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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Ecologically inspired metrics for transitioning to a sustainable and resilient circular economy with application to multilayer plastic films

Current Circular Economy (CE) frameworks applied to product chains exhibit notable shortcomings. These include neglecting the resilience and robustness of design, requiring detailed economic and environmental data for impact assessment, and relying on qualitative rather than quantitative metrics capturing certain CE design aspects. In the current contribution, we addressed these shortcomings by developing an Ecologically inspired (Eco-inspired) Framework using the mathematical foundations of Ecological Network Analysis (ENA). While ENA metrics have previously found application in designing circular economies, particularly in Industrial Symbiosis (IS) networks, our adaptation tailors these metrics for use in product-level CE, recognizing the inherent distinctions between product-level CE and IS. Our Eco-inspired Framework comprises three key categories to provide holistic and granular-level metrics for designing product-level CE. The first set of metrics assesses circularity and resource efficiency. The second set gauges network intensity and robustness as complementary indicators ensuring a CE is both sustainable and resilient. The third group of metrics evaluates enhancement potential of CE strategies through introducing quantitative metrics for measuring the degree of closed-loop strategies and average circularity level of a CE design. The three comprehensive set of indicators within the Eco-inspired Framework uniquely captures various facets of circular design, whether originating from technological innovations and recovery improvement at the end of life (EoL), shifts in human consumption patterns, alterations in product design, or changes in business models. The framework’s application is tested in designing a CE for multilayer Polyethylene-Polyamide (PE-PA) films. Using the Eco-inspired Framework, we identified the best strategy for designing a resilient and sustainable CE for PE-PA films. A diverse set of EoL strategies along with a reduction in product consumption can improve circularity and resilience by 650% and 255%, respectively, and mitigate greenhouse gas emissions by 90%. The framework minimizes trade-offs between sustainability and circularity goals and offers insights on how to enhance each strategy for achieving a resilient and sustainable CE for products.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Air pollution control strategies directly limiting national health damages in the US

Exposure to fine particulate matter (PM 2.5 ) from fuel combustion significantly contributes to global and US mortality. Traditional air pollution control strategies typically focus on emission reductions for specific air pollutants or sectors to maintain air pollutant concentrations within acceptable levels. Here we directly set national PM 2.5 mortality cost reduction targets within a global human-earth system model with US state-level energy systems, identifying endogenously the control actions, sectors, and locations that most cost-effectively reduce PM 2.5 mortality. Our results show that substantial health benefits can be cost-effectively achieved by using electricity to replace sources with high primary PM 2.5 emission intensities, including industrial coal, building biomass, and industrial liquids. Increasing the stringency of PM 2.5 reduction targets expedites the phaseout of high emission intensity sources, leading to larger declines in major air pollutant emissions, but very limited co-benefits in reducing CO 2 emissions. Control strategies achieve the greatest mortality cost reductions in the East North Central and Middle Atlantic states.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Evaluating fast methods for static polarizabilities on extended conjugated oligomers

Given the importance of accurate polarizability calculations to many chemical applications, coupled with the need for efficiency when calculating the properties of sets of molecules or large oligomers, we present a benchmark study examining possible calculation methods for polarizable materials. We first investigate the accuracy of the additive model used in GFN2, a highly-efficient semi-empirical tight-binding method, and the D4 dispersion model, comparing its predicted additive polarizabilities to ωB97XD results for a subset of PubChemQC and a compiled benchmark set of molecules spanning polarizabilities from approximately 3 Å 3 to 600 Å 3 , with some compounds in the range of approximately 1200–1400 Å 3 . Although we find additive GFN2 polarizabilities, and thus D4, to have large errors with polarizability calculations on large conjugated oligomers, it would appear an empirical quadratic correction can largely remedy this. We also compare the accuracy of DFT polarizability calculations run using basis sets of varying size and level of augmentation, determining that a non-augmented basis set may be used for large, highly polarizable species in conjunction with a linear correction factor to achieve accuracy extremely close to that of aug-cc-pVTZ.

