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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Measurement of the differential $\hbox {t}\overline{\hbox {t}}$ production cross section as a function of the jet mass and extraction of the top quark mass in hadronic decays of boosted top quarks

A measurement of the jet mass distribution in hadronic decays of Lorentz-boosted top quarks is presented. The measurement is performed in the lepton + jets channel of top quark pair production ($\hbox {t}\overline{\hbox {t}}$) events, where the lepton is an electron or muon. The products of the hadronic top quark decay are reconstructed using a single large-radius jet with transverse momentum greater than 400 GeV. The data were collected with the CMS detector at the LHC in proton-proton collisions and correspond to an integrated luminosity of 138 fb -1 . The differential $\hbox {t}\overline{\hbox {t}}$ production cross section as a function of the jet mass is unfolded to the particle level and is used to extract the top quark mass. The jet mass scale is calibrated using the hadronic W boson decay within the large-radius jet. The uncertainties in the modelling of the final state radiation are reduced by studying angular correlations in the jet substructure. These developments lead to a significant increase in precision, and a top quark mass of 173.06 ± 0.84 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Toward extracting $$\gamma $$ from $$B\rightarrow DK$$ without binning

Abstract $$B^\pm \rightarrow DK^\pm $$ B ± → D K ± transitions are known to provide theoretically clean information about the CKM angle $$\gamma $$ γ , with the most precise available methods exploiting the cascade decay of the neutral D into CP self-conjugate states. Such analyses currently require binning in the D decay Dalitz plot, while a recently proposed method replaces this binning with the truncation of a Fourier series expansion. In this paper, we present a proof of principle of a novel alternative to these two methods, in which no approximations at the level of the data representation are required. In particular, our new strategy makes no assumptions about the amplitude and strong phase variation over the Dalitz plot. This comes at the cost of a degree of ambiguity in the choice of test statistic quantifying the compatibility of the data with a given value of $$\gamma $$ γ , with improved choices of test statistic yielding higher sensitivity. While our current proof-of-principle implementation does not demonstrate optimal sensitivity to $$\gamma $$ γ , its conceptually novel approach opens the door to new strategies for $$\gamma $$ γ extraction. More studies are required to see if these can be competitive with the existing methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Neuromorphic Graph Algorithms: Extracting Longest Shortest Paths and Minimum Spanning Trees

Neuromorphic computing is poised to become a promising computing paradigm in the post Moore's law era due to its extremely low power usage and inherent parallelism. Traditionally speaking, a majority of the use cases for neuromorphic systems have been in the field of machine learning. In order to expand their usability, it is imperative that neuromorphic systems be used for non-machine learning tasks as well. The structural aspects of neuromorphic systems (i.e., neurons and synapses) are similar to those of graphs (i.e., nodes and edges), However, it is not obvious how graph algorithms would translate to their neuromorphic counterparts. In this work, we propose a preprocessing technique that introduces fractional offsets on the synaptic delays of neuromorphic graphs in order to break ties. This technique, in turn, enables two graph algorithms: longest shortest path extraction and minimum spanning trees.

Kay, Bill↗
DOE OSTI2021

TomoEncoders: 3D Autoencoders for feature extraction in X-ray tomography

Real-time steering of time-resolved or in-situ X-ray tomography requires capturing changes in morphological descriptors in a sample (e.g., porosity, particle size, and crack width) during continuous data acquisition. Image segmentation (2D or3D) followed by quantitative measurement is the conventional method for tracking changes in these descriptors with respect to a previous time-step or a 3D search in a volume. However, image segmentation is expensive. As a faster and unsupervised alternative, a feature-extraction approach using a convolutional autoencoders was developed, where the latent space of the encoder responds to relative changes in morphology with-out prior knowledge of the morphological descriptors.

TEKAWADE, ANIKET↗
DOE OSTI2026

LLM Information Extraction Toolkit

A modular Python framework for information extraction using large language models with support for multiple backends and optional verification workflows.

Yoon, Hong-Jun [Oak Ridge National Laboratory (ORN↗
DOE OSTI2021

SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 2 (Lowest Temperature Extracted Protein Coordinate Trajectories)

Protein-only trajectories of the lowest-temperature window (310K) extracted from temperature replica-exchange molecular dynamics simulations of 23 different SARS CoV-2 systems, including S Protein ACE2-receptor binding-domain, MPro, PLPro, NSP3 ADRP (X-domain/macrodomain/phosphatase), NSP15 (endoribonuclease), NSP9, NSP10, NSP16, and N-protein N-terminus. Systems were prepared with charmm-gui and simulated using the GROMACS simulation software suite. Trajectories are provided in compressed dcd format with accompanying coordinate/topology files in pdb and psf formats. This data supplements the data release, DOI: 10.13139/OLCF/1650650 ('SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 1 (Simulation Initial Conditions and Parameters)')

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Simulation of enhanced light extraction from periodic, disordered, and quasi-periodic OLED structures

Here we have developed a rigorous scattering matrix theory of light emission from periodically structured media using a Green’s function approach. We computationally simulate the spectral power inside the structure, incorporating Purcell factor enhancements, and find internal waveguiding modes and plasmonic losses. We simulate the light-outcoupling factor η out and describe how corrugations and structured media can enhance η out . We have extended our framework to describe non-periodic disordered arrays as well as aperiodic quasi-crystalline arrays. Flat organic light-emitting diodes (OLEDs) have low outcoupling with η out ~20% since most of the light is trapped in waveguided modes in higher index layers or lost to plasmonic excitations at the metal cathode. Periodically corrugated OLEDs can achieve highly enhanced η out ~65%-70% for pitch values between 1000 and 2000 nm, representing an enhancement factor >3 over planar structures. Periodic corrugations strongly diffract trapped waveguided and plasmonic modes to the emissive air cone. Disordered templates also can cause significant enhanced outcoupling with η out ~50%-55% for smaller nearest-neighbor separations of 300–400 nm. Quasi-crystalline tilings can also lead to enhancements of η out ~50%-55%. This framework can be utilized to design novel structured media that can generate high light extraction.

42 ENGINEERING↗
DOE OSTI2022

Extracting information from X-ray diffraction patterns containing Laue oscillations

The presence of Laue oscillations in a film grown on a solid surface is broadly taken as indicating a high quality, crystallographically aligned film of the targeted compound. In this paper we briefly review the origins of both Laue oscillations and Kiessig fringes and show how they can be used together to determine if extra thickness exists above or below the coherently diffracting domains. The differences between experimental and “ideal” films are discussed and the effect of structural features (roughness, different thickness coherently diffracting domains and thickness in addition to the coherently diffracting domains) are illustrated with experimental and simulated data for metal and mixed-metal chalcogenide films of titanium, bismuth, vanadium/iron, and bismuth/molybdenum. Examples are given showing how quantitative information can be extracted from experimental diffraction patterns.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Model America - Arizona extract from ORNL's AutoBEM v1.1

Oak Ridge National Laboratory (ORNL) has developed the Automatic Building Energy Modeling (AutoBEM) software suite to process multiple types of data, extract building-specific descriptors, generate building energy models, and simulate them on High Performance Computing (HPC) resources. For more information, see AutoBEM-related publications (bit.ly/AutoBEM).Two sets of sample data are provided for 2,555,152 buildings located within the boundary of Arizona in the United States:Data (846.3MB *.csv) - minimalist list of each building (rows) for the following fields (columns) • ID - unique building ID • Centroid - building center location in latitude/longitude (from Footprint2D) • Footprint2D - building polygon of 2D footprint (lat1/lon1_lat2/lon2_...) • State_abbr - state name • Area - estimate of total conditioned floor area (ft2) • Area2D - footprint area (ft2) • Height - building height (ft) • NumFloors - number of floors (above-grade) • WWR_surfaces - percent of each facade (pair of points from Footprint2D) covered by fenestration/windows (average 14.5% for residential, 40% for commercial buildings) • CZ - ASHRAE Climate Zone designation • BuildingType - DOE prototype building designation (IECC=residential) as implemented by OpenStudio-standards • Standard - building vintage • Sample Models (114GB*.zip by county) - OpenStudio and EnergyPlus building energy models named according to IDThis data is made free and openly available in hopes of stimulating any simulation-informed use case. Data is provided as-is with no warranties, express or implied, regarding fitness for a particular purpose. We wish to thank our sponsors which include Oak Ridge National Laboratory (ORNL), U.S. Dept. of Energy’s (DOE) Building Technologies Office (BTO), Office of Electricity (OE), and Biological and Environmental Research (BER).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Experimental measurements for extracting nonlinear invariants

Nonlinear integrable optics are a promising alternative approach to lattice design. The integrable optics test accelerator (IOTA) at Fermilab has been constructed for dedicated studies of magnetostatic elliptical elements as described by Danilov and Nagaitsev. The most compelling verification of correct implementation of the NIO lattice is direct observation of the analytically expected invariants. This report outlines the experimental and analytical methods for extracting the nonlinear invariants of motion from data gathered in the last IOTA run.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Fast Adaptive Neural Control of Resonant Extraction at Fermilab

We present progress on the development of a machine learning (ML) regulation system for third-order resonant extraction of the beam delivered to the Mu2e experiment at Fermilab. We consider classical and ML-based controllers optimized on semi-analytic simulations and provide performance comparisons for several models. Additionally, we discuss the efficiency of each model in training, which has implications for future work on adaptive control. We also discuss progress on developing optimized implementations of ML models for edge-based inference.

Whitbeck, A. [Fermilab] (ORCID:0000000342245164)↗
DOE OSTI2022

Simultaneous Extraction of Unpolarized PDFs and Nuclear Effects

We present a new global QCD analysis of unpolarized parton distribution functions (PDFs) and nuclear effects including for the first time data from the SeaQuest and Marathon experiments in addition to high-energy weak-boson-production data from the Tevatron and Large Hadron Collider. Simultaneously extracting the PDFs and nuclear effects, we examine the impact of the SeaQuest and Marathon data on the light-quark sea asymmetry and the EMC ratios of deuterium, helium, and tritium.

Cocuzza, Christopher↗
DOE OSTI2020

CDFG Extraction Tool for LLVM

With the dawn of the exascale era, computer scientists and engineers are faced with tremendous challenges across all facets of the HPC system - scalability, performance, reliability, and power consumption. In particular, the power-performance benefit from one processor generation to the next is seeing ever-diminishing returns and will require fundamental changes in the way we approach computation. In fact, it is likely that different applications will require different types of accelerators in order to meet power, performance, and reliability requirements at scale. One potential type of accelerator, a dataflow architecture, diverges from the traditional sequentially executed instruction model into one that reflects the inherent instruction-level parallelism in a program. This work presents the initial steps toward a tool that can extract the control-dataflow graph from an application.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Measuring and Extracting Activity from Time Series Data

This report summarizes the results of an LDRD focused on developing and demonstrating statistically rigorous methods for analyzing and comparing complex activities from remote sensing data. Identifying activity from remote sensing data, particularly those that play out over time and span multiple locations, often requires extensive manual effort because of the variety of features that describe the activity and the required domain expertise. Our results suggest that there are some hidden challenges in extracting and representing activities in sensor data. In particular, we found that the variability in the underlying behaviors can be difficult to overcome statistically, and the report identifies several examples of the issue. We discuss key lessons learned in the context of the project, and finally conclude with recommendations on next steps and future work.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Designing Catalysts for Dehydrogenation of Methane for Reducing Greenhouse Gas during Natural Gas Extraction

Catalytic conversion of methane (CH 4 ) into useful products is critical for maximizing the utility of natural gas output and for reducing green house gas release associated with flaring (burning off CH 4 at natural gas extraction sites). One particular useful technique is methane dry reforming (DRM), which involves the chemical reaction of CH 4 with carbon dioxide (CO 2 ) to generate carbon monoxide (CO), hydrogen gas (H 2 ), and subsequently other useful products. New and improved catalysts are required to facilitate efficient dry methane reforming. In this report, we apply the Density Functional Theory (DFT) computational technique to investigate a catalyst consisting of small nickel clusters (Ni n , n < 10) on ceria (Ce0 2 (111) surfaces) support. One main thrust of this project is to study the initial CH 4 and CO 2 reactions with the catalyst. We find that CH 4 exhibits barrierless reactive adsorption on to the catalyst. In order words, this step is likely not the rate-determining step. A second thrust is to perform detailed studies of the catalyst itself and examine the role of oxygen vacancies. Using a specific DFT method and a hypothesis about the absence of the Ce(III) redox state, we obtain predictions about oxygen vacancies in good agreement with experimental observations.

03 NATURAL GAS↗
DOE OSTI2020

Novel High Temperature Carbide and Boride Ceramics for Direct Power Extraction Electrode Applications. Final report

The current project aims to develop new carbide and boride ceramic materials that incorporate different metal elements (e.g., (Hf 1-x Zr x )B 2 , also called ceramic solid solutions) and understand the fundamental composition-processing-structure-property relationships for such materials. Specifically, nano powders and related nano-composites for selected mixed metal carbide and boride materials are synthesized from nano-scale mixed precursors obtained from solution-based processing via heat treatment in inert atmosphere. The obtained fine powders were then consolidated into dense ceramics via a novel flash sintering process. The mechanical properties and thermal oxidation resistance for the obtained materials were evaluated for these materials. It was found that different synthesis routes produced powders with somewhat different characteristics in terms of composition and microstructure, which then led to different properties for the final ceramics. The synthesis and processing methods demonstrated in this study might be adopted for developing other similar high temperature ceramics, while the mixed metal or solid solution ceramic materials obtained from this study might be used as hot electrodes for direction power extraction and other energy-related applications.

20 FOSSIL-FUELED POWER PLANTS↗