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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 19 records

A Markov chain Monte Carlo (MCMC) Bayesian inference approach to analyze apparent activation barriers and reaction orders from microreactor data

Statistical analysis of steady-state catalytic kinetic data is often limited by data sparsity due to the slow pace at which the data is collected. Data sparsity and limitations in statistical analysis make it difficult to differentiate between mechanistic models and catalytic sites. A Bayesian inference tool is reported for catalysis researchers to estimate error in the determination of reaction orders from steady state microreactor data. The benefits of a Bayesian inference approach are discussed, as an alternative to the more common frequentist approach. The approach incorporates prior knowledge of the system and the data collected to form an error estimate on reaction orders. We investigated the effects of three distinct data treatments—individual fitting of trials, pooled analysis, and constrained regression methods—on the precision and uncertainty of reaction order determinations. To assess the robustness of our findings, we conducted sensitivity analyses to evaluate the influence of Bayesian parameters on uncertainty estimation. Additionally, we utilized synthetic data to illustrate how data quality impacts the precision of uncertainty assessments. We show Bayesian analysis can obtain a more precise estimation of error with a sparse data set than a frequentist analysis. Finally, this work provides strong evidence that the adoption of Bayesian analysis of kinetic data may help researchers make more precise arguments as to the strength of their evidence for a particular mechanistic hypothesis, or in comparing across different catalysts.

42 ENGINEERING

How initial conditions-, structural-, and parameter-based model uncertainty interact and influence predictions in permafrost ecosystems: Modeling Archive

This dataset contains model output and input data, as well as source code examples for the Terrestrial Ecosystem Model with the Dynamic Vegetation Model and Dynamic Organic Soil (DVM-DOS-TEM) for the field sites Imnavait creek and the Bonanza creek Long Term Ecological Research Network (LTER). The data covers simulations from the last glacial maximum (LGM) until 2100 for a selection of paleo scenarios, setting the mean temperature of the LGM up to 10°C lower than pre-industrial conditions. The model structure was modulated to represent various model versions, and this dataset contains the relevant changes in the source code. The raw output data, the processed statistical data, the setup and processing scripts as well as parameter value distribution files from a parameter sensitivity analysis are included as well. Model outputs include active layer depth, organic soil carbon, soil layer depths, gross primary productivity (GPP) with and without nitrogen limitation, net primary productivity (NPP), soil liquid water content, heterotrophic, maintenance, and growth respiration, soil temperature, and vegetation carbon (*.nc files). The Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) project is a research effort to reduce uncertainty in the Department of Energy’s Energy Exascale Earth System Model (E3SM) by developing a predictive understanding of Arctic tundra ecosystems underlain by permafrost and to quantify feedbacks from the Arctic tundra to the Earth system. NGEE Arctic is supported by the Department of Energy's Office of Biological and Environmental Research.Over Phases 1–3, observations made by the NGEE Arctic team across a gradient of permafrost landscapes in Arctic Alaska improved the representation of tundra processes in the land surface component of E3SM (the E3SM Land Model, ELM). Model improvements emphasized unique aspects of permafrost environments and explored reductions in model complexity while retaining predictive power. The Arctic-informed ELM developed by NGEE Arctic has been used to make novel predictions on processes ranging from permafrost thaw to soil biogeochemical cycling to Earth system feedbacks associated with the unique characteristics of tundra plants. In Phase 4, the NGEE Arctic team is evaluating our new predictive understanding under novel conditions across the Arctic domain. In collaboration with partners at long-term pan-Arctic research sites we are examining whether an Arctic-informed ELM can faithfully simulate interactions among surface and subsurface processes at site, regional, and pan-Arctic scales. In turn, we are using variety of tools to dynamically extend and evaluate ELM inference, with an emphasis on data synthesis and pan-Arctic model evaluation, reintegration of code with an evolving E3SM, scaling across heterogeneous Arctic landscapes, and the appropriate representation of the impacts of increasingly frequent Arctic disturbances.