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

Inferring plant–plant interactions using remote sensing

Rapid technological advancements and increasing data availability have improved the capacity to monitor and evaluate Earth's ecology via remote sensing. However, remote sensing is notoriously ‘blind’ to fine-scale ecological processes such as interactions among plants, which encompass a central topic in ecology. Here, we discuss how remote sensing technologies can help infer plant–plant interactions and their roles in shaping plant-based systems at individual, community and landscape levels. At each of these levels, we outline the key attributes of ecosystems that emerge as a product of plant–plant interactions and could possibly be detected by remote sensing data. We review the theoretical bases, approaches and prospects of how inference of plant–plant interactions can be assessed remotely. At the individual level, we illustrate how close-range remote sensing tools can help to infer plant–plant interactions, especially in experimental settings. At the community level, we use forests to illustrate how remotely sensed community structure can be used to infer dominant interactions as a fundamental force in shaping plant communities. At the landscape level, we highlight how remotely sensed attributes of vegetation states and spatial vegetation patterns can be used to assess the role of local plant–plant interactions in shaping landscape ecological systems. Synthesis . Remote sensing extends the domain of plant ecology to broader and finer spatial scales, assisting to scale ecological patterns and search for generic rules. Robust remote sensing approaches are likely to extend our understanding of how plant–plant interactions shape ecological processes across scales—from individuals to landscapes. Combining these approaches with theories, models, experiments, data-driven approaches and data analysis algorithms will firmly embed remote sensing techniques into ecological context and open new pathways to better understand biotic interactions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Search for direct production of electroweakinos in final states with missing transverse momentum and a Higgs boson decaying into photons in pp collisions at $ \sqrt{s} $ = 13 TeV with the ATLAS detector

A search for a chargino-neutralino pair decaying via the 125 GeV Higgs boson into photons is presented. The study is based on the data collected between 2015 and 2018 with the ATLAS detector at the LHC, corresponding to an integrated luminosity of 139 fb –1 of pp collisions at a centre-of-mass energy of 13 TeV. No significant excess over the expected background is observed. Upper limits at 95% confidence level for a massless $χ$~ $^0_1$ are set on several electroweakino production cross-sections and the visible cross-section for beyond the Standard Model processes. In the context of simplified supersymmetric models, 95% confidence-level limits of up to 310 GeV in m($χ$~$^±_1$/ $χ$~ $^0_2$), where m($χ$~ $^0_1$) = 0.5 GeV, are set. Limits at 95% confidence level are also set on the $χ$~$^±_1$/ $χ$~ $^0_2$ cross-section in the mass plane of m($χ$~$^±_1$/ $χ$~ $^0_2$) and m($χ$~ $^0_1$), and on scenarios with gravitino as the lightest supersymmetric particle. Upper limits at the 95% confidence-level are set on the higgsino production cross-section. Higgsino masses below 380 GeV are excluded for the case of the higgsino fully decaying into a Higgs boson and a gravitino.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Data-Driven Compositional Optimization in Misspecified Regimes

With a manifold growth in the scale and intricacy of systems, the challenges of parametric misspecification become pronounced. These concerns are further exacerbated in compositional settings, which emerge in problems complicated by modeling risk and robustness. In “Data-Driven Compositional Optimization in Misspecified Regimes,” the authors consider the resolution of compositional stochastic optimization problems, plagued by parametric misspecification. In considering settings where such misspecification may be resolved via a parallel learning process, the authors develop schemes that can contend with diverse forms of risk, dynamics, and nonconvexity. They provide asymptotic and rate guarantees for unaccelerated and accelerated schemes for convex, strongly convex, and nonconvex problems in a two-level regime with extensions to the multilevel setting. Surprisingly, the nonasymptotic rate guarantees show no degradation from the rate statements obtained in a correctly specified regime and the schemes achieve optimal (or near-optimal) sample complexities for general T-level strongly convex and nonconvex compositional problems.

