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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Challenges in Bioinformatics Workflows for Processing Microbiome Omics Data at Scale

The nascent field of microbiome science is transitioning from a descriptive approach of cataloging taxa and functions present in an environment to applying multi-omics methods to investigate microbiome dynamics and function. A large number of new tools and algorithms have been designed and used for very specific purposes on samples collected by individual investigators or groups. While these developments have been quite instructive, the ability to compare microbiome data generated by many groups of researchers is impeded by the lack of standardized application of bioinformatics methods. Additionally, there are few examples of broad bioinformatics workflows that can process metagenome, metatranscriptome, metaproteome and metabolomic data at scale, and no central hub that allows processing, or provides varied omics data that are findable, accessible, interoperable and reusable (FAIR). Here, we review some of the challenges that exist in analyzing omics data within the microbiome research sphere, and provide context on how the National Microbiome Data Collaborative has adopted a standardized and open access approach to address such challenges.

NMDC, Microbiome↗
DOE OSTI2024

Enriching the physics program of the CMS experiment via data scouting and data parking

Specialized data-taking and data-processing techniques were introduced by the CMS experiment in Run 1 of the CERN LHC to enhance the sensitivity of searches for new physics and the precision of standard model measurements. These techniques, termed data scouting and data parking, extend the data-taking capabilities of CMS beyond the original design specifications. The novel data-scouting strategy trades complete event information for higher event rates, while keeping the data bandwidth within limits. Data parking involves storing a large amount of raw detector data collected by algorithms with low trigger thresholds to be processed when sufficient computational power is available to handle such data. The research program of the CMS Collaboration is greatly expanded with these techniques. The implementation, performance, and physics results obtained with data scouting and data parking in CMS over the last decade are discussed in this Report, along with new developments aimed at further improving low-mass physics sensitivity over the next years of data taking.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Measurement and QCD analysis of double-differential inclusive jet cross sections in proton-proton collisions at $\sqrt{s}$ = 13 TeV

A measurement of the inclusive jet production in proton-proton collisions at the LHC at $ \sqrt{s} $ = 13 TeV is presented. The double-differential cross sections are measured as a function of the jet transverse momentum p$_{T}$ and the absolute jet rapidity |y|. The anti-k$_{T}$ clustering algorithm is used with distance parameter of 0.4 (0.7) in a phase space region with jet p$_{T}$ from 97 GeV up to 3.1 TeV and |y| < 2.0. Data collected with the CMS detector are used, corresponding to an integrated luminosity of 36.3 fb$^{-1}$ (33.5 fb$^{-1}$). The measurement is used in a comprehensive QCD analysis at next-to-next-to-leading order, which results in significant improvement in the accuracy of the parton distributions in the proton. Simultaneously, the value of the strong coupling constant at the Z boson mass is extracted as α$_{S}$(m$_{Z}$) = 0.1170±0.0019. For the first time, these data are used in a standard model effective field theory analysis at next-to-leading order, where parton distributions and the QCD parameters are extracted simultaneously with imposed constraints on the Wilson coefficient c$_{1}$ of 4-quark contact interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Search for a heavy Higgs boson decaying to a pair of W bosons in proton-proton collisions at s$$ \sqrt{s} $$ = 13 TeV

A search for a heavy Higgs boson in the mass range from 0.2 to 3.0 TeV, decaying to a pair of W bosons, is presented. The analysis is based on proton-proton collisions at $\sqrt{s} =$ 13 TeV recorded by the CMS experiment at the LHC in 2016, corresponding to an integrated luminosity of 35.9 fb$^{-1}$. The W boson pair decays are reconstructed in the 2$\ell$2$\nu$ and $\ell\nu$2q final states (with $\ell =$ e or $\mu$). Both gluon fusion and vector boson fusion production of the signal are considered. Interference effects between the signal and background are also taken into account. The observed data are consistent with the standard model (SM) expectation. Combined upper limits at 95% confidence level on the product of the cross section and branching fraction exclude a heavy Higgs boson with SM-like couplings and decays up to 1870 GeV. Exclusion limits are also set in the context of a number of two-Higgs-doublet model formulations, further reducing the allowed parameter space for SM extensions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Search for new physics in top quark production with additional leptons in proton-proton collisions at $\sqrt{s} = $ 13 TeV using effective field theory

Events containing one or more top quarks produced with additional prompt leptons are used to search for new physics within the framework of an effective field theory (EFT). The data correspond to an integrated luminosity of 41.5 fb$^{−1}$ of proton-proton collisions at a center-of-mass energy of 13 TeV at the LHC, collected by the CMS experiment in 2017. The selected events are required to have either two leptons with the same charge or more than two leptons; jets, including identified bottom quark jets, are also required, and the selected events are divided into categories based on the multiplicities of these objects. Sixteen dimension-six operators that can affect processes involving top quarks produced with additional charged leptons are considered in this analysis. Constructed to target EFT effects directly, the analysis applies a novel approach in which the observed yields are parameterized in terms of the Wilson coefficients (WCs) of the EFT operators. A simultaneous fit of the 16 WCs to the data is performed and two standard deviation confidence intervals for the WCs are extracted; the standard model expectations for the WC values are within these intervals for all of the WCs probed.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Search for supersymmetry in events with four or more charged leptons in 139 fb -1 of $\sqrt{s}$ = 13 TeV pp collisions with the ATLAS detector

A search for supersymmetry in events with four or more charged leptons (electrons, muons and $\tau$-leptons) is presented. The analysis uses a data sample corresponding to 139 fb -1 of proton-proton collisions delivered by the Large Hadron Collider at $\sqrt{s}$ =13 TeV and recorded by the ATLAS detector. Four-lepton signal regions with up to two hadronically decaying $\tau$-leptons are designed to target several supersymmetric models, while a general five-lepton signal region targets any new physics phenomena leading to a final state with five charged leptons. Data yields are consistent with Standard Model expectations and results are used to set upper limits on contributions from processes beyond the Standard Model. Exclusion limits are set at the 95% confidence level in simplified models of general gauge-mediated supersymmetry, excluding higgsino masses up to 540 GeV. In R-parity-violating simplified models with decays of the lightest supersymmetric particle to charged leptons, lower limits of 1.6 TeV, 1.2 TeV, and 2.5 TeV are placed on wino, slepton and gluino masses, respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

A search for heavy Higgs bosons decaying into vector bosons in same-sign two-lepton final states in $pp$ collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for heavy Higgs bosons produced in association with a vector boson and decaying into a pair of vector bosons is performed in final states with two leptons (electrons or muons) of the same electric charge, missing transverse momentum and jets. A data sample of proton–proton collisions at a centre-of-mass energy of 13 TeV recorded with the ATLAS detector at the Large Hadron Collider between 2015 and 2018 is used. The data correspond to a total integrated luminosity of 139 fb –1 . The observed data are in agreement with Standard Model background expectations. The results are interpreted using higher-dimensional operators in an effective field theory. Upper limits on the production cross-section are calculated at 95% confidence level as a function of the heavy Higgs boson’s mass and coupling strengths to vector bosons. Limits are set in the Higgs boson mass range from 300 to 1500 GeV, and depend on the assumed couplings. The highest excluded mass for a heavy Higgs boson with the coupling combinations explored is 900 GeV. Limits on coupling strengths are also provided.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Heat capacity and thermodynamic functions of transition metal ion (Cu 2+ , Fe 2+ , Mn 2+ ) exchanged, partially dehydrated zeolite $\mathrm{A}$ ($\mathrm{LTA}$)

Here we have measured the heat capacity from 1.8 to 300 K of partially dehydrated zeolite A (LTA), fully exchanged with Cu 2+ , Fe 2+ , and Mn 2+ ions. The samples have a broad excess heat capacity contribution centered around 4 K, which we attribute to local electric fields splitting the magnetic moments of the cations. The excess heat capacity is modelled using a sum of several Schottky anomalies. From these models, we conclude that the cations in the Cu 2+ zeolite reside in at least four distinct coordination environments, and that some of the coordination environments in all three zeolites are highly asymmetric. We also report theoretical fits of the heat capacity data, and values of the standard thermodynamic functions C P,m , Δ 0K T S m ° , Δ 0K T H m ° , and Φ m ° at smooth temperatures. The standard molar entropies at 298.15 K are 71.8 J·K -1 ·mol -1 for Cu-zeolite A (Cu 0.22 Al 0.49 Si 0.51 O 2 1.04 H 2 O), 71.1 J·K -1 ·mol -1 for Fe-zeolite A (Na 0.01 Fe 0.23 Al 0.50 Si 0.51 O 2 ∙0.77 H 2 O), and 66.0 J·K -1 ·mol -1 for Mn-zeolite A (Mn 0.26 Al 0.49 Si 0.50 O 2 ∙0.53 H 2 O).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Improved uranium isotopic ratio determinations for the liquid sampling-atmospheric pressure glow discharge orbitrap mass spectrometer by use of moving average processing

The liquid sampling-atmospheric pressure glow discharge (LS-APGD) is a versatile combined atomic and molecular (CAM) ionization source capable of ionizing elemental species, small polar compounds, low-polarity polycyclic aromatic hydrocarbons, and proteins. While the LS-APGD has been proven capable of determining the 235U/238U isotope ratio in enriched and natural uranium, recent efforts have strived to reduce the analysis time of individual measurements by employing higher-order data processing techniques, specifically, moving average methods. Additionally, the use of a moving average (of data windows of various widths) improves the precision of the ratio measurements and reduces the number of scans needed to be collected to generate high-precision results. Additionally, use of the moving average minimizes the quantity of sample that needs to be analyzed while reducing the measurement time. These reductions have allowed isotope ratio (IR) determinations to be made using injections instead of direct infusion of the analyte. For example, employing a 40-point window width in the moving average to direct infusion data reduced the percent relative standard deviation (% RSD) of the 235U/238U values from 3.4% to 0.5%. For the injection of a 100 μL aliquot, the % RSD was reduced from 5.3% to 0.7%.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

An imaging refractometer for density fluctuation measurements in high energy density plasmas

In this work, we report on a recently developed laser-probing diagnostic which allows direct measurements of ray-deflection angles in one axis, whilst retaining imaging capabilities in the other axis. This allows us to measure the spectrum of angular deflections from a laser beam which passes though a turbulent high-energy-density plasma. This spectrum contains information about the density fluctuations within the plasma, which deflect the probing laser over a range of angles. We create synthetic diagnostics using ray-tracing to compare this new diagnostic with standard shadowgraphy and schlieren imaging approaches, which demonstrates the enhanced sensitivity of this new diagnostic over standard techniques. We present experimental data from turbulence behind a reverse shock in a plasma and demonstrate that this technique can measure angular deflections between 0.06 and 34 mrad, corresponding to a dynamic range of over 500.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

We report that community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, and interoperable interfaces that work with existing community codes to provide more functionality and composability than could be achieved with a single program. The Quantum Chemistry Common Driver and Databases (QCDB) project provides such capability through an application programming interface (API) that facilitates interoperability across multiple quantum chemistry software packages. In tandem with the Molecular Sciences Software Institute and their Quantum Chemistry Archive ecosystem, the unique functionalities of several CMS programs are integrated, including CFOUR, GAMESS, NWChem, OpenMM, Psi4, Qcore, TeraChem, and Turbomole, to provide common computational functions, i.e., energy, gradient, and Hessian computations as well as molecular properties such as atomic charges and vibrational frequency analysis. Both standard users and power users benefit from adopting these APIs as they lower the language barrier of input styles and enable a standard layout of variables and data. These designs allow end-to-end interoperable programming of complex computations and provide best practices options by default.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

United States Nuclear Power Reactor Used Nuclear Fuel Database and Applications

The Unified Database (UDB) within STANDARDS serves as the foundational data infrastructure for managing the United States' spent nuclear fuel inventory of 315,111 discharged assemblies totaling 91,036 metric tons of heavy metal. The database organizes this complex inventory through over 200 interconnected tables structured into eight primary attribute categories, supporting integrated analyses across storage, transportation, and disposal domains. Data enters the UDB through the GC-859 Nuclear Fuel Data Survey, which transitioned to web-based collection in 2023, improving data quality through real-time validation. The UDB enables automated generation of input files for nuclear safety analyses, reducing preparation time from weeks to hours while maintaining traceability. Applications include national inventory reporting, Certificate of Compliance assessments, and facility optimization. The three-tier distribution model balances accessibility with security requirements for federal agencies, national laboratories, and research organizations. The UDB provides essential data infrastructure as spent fuel management transitions from site-specific to integrated national campaigns.

Stefanovic, Peter↗
DOE OSTI2025

Deep-learning-based canopy height model generation from sub-meter resolution panchromatic satellite imagery

Canopy height models (CHMs) with sufficient resolution to distinguish individual trees are useful for a variety of applications. However, standard techniques to acquire such data, such as airborne lidar surveying, are often prohibitively expensive. Deep learning techniques for generating CHMs from high-resolution imagery are an attractive option to reduce costs. To date, success with these methods has been demonstrated using multichannel aerial photography and specialized satellite data products derived from multiple sensors, neither of which is commonly available at temporal resolutions finer than one year. Here we demonstrate a method to generate sub-meter resolution CHMs in three forests in California using a more abundant data source: sub-meter resolution, panchromatic satellite imagery from a single sensor. We show that phenology and species composition play important roles in model transferability; when trained using imagery from a single conifer forest in autumn, the model performs well on autumn imagery from a second conifer forest several hundred kilometers distant with no re-training. With modest additions to the training dataset, the same model generates minimally biased estimates of canopy height in both conifer and deciduous forests during multiple seasons. Because the model operates on satellite data with global coverage and a relatively short return interval, we propose its suitability to extrapolate tree-level canopy height data to remote regions and conduct high-temporal resolution monitoring of forest structure. We furthermore demonstrate the workflow’s applicability to fire modeling by conducting simulations in forests populated by trees measured using both this approach and airborne lidar surveying. We find minimal differences in fire behavior relative to a baseline case in which only statistical distributions of tree height and crown area are known. This result underscores the value of forest structural information derived from our workflow for improving the fidelity of wildland fire simulations, among other ecological applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

The ModelSEED Biochemistry Database for the integration of metabolic annotations and the reconstruction, comparison and analysis of metabolic models for plants, fungi and microbes

Abstract For over 10 years, ModelSEED has been a primary resource for the construction of draft genome-scale metabolic models based on annotated microbial or plant genomes. Now being released, the biochemistry database serves as the foundation of biochemical data underlying ModelSEED and KBase. The biochemistry database embodies several properties that, taken together, distinguish it from other published biochemistry resources by: (i) including compartmentalization, transport reactions, charged molecules and proton balancing on reactions; (ii) being extensible by the user community, with all data stored in GitHub; and (iii) design as a biochemical ‘Rosetta Stone’ to facilitate comparison and integration of annotations from many different tools and databases. The database was constructed by combining chemical data from many resources, applying standard transformations, identifying redundancies and computing thermodynamic properties. The ModelSEED biochemistry is continually tested using flux balance analysis to ensure the biochemical network is modeling-ready and capable of simulating diverse phenotypes. Ontologies can be designed to aid in comparing and reconciling metabolic reconstructions that differ in how they represent various metabolic pathways. ModelSEED now includes 33,978 compounds and 36,645 reactions, available as a set of extensible files on GitHub, and available to search at https://modelseed.org and KBase.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Search for beyond-mean-field signatures in heavy-ion fusion reactions

Examination of high-resolution, experimental fusion excitation functions for 16,17,18 O + 12 C reveals a remarkable irregular behavior that is rooted in the structure of both the colliding nuclei and the quasi-molecular composite system. The impact of the l-dependent fusion barriers is assessed using a time-dependent Hartree-Fock model, viewed as a mean-field reference. Barrier penetrabilities, taken directly from a density-constrained calculation, provide a significantly improved description of the experimental data as compared to the standard Hill-Wheeler approach. Furthermore, the remaining deviations between the parameter-free theoretical mean-field predictions and experimental fusion cross sections are exposed and discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Search for charged-lepton flavor violation in the production and decay of top quarks using trilepton final states in proton-proton collisions at $\sqrt{s}$ =13 TeV

A search is performed for charged-lepton flavor violating processes in top quark (𝑡) production and decay. The data were collected by the CMS experiment from proton-proton collisions at a center-of-mass energy of 13 TeV and correspond to an integrated luminosity of 138 fb −1 . The selected events are required to contain one opposite-sign electron-muon pair, a third charged lepton (electron or muon), and at least one jet of which no more than one is associated with a bottom quark. Boosted decision trees are used to distinguish signal from background, exploiting differences in the kinematics of the final states particles. The data are consistent with the standard model expectation. Upper limits at 95% confidence level are placed in the context of effective field theory on the Wilson coefficients, which range between 0.024–0.424 TeV −2 depending on the flavor of the associated light quark and the Lorentz structure of the interaction. These limits are converted to upper limits on branching fractions involving up (charm) quarks, 𝑡 → 𝑒⁢𝜇⁢𝑢 (𝑡 → 𝑒⁢𝜇⁢𝑐), of 0.032⁢(0.498) × 10 −6 , 0.022⁢(0.369) × 10 −6 , and 0.012⁢(0.216) × 10 −6 for tensorlike, vectorlike, and scalarlike interactions, respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Constraints on the U ( 1 ) B − L model from global QCD analysis

We perform the first global QCD analysis of electron-nucleon deep-inelastic scattering and related high-energy data including the beyond the Standard Model U ( 1 ) B − L gauge boson, Z ′ . Contrary to the dark photon case, we find no improvement in the χ 2 relative to the baseline result. The finding allows us to place exclusion limits on the coupling constant of the Z ′ with mass in the range M Z ′ = 2 to 160 GeV. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