54 ENVIRONMENTAL SCIENCES

SBND Detector Status and First Results

The Short-Baseline Near Detector (SBND) is one of three liquid argon time projection chamber (LArTPC) neutrino detectors positioned along the axis of the Booster Neutrino Beam (BNB) at Fermilab, and serves as the near detector in the Short-Baseline Neutrino (SBN) Program. The detector just completed its second year of running, collecting over 6.5e20 POT, equivalent to an unprecedented sample of over 5 million neutrino interactions. Initial data has demonstrated superb performance of the detector’s subsystems, enabling precise tracking and calorimetric reconstruction of events. With this large statistical data set, SBND is performing multi-dimensional cross section measurements of inclusive and exclusive topologies and precise searches for beyond the Standard Model (BSM) processes. As the near detector in the SBN Program, it will enable the full potential of the joint sterile neutrino measurements program by precisely characterizing the unoscillated neutrino beam, constraining BNB flux and neutrino-argon cross-section systematic uncertainties. In this talk, the current status of the experiment, first results from SBND’s neutrino interaction program, as well as status and prospects for BSM and oscillation searches are discussed.

Paton, Josephine [Fermilab] (ORCID:000000032651489

Comparative Analysis of Inter-Area Oscillations in the US Eastern and Western Interconnections

This paper presents a comparative analysis of interarea oscillations in the US Eastern and Western Interconnections using frequency disturbance data collected from the advanced wide-area Frequency Monitoring Network (FNET/GridEye), enabling us to investigate and compare the oscillation characteristics of both regions. The study analyzes the statistical data from the two interconnections, including total oscillation events, average dominant frequencies, damping ratios, and maximum amplitudes. We also explore the impact of seasonal and daily variations on oscillation occurrences and the influence of different grid topologies and operational practices. The results provide insights into both interconnections' stability and control characteristics, offering valuable information for power system operators to enhance grid stability and oscillation suppression measures.

Fu, Hao [University of Tennessee, Knoxville (UTK)]

Exploiting the PRISM Feature and Purity Monitors of the SBND Neutrino Detector

The Short-Baseline Neutrino (SBN) program at Fermilab will pursue neutrino properties searches, exploiting three Liquid Argon Time Projection Chamber (LArTPC) experiments to investigate neutrino oscillations with neutrinos from the Booster Neutrino Beam (BNB). SBND will be the near detector in the program, measuring the un-oscillated flux. It is anticipated to begin operating in 2023. Thanks to its peculiar proximity to the neutrino source of about 110 meters, SBND will collect extremely high statistics data of the flux in the GeV energy range, providing unprecedented precision measurements. SBND particular setting also allows to take measurements at different distances from BNB’s center maintaining statistics high enough at each range. LArTPC and the cold electronics technologies, as well as the argon-neutrino interaction studies, will play a key role in future neutrino physics. In this prospect, this work was focused on two SBND features: SBND PRISM tool, with the aim of investigating neutrino flux at different distances from the beam axis, and Purity Monitors, which provide a clever measurement of argon purity in the detector, whose value is fundamental in neutrino-argon interaction.

43 PARTICLE ACCELERATORS

Hybrid chemical characterization of latent images in EUV resist with 12 nm half-pitch features

With the advancement of high numerical aperture extreme ultraviolet (EUV) lithography, the new platform will enable chipmakers to achieve critical dimensions of 8 nm. However, resist materials face significant challenges in delivering increased sensitivity while managing rising stochastic variations. We aim to develop comprehensive techniques to characterize the chemical profile of latent images, stored in EUV resists after exposure and postexposure baking, which is essential for understanding the origin of stochastic effects. Infrared photo-induced force microscopy (IR PiFM) is a bimodal atomic force microscopy technique combined with an infrared light source, allowing for simultaneous sub-5 nm topographic and chemical characterization within a localized environment. Critical-dimension resonant soft X-ray scatterometry (CD-RSoXS) provides statistical data that reveal structural and chemical information for comparative analysis. For the first time, IR PiFM has been used to chemically map the latent images of EUV resists (after exposure and postexposure baking) at a record high resolution of 12 nm half-pitch, enabling nondestructive analysis of patterns prior to development. Furthermore, CD-RSoXS offers direct experimental observation and comparison of exposed, postexposure baked, and developed patterns, which align with the IR PiFM results. We demonstrate that the IR PiFM technique offers valuable insights into both high spatial resolution and local chemical information simultaneously. In addition, CD-RSoXS provides statistical results that support our main findings. This hybrid metrology approach leverages a multifaceted dataset by combining the most reliable information from each source, which is essential for a comprehensive understanding of the stochastic effects in EUV lithography processes.