Business & Economics↗
DOE OSTI2021

Search for new phenomena in events with two opposite-charge leptons, jets and missing transverse momentum in pp collisions at $ \sqrt{\mathrm{s}} $ = 13 TeV with the ATLAS detector

The results of a search for direct pair production of top squarks and for dark matter in events with two opposite-charge leptons (electrons or muons), jets and missing transverse momentum are reported, using 139 fb –1 of integrated luminosity from proton-proton collisions at √s = 13 TeV, collected by the ATLAS detector at the Large Hadron Collider during Run 2 (2015–2018). This search considers the pair production of top squarks and is sensitive across a wide range of mass differences between the top squark and the lightest neutralino. Additionally, spin-0 mediator dark-matter models are considered, in which the mediator is produced in association with a pair of top quarks. The mediator subsequently decays to a pair of dark-matter particles. No significant excess of events is observed above the Standard Model background, and limits are set at 95% confidence level. The results exclude top squark masses up to about 1 TeV, and masses of the lightest neutralino up to about 500 GeV. Limits on dark-matter production are set for scalar (pseudoscalar) mediator masses up to about 250 (300) GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Explainability and human intervention in autonomous scanning probe microscopy

The broad adoption of machine learning (ML)-based autonomous experiments (AEs) in material characterization and synthesis requires strategies development for understanding and intervention in the experimental workflow. Here, we introduce and realize a post-experimental analysis strategy for deep kernel learning-based autonomous scanning probe microscopy. This approach yields real-time and post-experimental indicators for the progression of an active learning process interacting with an experimental system. We further illustrate how this approach can be applied to human-in-the-loop AEs, where human operators make high-level decisions at high latencies setting the policies for AEs, and the ML algorithm performs low-level, fast decisions. The proposed approach is universal and can be extended to other techniques and applications such as combinatorial library analysis.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Glass Property-Composition Models Update for use in Direct Feed High-Level Waste Flowsheet Development: EWG3.0

A set of preliminary glass property models and constraints were developed and augmented by models from literature for use in design of Direct Feed High-Level Waste glasses for flowsheet evaluation, testing, and design of the High-Level Waste Facility at the Hanford Waste Treatment and Immobilization Plant. These models and constraints are meant to be used as a placeholder while glass property-composition data gaps are filled and final plant operating models are developed. This report describes the motivation and intended use of the models, the compilation of data, model fitting and selection, and methods to apply the models and constraints in glass design, and offers example calculations demonstrating their intended use.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Search for a light pseudoscalar Higgs boson in the boosted $\mu\mu\tau\tau$ final state in proton-proton collisions at $\sqrt{s}=$ 13 TeV

A search for a light pseudoscalar Higgs boson (a) decaying from the 125 GeV (or a heavier) scalar Higgs boson (H) is performed using the 2016 LHC proton-proton collision data at $ \sqrt{s} $ = 13 TeV, corresponding to an integrated luminosity of 35.9 fb$^{−1}$, collected by the CMS experiment. The analysis considers gluon fusion and vector boson fusion production of the H, followed by the decay H → aa → μμττ, and considers pseudoscalar masses in the range 3.6 < m$_{a}$< 21 GeV. Because of the large mass difference between the H and the a bosons and the small masses of the a boson decay products, both the μμ and the ττ pairs have high Lorentz boost and are collimated. The ττ reconstruction efficiency is increased by modifying the standard technique for hadronic τ lepton decay reconstruction to account for a nearby muon. No significant signal is observed. Model-independent limits are set at 95% confidence level, as a function of m$_{a}$, on the branching fraction (ℬ) for H → aa → μμττ, down to 1.5 (2.0) × 10$^{−4}$ for m$_{H}$ = 125 (300) GeV. Model-dependent limits on ℬ(H → aa) are set within the context of two Higgs doublets plus singlet models, with the most stringent results obtained for Type-III models. These results extend current LHC searches for heavier a bosons that decay to resolved lepton pairs and provide the first such bounds for an H boson with a mass above 125 GeV.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Search for the doubly heavy $ {\Xi}_{bc}^0 $ baryon via decays to D0pK-

