lignocellulosic biomass into biofuels and bioproducts often requires extensive testing of components and reaction conditions used in the pretreatment, saccharification, and bioconversion steps. This restriction can result in a significant and unwieldy number of combinations of biomass types, solvents, microbial strains, and operational parameters that need to be characterized, turning these efforts into a daunting and time-consuming task. Here we developed a high-throughput feedstocks-to-fuels screening platform to address these challenges. The result is a miniaturized semi-automated platform that leverages the capabilities of a solid handling robot, a liquid handling robot, analytical instruments, and a centralized data repository, adapted to operate as an ionic-liquid-based biomass conversion pipeline. The pipeline was tested by using sorghum as feedstock, the biocompatible ionic liquid cholinium phosphate as pretreatment solvent, a “one-pot” process configuration that does not require ionic liquid removal after pretreatment, and an engineered strain of the yeast Rhodosporidium toruloides that produces the jet-fuel precursor bisabolene as a conversion microbe. By the simultaneous processing of 48 samples, we show that this configuration and reaction conditions result in sugar yields (~70%) and bisabolene titers (~1500 mg/L) that are comparable to the efficiencies observed at larger scales but require only a fraction of the time. We expect that this Feedstocks-to-Fuels pipeline will become an effective tool to screen thousands of bioenergy crop and feedstock samples and assist process optimization efforts and the development of predictive deconstruction approaches.

09 BIOMASS FUELS↗

GALIC: hybrid multi-qubitwise pauli grouping for quantum computing measurement

Abstract Observable estimation is a core primitive in NISQ-era algorithms targeting quantum chemistry applications. To reduce the state preparation overhead required for accurate estimation, recent works have proposed various simultaneous measurement schemes to lower estimator variance. Two primary grouping schemes have been proposed: full commutativity (FC) and qubit-wise commutativity (QWC), with no compelling means of interpolation. In this work we propose a generalized framework for designing and analyzing context-aware hybrid FC/QWC commutativity relations. We use our framework to propose a noise-and-connectivity aware grouping strategy: Generalized backend-Aware pauLI Commutation (GALIC). We demonstrate how GALIC interpolates between FC and QWC, maintaining estimator accuracy in Hamiltonian estimation while lowering variance by an average of 20% compared to QWC. We also explore the design space of near-term quantum devices using the GALIC framework, specifically comparing device noise levels and connectivity. We find that error suppression has a more than 10 × larger impact on device-aware estimator variance than qubit connectivity with even larger correlation differences in estimator biases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Exploring composition mixing in kilonova ejecta with ray-by-ray simulations

Binary neutron star merger (BNSM) ejecta are considered a primary repository of r-process nucleosynthesis and a source of the observed heavy-element abundances. We implement composition mixing into ray-by-ray radiation-hydrodynamic simulations of BNSM ejecta, coupled with an online nuclear network (NN). We model mixing via a gradient-based mixing approximation that evolves simultaneously with the hydrodynamics. Here, we find that mixing occurs in regions where the electron fraction changes rapidly. While mixing smooths composition gradients in transition regions, it has a negligible impact on the heavy-element yields. This is because the primary r-process site (the equatorial ejecta) is initially homogeneous in free neutrons, leaving no strong gradients for mixing to act upon. In each angular ray, the abundances of the most produced elements are robust under mixing, while the less abundant ones are more affected. The total global abundances change only slightly from mixing, since each angular ray contributes its most abundant elements. Furthermore, the predicted kilonova light curves show only minor reddening, with differences below the detectability of state-of-the-art telescopes. In general, we do not observe significant effects from mixing in the time span of the r-process. Consequently, mixing only leads to minor variations in abundances and light curves in ray-by-ray simulations.

Explosive burning↗

Phase-field modeling of diffusion bonding in 316H stainless steel: Impact of processing conditions on grain morphology and bonding quality

A novel multi-phase, multi-component phase‐field model is presented to study the diffusion bonding of 316H stainless steel. Combined with targeted experimental investigations, this model simulates the bond-growth process and predicts the bonding quality. Unlike previous models, our approach captures the simultaneous evolution of voids and grain structures, while quantifying bonding quality using defined bonding ratio. A comprehensive analysis of bond process control is performed by changing temperature, pressure and surface roughness observing the resulting bond structure, which is consistent with experimental observations and analytical predictions. Temperature is determined to be the dominant factor, with the transition from a flat to a robust bond occurring between 1000 °C and 1050 °C. At the ideal bonding temperature of 1050 °C, a surface roughness exceeding 0.6 μm or an applied stress below 4 MPa results in poor bonding quality. Beyond this, higher pressures and smoother surfaces reduce void size, accelerate void shrinkage, and lead to improved bond integrity. This diffuse-interface model can be extended to other material systems if supplied with appropriate thermodynamic and kinetic data. In conclusion, this makes it an effective modeling platform for optimizing high-temperature diffusion bonding and developing reliable bonded components such as compact heat exchangers.

Diffusion bonding↗

Low-threshold response of a scintillating xenon bubble chamber to nuclear and electronic recoils

A device filled with pure xenon first demonstrated the ability to operate simultaneously as a bubble chamber and scintillation detector in 2017. Initial results from data taken at thermodynamic thresholds down to ∼4 keV showed sensitivity to ∼20 keV nuclear recoils with no observable bubble nucleation by 𝛾-ray interactions. Here, this paper presents results from further operation of the same device at thermodynamic thresholds as low as 0.50 keV, hardware limited. The bubble chamber has now been shown to have sensitivity to ∼1 keV nuclear recoils while remaining insensitive to bubble nucleation by 𝛾-rays. A data-driven calibration of the chamber’s nuclear recoil nucleation response, as a function of nuclear recoil energy and thermodynamic state, is presented. Stringent upper limits are established for the probability of bubble nucleation by 𝛾-ray-induced Auger cascades, with a limit of <1.1 ×10 −6 set at 0.50 keV, the lowest thermodynamic threshold explored.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Understanding the ignition process and flame structure of conventional and oxygenated fuels under engine relevant conditions – An optical study

Renewably generated synthetic fuels such as poly-oxymethylene ethers (OME) have a significant potential to effectively break the soot-NOX trade-off in compression ignition engines by using exhaust gas recirculation (EGR) to maintain low nitrogen oxide (NOX) emissions while maintaining good efficiency and simultaneously contributing to circular carbon economy. However, owing to the fundamental differences in properties of OME when compared to fossil-based diesel fuels, it is critical to fully understand its ignition and combustion phenomenology to take advantage of this fuel to its utmost potential. In this context, this work outlines the results of a systematic experimental study performed in a heavy-duty, single-cylinder, optical engine probing the spatial and temporal progression of fuel decomposition and ignition behavior of OME when compared to n-dodecane, a diesel-fuel surrogate. Thermodynamic analysis and optical diagnostics techniques including simultaneous HCHO-PLIF and OH-PLIF complemented by high-speed OH* chemiluminescence were employed along with parametric sweeps of intake temperature and EGR dilution rates. OME does not exhibit any observable low temperature heat release irrespective of the ambient oxygen concentration. Differences in the observed diffusive flame structure such as longer flame lift-off length, less pronounced combustion recession, faster premixed burn at ignition (“volumetric” ignition), non-sooting behavior suggest that the inherent presence of fuel-bound oxygen in OME can skew the air-fuel ratio (AFR) distribution within the jet thereby reducing the reliance of combustion on mixing and air entrainment. This leads to rapid late-cycle oxidation leading to shorter combustion duration and favorable combustion phasing. Results also suggest that OME exhibits relatively weak negative temperature coefficient (NTC) behavior, however, the OME fuel-decomposition kinetic-pathways produce significant concentration of HCHO, which might be erroneously interpreted as a product of cool-flames.

Air-fuel ratio↗

Turbulence suppression at extreme plasma densities on DIII-D and EAST

Recent high-poloidal-beta (high-βP) experiments on DIII-D and EAST have made coordinated breakthroughs for high confinement quality at high density near the Greenwald limit. Density gradient amplification of turbulence suppression at high βP can explain both of these achievements. Experiments on DIII-D have achieved Greenwald fraction (fGr = line-averaged density/Greenwald density) above 1 simultaneously with normalized energy confinement (H98y2) around 1.5, as required in fusion reactor designs but never before verified in tokamak experiments with the divertor configuration. A synergy between increased H98y2 and fGr is observed with strong gas puffing, due to the build-up of an internal transport barrier at large radius in the temperature and density channels. Transport simulations reveal that the favorable trend of reduced turbulent energy transport at higher density is only expected when increasing the density gradient at high local safety factor and high β, thus at high βP to ensure strong α-stabilization. These conditions are crucial to many conceptual designs for steady-state reactors. New experiments on EAST have nearly doubled the ion temperature at fGr ∼ 0.9, consistent with predict-first modeling results based on the same physics revealed from the DIII-D analysis. All previous EAST long-pulse H-modes have Ti ≪ Te near plasma axis. Transport modeling indicates that the profiles are limited by ion-temperature-gradient modes at mid-radius. The modeling also suggested potential solutions, including reducing magnetic shear, enhancing density gradients, and higher impurity concentration. Following this guidance, EAST experiments directly show a strong enhancement of Ti achieved with a combination of a second plasma current ramp-up, a density gradient increase, and a Zeff perturbation by a short pulse (100 ms) of impurity injection, as predicted by the earlier modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