O’Reilly, Padraic

Classification of Cloud Particle Imagery and Thermodynamics (COCPIT): A New Databasing Tool for the Characterization of Cloud Particle Images Captured During DOE Field Campaigns

The Department of Energy for decades has explored the earth system and atmosphere through research and deployment of in-situ and remote sensing platforms during field campaigns. Among these datasets exists a vast supply of cloud particle images that provide visual insight into the complex microphysics in the clouds that span our globe. The millions of images collected over decades of deployments provides a unique opportunity to further our understanding of our atmosphere down to the crystal size. This work over the past 5 years has sought to organize these images into digestible datasets that can then be used by scientists to further our understanding of microphysics. A machine learning model was developed that categorizes over 1.5 million images across 11 weather events with over 90% accuracy according to particle type. The database was then extended to include dimensional characteristics of the particle as well as co-location of environmental properties, such as temperature and water content. Then, to initialize the connection between these data and our understanding of how crystals form and grow, weather research and forecasting simulations were run to generate the growth histories of the classified crystals. This research culminates with 2 databases per event: (1) a database of all classified crystals and their dimensional and environmental properties and (2) simulated growth histories of each crystal. Finally, a user interface was created to allow researchers to explore data statistics.

54 ENVIRONMENTAL SCIENCES

Statistics of base polytopes in F-theory

We propose a new statistical ensemble of toric bases for elliptic Calabi-Yaus used in F-theory models, by focusing on only the convex hull of the base, i.e., the base polytope. This physically motivated coarse-graining greatly simplifies the combinatorial complexity of the part of the 4d F-theory landscape with toric bases. We develop a Monte Carlo approach that randomly samples the base polytopes within fixed boxes, with proper statistical weights. We first apply the algorithm to the set of 2d base polytopes, generating an enlarged set of toric 2d bases that include certain types of codimension-two (4,6) points, and we validate our approach against exact numbers. We then explore the set of 3d base polytopes which fit in a set of “maximal” 3d boxes, and estimate the total number of inequivalent 3d base polytopes to be 10 85 –10 90 . We provide statistical data such as the distribution of non-Higgsable gauge groups on these bases. Amusingly, a similar method can also be applied to generate reflexive polytopes in various dimensions. In both the reflexive and base polytope cases, the number of relevant polytopes obeys a Gaussian distribution as a function of the number of vertices, which can be understood in terms of other results on random polytopes in the math literature.

Differential and algebraic geometry

Strangeness enhancement at its extremes: multiple (multi-)strange hadron production in pp collisions at \(\sqrt{s}=5.02\) TeV

The probability to observe a specific number of strange and multi-strange hadrons (nS), denoted as P(nS), is measured by ALICE at midrapidity (|y| < 0.5) in $$\sqrt{s}=5.02$$ TeV proton-proton (pp) collisions, dividing events into several multiplicity-density classes. Exploiting, for the first time, a technique based on counting the number of strange-particle candidates event-by-event, this measurement allows one to extend the study of strangeness production beyond the mean of the distribution. This constitutes a new test bench for production mechanisms, probing events with a large imbalance between strange and non-strange content. The analysis of a large-statistics data sample makes it possible to extract P(nS) up to a maximum nS of 7 for $${\text{K}}_{\text{S}}^{0}$$, 5 for Λ and $$\overline{\Lambda }$$, 4 for Ξ− and $${\overline{\Xi } }^{+}$$, and 2 for Ω− and $${\overline{\Omega } }^{+}$$. From this, the probability of producing strange hadron multiplets per event is calculated, thereby enabling the extension of the study of strangeness enhancement to extreme situations where several strange quarks hadronize in a single event at midrapidity. Moreover, comparing hadron combinations with different u and d quark compositions and equal overall s quark content, the contribution to the enhancement pattern coming from non-strangeness related mechanisms is isolated. The results are compared with state-of-the-art phenomenological models implemented in commonly used Monte Carlo event generators, including PYTHIA 8 Monash 2013, PYTHIA 8 with QCD-based Color Reconnection and Rope Hadronization (QCD-CR + Ropes), and EPOS LHC, which incorporates both partonic interactions and hydrodynamic evolution. These comparisons show that the new approach dramatically enhances the sensitivity to the different underlying physics mechanisms modeled by each generator.