A search for the doubly heavy \( {\Xi}_{bc}^0 \) baryon using its decay to the D 0 pK – final state is performed using proton-proton collision data at a centre-of-mass energy of 13 TeV collected by the LHCb experiment between 2016 and 2018, corresponding to an integrated luminosity of 5.4 fb - 1 . No significant signal is found in the invariant mass range from 6.7 to 7.2 GeV/ c 2 . Upper limits are set at 95% credibility level on the ratio of the \( {\Xi}_{bc}^0 \) production cross-section times its branching fraction to D 0 pK - relative to that of the \( {\Lambda}_b^0\to {D}^0{pK}^{-} \) decay. The limits are set as a function of the \( {\Xi}_{bc}^0 \) mass and lifetime hypotheses, in the rapidity range from 2.0 to 4.5 and in the transverse momentum region from 5 to 25 GeV/ c . Upper limits range from 1 . 7 × 10 - 2 to 3 . 0 × 10 - 1 for the considered \( {\Xi}_{bc}^0 \) mass and lifetime hypotheses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Glass Property-Composition Models Update for use in Direct Feed High-Level Waste Flowsheet Development: EWG2.6

A set of preliminary glass property models and constraints were developed and augmented by models from literature for use in design of direct-feed high-level waste (DFHLW) glasses for flowsheet evaluation, testing, and design of the Waste Treatment and Immobilization Plant (WTP) high-level waste (HLW) Facility. These models and constraints are meant to be used as a place-holder while glass property-composition data gaps are filled and final plant operating models are developed. This report describes the motivation and intended use of the models, the compilation of data, model fitting and selection, methods to apply the models and constraints in glass design and offers example calculations demonstrating their intended use.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Search for a W' boson decaying to a vector-like quark and a top or bottom quark in the all-jets final state at $\sqrt{\mathrm{s}}$ = 13 TeV

A search is presented for a heavy W' boson resonance decaying to a B or T vector-like quark and a t or a b quark, respectively. The analysis is performed using proton-proton collisions collected with the CMS detector at the LHC. The data correspond to an integrated luminosity of 138 fb -1 at a center-of-mass energy of 13 TeV. Both decay channels result in a signature with a t quark, a Higgs or Z boson, and a b quark, each produced with a significant Lorentz boost. The all-hadronic decays of the Higgs or Z boson and of the t quark are selected using jet substructure techniques to reduce standard model backgrounds, resulting in a distinct three-jet W' boson decay signature. No significant deviation in data with respect to the standard model background prediction is observed. Upper limits are set at 95% confidence level on the product of the W' boson cross section and the final state branching fraction. A W' boson with a mass below 3.1 TeV is excluded, given the benchmark model assumption of democratic branching fractions. In addition, limits are set based on generalizations of these assumptions. These are the most sensitive limits to date for this final state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

PV Reliability Lessons from 100,000 Systems

Despite the importance of reliability to the cost competitiveness of PV, large data sets enabling high-level investigation of the technology’s performance in the field are relatively scarce. Dirk C. Jordan, Chris Deline, Bill Marion and Teresa Barnes of the National Renewable Energy Laboratory, and Mark Bolinger of the Lawrence Berkeley National Laboratory study a unique data set of 100,000 PV systems in the US, drawing out tips for better reliability that have relevance to other parts of the world.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2021

Theoretical kinetics predictions for NH 2 + HO 2

Recent modeling studies of NH 3 oxidation, which are motivated by the prospective role of ammonia as a zero-carbon fuel, have indicated significant discrepancies between existing literature mechanisms. In this study high level theoretical kinetics predictions have been obtained for the reaction of NH 2 with HO 2 , which has previously been highlighted as an important reaction with high sensitivity and high uncertainty. The potential energy surface is explored with coupled cluster calculations including large basis sets and high-level corrections to yield high accuracy (~0.2 kcal/mol) estimates of the stationary point energies. Variational transition state theory is used to predict the microcanonical rate constants, which are then incorporated in master equation treatments of the temperature and pressure dependent kinetics. For the radical-radical channels, the microcanonical rates are obtained from variable reaction coordinate transition state theory implementing directly evaluated multireference electronic energies. The analysis yields predictions for the total rate constant as well as the branching to the NH 3 + O 2 , H 2 NO + OH, and HNO + H 2 O channels. Rate constants are also reported for the H 2 NO + OH reaction as they arise naturally from the analysis. The rate constant and branching fraction determined in this work for the NH 2 + HO 2 reaction deviate significantly from values used in most previous modeling studies. The fact that the main product channel is chain terminating, rather than propagating, has strong implications for modeling NH 3 ignition and oxidation, in particular at intermediate temperatures and elevated pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A Full-Stack Exploration of Language-Based Parallelism in Fortran 2023

This poster explores native parallel features in Fortran 2023 through the lens of supporting applications with libraries, compilers, and parallel runtimes. The language revision informally named Fortran 2008 introduced parallelism in the form of Single Program Multiple Data (SPMD) execution with two broad feature sets: (1) loop-level parallelism via do concurrent and (2) a Partitioned Global Address Space (PGAS) comprised of distributed “coarray” data structures. Fortran’s native parallelism has demonstrated high performance [1] and reduced the burden of inserting what sometimes amounts to more directives than code. Several compilers support both feature sets, typically by translating do concurrent into serial do loops annotated by parallel directives and by translating SPMD/PGAS features into direct calls to a communication library. Our research focuses primarily on two questions: (1) can the compiler’s parallel runtime library be developed in the language being compiled (Fortran) and (2) can we define an interface to the runtime that liberates compilers from being hardwired to one runtime and vice versa. We are answering these questions by developing the Parallel Runtime Interface for Fortran (PRIF) [2] and the Co-Array Fortran Framework of Efficient Interfaces to Network Environments (Caffeine) [3]. Caffeine is initially targeting adoption by LLVM Flang, a new open-source Fortran compiler developed by a broad community in industry, academia, and government labs. We are also exploring the use of these features in Inference-Engine, a deep learning library designed to facilitate neural network training and inference for high-performance computing applications written in modern Fortran.

Rasmussen, Katherine↗
DOE OSTI2022

Search for Higgs boson pair production in the two bottom quarks plus two photons final state in p p collisions at s = 13 TeV with the ATLAS detector

Searches are performed for nonresonant and resonant di-Higgs boson production in the $b\bar{b}γγ$ final state. The dataset used corresponds to an integrated luminosity of 139 fb –1 of proton–proton collisions at a center-of-mass energy of 13 TeV recorded by the ATLAS detector at the CERN Large Hadron Collider. No excess above the expected background is found and upper limits on the di-Higgs boson production cross sections are set. A 95% confidence-level upper limit of 4.2 times the cross section predicted by the Standard Model is set on pp → HH nonresonant production, where the expected limit is 5.7 times the Standard Model predicted value. The expected constraints are obtained for a background hypothesis excluding pp → HH production. The observed (expected) constraints on the Higgs boson trilinear coupling modifier κ λ are determined to be [–1.5, 6.7] ([– 2.4, 7.7]) at 95% confidence level, where the expected constraints on κ λ are obtained excluding pp → HH production from the background hypothesis. For resonant production of a new hypothetical scalar particle X (X → HH → $b\bar{b}γγ$), limits on the cross section for pp → X → HH are presented in the narrow-width approximation as a function of m X in the range 251 GeV ≤ m X ≤ 1000 GeV. The observed (expected) limits on the cross section for pp → X → HH range from 640 fb to 44 fb (391 fb to 46 fb) over the considered mass range.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