Abualrob, I J

Microstructural features and deuterium diffusion in lithium penta-aluminate pellets under He + and D + ion irradiation

Lithium (Li) penta-aluminate (LiAl 5 O 8 ) is investigated as a potential tritium (T) breeding material, with a focus on microstructural response to ion irradiation and deuterium (D) diffusion behavior. Under high-fluence ion irradiation (2 x 10 17 (He + +D + )/cm 2 ) at 773 K, LiAl 5 O 8 exhibits significant disorder on the Li sublattice, as revealed by atomic-resolution scanning transmission electron microscopy, while the Al and O sublattices remain stable, demonstrating strong resistance to structural amorphization. Irradiation induces the formation of platelet-shaped antiphase boundaries (APBs), which may serve as effective D trapping sites. Atom probe tomography suggests the presence of 6 LiD clusters in the mass spectra, though definite conclusions regarding APB composition are hindered by signal overlap and limited data statistics. Time-of-flight secondary ion mass spectrometry reveals that D retention approaches to saturation at 3 x 10 17 (He + +D + )/cm 2 . Isothermal and isochronal annealing studies determine an average diffusivity of 1.6 x 10 -13 at 773 K and an effective activation energy of 0.8 ± 0.1 eV for D migration. Compared to γ-LiAlO 2 , LiAl 5 O 8 demonstrates superior irradiation resistance, minimal Li loss, and enhanced D retention, underscoring its potential as a durable breeder material for T production. In conclusion, these findings provide key insights into the microstructural evolution, defect dynamics, and D retention mechanisms in LiAl 5 O 8 under reactor-relevant conditions.

42 ENGINEERING

Measurement of top-quark pair production in association with charm quarks in proton–proton collisions at √s = 13 TeV with the ATLAS detector

Inclusive cross-sections or top-quark pair production in association with charm quarks are measured with proton-proton collision data at a center-of-mass energy of 13 TeV corresponding to an integrated luminosity of 140 fb -1 , collected with the ATLAS experiment at LHC between 2015 and 2018. The measurements are performed by requiring one or two charged leptons (electrons and muons), two b-tagged jets, and at least one additional jet in the final state. A custom flavor-tagging algorithm is employed for the simultaneous identification of b-jets and c-jets. In a fiducial phase space that replicates the acceptance of the ATLAS detector, the cross-sections for $t\bar{t}$ + ≥ 2c and $t\bar{t}$ + 1c production are measured to be $1.28^{+0.27}_{-0.24}$ pb and $6.4^{+1.0}_{-0.9}$ pb, respectively. The measurements are primarily limited by uncertainties in the modeling of inclusive $t\bar{t}$ and $t\bar{t}$ + $b\bar{b}$ production, in the calibration of the flavor-tagging algorithm, and by data statistics. Cross-section predictions from various $t\bar{t}$ simulations are largely consistent with the measured cross-section values, though all underpredict the observed values by 0.5 to 2.0 standard deviations. In a phase-space volume without requirements on the $t\bar{t}$ decay products and the jet multiplicity, the cross-section ratios of $t\bar{t}$ + ≥ 2c and $t\bar{t}$ + 1c to total $t\bar{t}$ + jets production are determined to be (1.23 ± 0.25)% and (8.8 ± 1.3)%.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS