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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Search for pair production of heavy vector-like quarks decaying into high-p T W bosons and top quarks in the lepton-plus-jets final state in pp collisions at $ \sqrt{s}=13$ TeV with the ATLAS detector

A search is presented for the pair production of heavy vector-like B quarks, primarily targeting B quark decays into a W boson and a top quark. The search is based on 36.1 fb -1 of pp collisions at s√=13 TeV recorded in 2015 and 2016 with the ATLAS detector at the CERN Large Hadron Collider. Data are analysed in the lepton-plus-jets final state, characterised by a high-transverse-momentum isolated electron or muon, large missing transverse momentum, and multiple jets, of which at least one is b-tagged. No significant deviation from the Standard Model expectation is observed. The 95% confidence level lower limit on the B mass is 1350 GeV assuming a 100% branching ratio to Wt. In the SU(2) singlet scenario, the lower mass limit is 1170 GeV. The 100% branching ratio limits are found to be also applicable to heavy vector-like X production, with charge +5/3, that decay into Wt. In conclusion, this search is also sensitive to a heavy vector-like B quark decaying into other final states (Zb and Hb) and thus mass limits on B production are set as a function of the decay branching ratios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Constraints on the CKM angle γ from B ± → Dh ± decays using D → h ± h' ∓ π 0 final states

A data sample collected with the LHCb detector corresponding to an integrated luminosity of 9 fb –1 is used to measure eleven CP violation observables in B ± → Dh ± decays, where h is either a kaon or a pion. The neutral D meson decay is reconstructed in the three-body final states: K ± π ∓ π o ; π + π – π o ; K + K – π o and the suppressed π ± K ∓ π o combination. The mode where a large CP asymmetry is expected, B ± → [π ± K ∓ π o ] D K ± , is observed with a significance greater than seven standard deviations. The ratio of the partial width of this mode relative to that of the favoured mode, B ± → [K ± π ∓ π o ] D K ± , is R ADS(K) = (1.27 ± 0.16 ± 0.02) × 10 –2 . Evidence for a large CP asymmetry is also seen: A ADS(K) = –0.38 ± 0.12 ± 0.02. Constraints on the CKM angle γ are calculated from the eleven reported observables.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

A Review of Global Precipitation Data Sets: Data Sources, Estimation, and Intercomparisons

Abstract In this paper, we present a comprehensive review of the data sources and estimation methods of 30 currently available global precipitation data sets, including gauge‐based, satellite‐related, and reanalysis data sets. We analyzed the discrepancies between the data sets from daily to annual timescales and found large differences in both the magnitude and the variability of precipitation estimates. The magnitude of annual precipitation estimates over global land deviated by as much as 300 mm/yr among the products. Reanalysis data sets had a larger degree of variability than the other types of data sets. The degree of variability in precipitation estimates also varied by region. Large differences in annual and seasonal estimates were found in tropical oceans, complex mountain areas, northern Africa, and some high‐latitude regions. Overall, the variability associated with extreme precipitation estimates was slightly greater at lower latitudes than at higher latitudes. The reliability of precipitation data sets is mainly limited by the number and spatial coverage of surface stations, the satellite algorithms, and the data assimilation models. The inconsistencies described limit the capability of the products for climate monitoring, attribution, and model validation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Lattice Relaxations in Bixbyite‐Structured Rare‐Earth Sesquioxides

This report examines atomic relaxations in rare‐earth sesquioxides with the cubic bixbyite crystal structure. In particular, the experimentally determined unit cell atom positions in bixbyite compounds are compared to “ideal” bixbyite atom positions, where the concept of ideality is based on similarities between the bixbyite and fluorite crystal structures. Analyses indicate that all rare‐earth sesquioxide compounds deviate from ideality in similar ways and that there is a trend wherein the magnitudes of these atomic deviations decrease with increasing cationic size. The deviations from an ideal, fluorite‐like structure produce highly distorted coordination polyhedra and variations in metal‐oxygen bond lengths. A modified bond valence sum analysis revealed that the first nearest neighbor cation‐anion bond length variations lead to large (20%) variations in cation‐anion bond strength. This report also provides a qualitative analysis regarding the accuracy of atomic relaxed deviation parameters, based on x‐ray diffraction measurements. The analysis indicates that uncertainties in the accuracy of measured oxygen relaxed deviation parameters in bixbyite sesquioxides are likely much greater than the published uncertainties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Emergent Low-Symmetry Phases and Large Property Enhancements in Ferroelectric KNbO 3 Bulk Crystals [Emergent Low-Symmetry Phases with Large Property Enhancement in Ferroelectric KNbO 3 Bulk Crystals]

The design of new or enhanced functionality in materials is traditionally viewed as requiring the discovery of new chemical compositions through synthesis. Large property enhancements may however also be hidden within already well-known materials, when their structural symmetry is deviated from equilibrium through a small local strain or field. Here, the discovery of enhanced material properties associated with a new metastable phase of monoclinic symmetry within bulk KNbO 3 is reported. This phase is found to coexist with the nominal orthorhombic phase at room temperature, and is both induced by and stabilized with local strains generated by a network of ferroelectric domain walls. While the local microstructural shear strain involved is only ≈0.017%, the concurrent symmetry reduction results in an optical second harmonic generation response that is over 550% higher at room temperature. Moreover, the meandering walls of the low-symmetry domains also exhibit enhanced electrical conductivity on the order of 1 S m -1 . In conclusion, this discovery reveals a potential new route to local engineering of significant property enhancements and conductivity through symmetry lowering in ferroelectric crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Search for the direct production of charginos and neutralinos in final states with tau leptons in $\sqrt{s}$ =13 TeV pp collisions with the ATLAS detector

A search for the direct production of charginos and neutralinos in final states with at least two hadronically decaying tau leptons is presented. The analysis uses a dataset of pp collisions corresponding to an integrated luminosity of 36.1 fb -1 , recorded with the ATLAS detector at the Large Hadron Collider at a centre-of-mass energy of 13 TeV. No significant deviation from the expected Standard Model background is observed. Limits are derived in scenarios of $ \tilde{X} $$ \mathbb +\atop{1}$$ \tilde{X}$$ \mathbb -\atop{1}$ pair production and of $ \tilde{X} $$ \mathbb ±\atop{1}$$ \tilde{X}$$ \mathbb 0\atop{2}$ and $ \tilde{X} $$ \mathbb +\atop{1}$$ \tilde{X}$$ \mathbb -\atop{1}$ production in simplified models where the neutralinos and charginos decay solely via intermediate left-handed staus and tau sneutrinos, and the mass of the $ \tilde{τ} $ L state is set to be halfway between the masses of the $ \tilde{X} $$ \mathbb ±\atop{1}$ and the $ \tilde{X}$$ \mathbb 0\atop{1}$. Chargino masses up to 630 GeV are excluded at 95% confidence level in the scenario of direct production of $ \tilde{X} $$ \mathbb +\atop{1}$$ \tilde{X}$$ \mathbb -\atop{1}$ for a massless $ \tilde{X}$$ \mathbb 0\atop{1}$. Common $ \tilde{X} $$ \mathbb ±\atop{1}$ and $ \tilde{X}$$ \mathbb 0\atop{2}$ masses up to 760 GeV are excluded in the case of production of $ \tilde{X} $$ \mathbb ±\atop{1}$$ \tilde{X}$$ \mathbb 0\atop{2}$ and $ \tilde{X} $$ \mathbb +\atop{1}$$ \tilde{X}$$ \mathbb -\atop{1}$ assuming a massless $ \tilde{X}$$ \mathbb 0\atop{1}$. Exclusion limits for additional benchmark scenarios with large and small mass-splitting between the$ \tilde{X} $$ \mathbb ±\atop{1}$ and the $ \tilde{X}$$ \mathbb 0\atop{1}$ are also studied by varying the $ \tilde{τ} $ L mass between the masses of the$ \tilde{X} $$ \mathbb ±\atop{1}$ and the $ \tilde{X}$$ \mathbb 0\atop{1}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Numerical modeling of chemical looping oxidative dehydrogenation of ethane in parallel packed beds

Chemical looping oxidative dehydrogenation (CL-ODH) of ethane has the potential to be a highly efficient alternative to steam cracking for ethylene production. Accurate reactor modeling is of critical importance to efficiently scale up and optimize this new technology. This study reports a one-dimensional, heterogeneous packed bed model to simulate the CL-ODH of ethane to ethylene with a Na 2 MoO 4 -promoted CaTi 0.1 Mn 0.9 O 3 redox catalyst. Here, the overall reaction kinetics was well-described by coupling the gas-phase steam cracking of ethane with the reduction kinetics of the redox catalyst by H 2 and C 2 H 4 . The impact of H 2 on the formation rate of CO 2 byproduct from C 2 H 4 conversion was also thoroughly investigated to validate the applicability of the kinetic model under operational environments. The temperature variation within the different CL-ODH steps and the temperature distribution along the bed were also carefully considered. The accuracy of the model was validated by experiments conducted in a large lab-scale packed bed reactor (200 g catalyst loading), with an average deviation of 2.8% in terms of ethane conversion and ethylene yield. The model was subsequently used to optimize the operating parameters of the CL-ODH reactor, indicating that up to 63.7% single-pass C 2 +olefin yield can be achieved with the current redox catalyst bed whereas further optimization of the redox catalyst to inhibit C 2 H 4 activation can result in 69.4% single-pass C 2 +yield while maintaining low CO 2 selectivity.

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

Edge dislocation mediated anomalous charge transfer in face centered cubic high entropy alloys

The charge transfer in alloys dictates their structural and functional properties. The presence of the line defect can influence the charge transfer characteristics in alloys. The edge dislocation-volume misfit interaction in high entropy alloys is a critical area of interest concerning the development of accurate solid solution strengthening models for these materials. The evolution of the volume misfit of atoms is either studied empirically using Vegard's law or mechanistically using \emph{ab initio} calculations, without considering the effect of edge dislocation on charge transfer explicitly. In this work, we show the influence of edge dislocation on the charge transfer in CoCrFeMnNi, CoCrNi and CoNi using large-scale \emph{ab initio} calculations. The anomalous charge transfer characteristics, in terms of deviations from electronegativity trends, are demonstrated, which are dictated by electronegativity equalisation rather than pair-atom interactions. The deviation of atomic volume in the compressive and tensile stress regions of the edge dislocation is rationalised in terms of anomalous magneto-volume fluctuations in such alloys.

Ghosh, Swarnava [ORNL] (ORCID:0000000338005264)↗
DOE OSTI2024

Non-thermal emission in gap-mode plasmon photoluminescence

Abstract Photoluminescence from spatially inhomogeneous plasmonic nanostructures exhibits fascinating wavelength-dependent nonlinear behaviors due to the intraband recombination of hot electrons excited into the conduction band of the metal. The properties of the excited carrier distribution and the role of localized plasmonic modes are subjects of debate. In this work, we use plasmonic gap-mode resonators with precise nanometer-scale confinement to show that the nonlinear photoluminescence behavior can become dominated by non-thermal contributions produced by the excited carrier population that strongly deviates from the Fermi-Dirac distribution due to the confinement-induced large-momentum free carrier absorption beyond the dipole approximation. These findings open new pathways for controllable light conversion using nonequilibrium electron states at the nanoscale.

Science & Technology - Other Topics↗
DOE OSTI2023

Fast uncertainty estimates in deep learning interatomic potentials

Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and material properties. A common short-coming shared by current approaches, however, is that neural networks only give point estimates of their predictions and do not come with predictive uncertainties associated with these estimates. Existing uncertainty quantification efforts have primarily leveraged the standard deviation of predictions across an ensemble of independently trained neural networks. This incurs a large computational overhead in both training and prediction, resulting in order-of-magnitude more expensive predictions. Here, we propose a method to estimate the predictive uncertainty based on a single neural network without the need for an ensemble. This allows us to obtain uncertainty estimates with virtually no additional computational overhead over standard training and inference. We demonstrate that the quality of the uncertainty estimates matches those obtained from deep ensembles. We further examine the uncertainty estimates of our methods and deep ensembles across the configuration space of our test system and compare the uncertainties to the potential energy surface. Finally, we study the efficacy of the method in an active learning setting and find the results to match an ensemble-based strategy at order-of-magnitude reduced computational cost.

Chemistry↗
DOE OSTI2015

Exploring dark matter microphysics with galaxy surveys

We use present cosmological observations and forecasts of future experiments to illustrate the power of large-scale structure (LSS) surveys in probing dark matter (DM) microphysics and unveiling potential deviations from the standard ΛCDM scenario. To quantify this statement, we focus on an extension of ΛCDM with DM-neutrino scattering, which leaves a distinctive imprint on the angular and matter power spectra. After finding that future CMB experiments (such as COrE+) will not significantly improve the constraints set by the Planck satellite, we show that the next generation of galaxy clustering surveys (such as DESI) could play a leading role in constraining alternative cosmologies and even have the potential to make a discovery. Typically we find that DESI would be an order of magnitude more sensitive to DM interactions than Planck, thus probing effects that until now have only been accessible via N-body simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Testing predictions of the quantum landscape multiverse 2: the exponential inflationary potential

The 2015 Planck data release tightened the region of the allowed inflationary models. Inflationary models with convex potentials have now been ruled out since they produce a large tensor to scalar ratio. Meanwhile the same data offers interesting hints on possible deviations from the standard picture of CMB perturbations. Here we revisit the predictions of the theory of the origin of the universe from the landscape multiverse for the case of exponential inflation, for two reasons: firstly to check the status of the anomalies associated with this theory, in the light of the recent Planck data; secondly, to search for a counterexample whereby new physics modifications may bring convex inflationary potentials, thought to have been ruled out, back into the region of potentials allowed by data. Using the exponential inflation as an example of convex potentials, we find that the answer to both tests is positive: modifications to the perturbation spectrum and to the Newtonian potential of the universe originating from the quantum entanglement, bring the exponential potential, back within the allowed region of current data; and, the series of anomalies previously predicted in this theory, is still in good agreement with current data. Hence our finding for this convex potential comes at the price of allowing for additional thermal relic particles, equivalently dark radiation, in the early universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Resident Tolerance to Transitional Temperature Deviation in Smart Communities

Choosing the right HVAC system or the right algorithm of implementing demand response may create significant energy and environmental gains while maintaining resident comfort. But these questions are closely related to the concept of user comfort, which in turn requires a reasonable fit between user preferences and temperature setpoints. While setting the temperature right is a well-researched question, systems in transition from one setpoint to another are currently not thoroughly addressed in research. But how tolerant the residents really are if a system spends a large share of time outside of the comfort setpoint. This study gives some early insights on how the deviation of temperature from the setpoint affect perceived resident comfort. We use two weeks of data for a smart neighborhood located in Atlanta, GA. We find that the system spends 20% - 50% of time deviating from the setpoint by more than 1℉. However, we do not find that increasing deviations cause resident complaints or increasing overrides.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Efficient Mass Estimate at the Core of Strong Lensing Galaxy Clusters Using the Einstein Radius

In the era of large surveys, yielding thousands of galaxy clusters, efficient mass proxies at all scales are necessary in order to fully utilize clusters as cosmological probes. At the cores of strong lensing clusters, the Einstein radius can be turned into a mass estimate. This efficient method has been routinely used in literature, in lieu of detailed mass models; however, its scatter, assumed to be similar to 30%, has not yet been quantified. Here, we assess this method by testing it against ray-traced images of cluster-scale halos from the Outer RimN-body cosmological simulation. We measure a scatter of 13.9% and a positive bias of 8.8% in M (<θ E ), with no systematic correlation with total cluster mass, concentration, or lens or source redshifts. We find that increased deviation from spherical symmetry increases the scatter; conversely, where the lens produces arcs that cover a large fraction of its Einstein circle, both the scatter and the bias decrease. While spectroscopic redshifts of the lensed sources are critical for accurate magnifications and time delays, we show that for the purpose of estimating the total enclosed mass, the scatter introduced by source redshift uncertainty is negligible compared to other sources of error. Finally, we derive and apply an empirical correction that eliminates the bias, and reduces the scatter to 10.1% without introducing new correlations with mass, redshifts, or concentration. Our analysis provides the first quantitative assessment of the uncertainties in M (<θ E ), and enables its effective use as a core mass estimator of strong lensing galaxy clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Anisotropic positive linear and sub-linear magnetoresistivity in the cubic type-II Dirac metal Pd 3 In 7

We report a transport study on Pd 3 In 7 which displays multiple Dirac type-II nodes in its electronic dispersion. Pd 3 In 7 is characterized by low residual resistivities and high mobilities, which are consistent with Dirac-like quasiparticles. For an applied magnetic field (μ 0 H) having a non-zero component along the electrical current, we find a large, positive, and linear in μ 0 H longitudinal magnetoresistivity (LMR). The sign of the LMR and its linear dependence deviate from the behavior reported for the chiral-anomaly-driven LMR in Weyl semimetals. Interestingly, such anomalous LMR is consistent with predictions for the role of the anomaly in type-II Weyl semimetals. In contrast, the transverse or conventional magnetoresistivity (CMR for electric fields E⊥μ 0 H) is large and positive, increasing by 10 3 –10 4 % as a function of μ 0 H while following an anomalous, angle-dependent power law ρ xx α (μ 0 H) n with n(θ) ≤ 1. The order of magnitude of the CMR, and its anomalous power-law, is explained in terms of uncompensated electron and hole-like Fermi surfaces characterized by anisotropic carrier scattering likely due to the lack of Lorentz invariance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Distributed Parareal in Time with Adaptive Coarse Solver for Large Scale Power System Simulations

This paper describes a distributed Parareal in time algorithm with the adaptive coarse solver. In the distributed algorithm, the propagation of a coarse solution is distributed among processors in addition to the fine solution propagation. In the adaptive coarse solver the complexity of the model is changed based on the size of generator rotor angle deviation. In addition, non-iterative approach to model a ZIP load is presented. The proposed method is tested on the large-scale 5617-machine 70285-bus Eastern Interconnection system.

Osipov, Denis↗
DOE OSTI2015

Technical Note: Study of the electron transport parameters used in PENELOPE for the Monte Carlo simulation of Linac targets

Purpose: The Monte Carlo simulation of electron transport in Linac targets using the condensed history technique is known to be problematic owing to a potential dependence of absorbed dose distributions on the electron step length. In the PENELOPE code, the step length is partially determined by the transport parameters C1 and C2. The authors have investigated the effect on the absorbed dose distribution of the values given to these parameters in the target. Methods: A monoenergetic 6.26 MeV electron pencil beam from a point source was simulated impinging normally on a cylindrical tungsten target. Electrons leaving the tungsten were discarded. Radial absorbed dose profiles were obtained at 1.5 cm of depth in a water phantom located at 100 cm for values of C1 and C2 in the target both equal to 0.1, 0.01, or 0.001. A detailed simulation case was also considered and taken as the reference. Additionally, lateral dose profiles were estimated and compared with experimental measurements for a 6 MV photon beam of a Varian Clinac 2100 for the cases of C1 and C2 both set to 0.1 or 0.001 in the target. Results: On the central axis, the dose obtained for the case C1 = C2 = 0.1 shows a deviation of (17.2% ± 1.2%) with respect to the detailed simulation. This difference decreases to (3.7% ± 1.2%) for the case C1 = C2 = 0.01. The case C1 = C2 = 0.001 produces a radial dose profile that is equivalent to that of the detailed simulation within the reached statistical uncertainty of 1%. The effect is also appreciable in the crossline dose profiles estimated for the realistic geometry of the Linac. In another simulation, it was shown that the error made by choosing inappropriate transport parameters can be masked by tuning the energy and focal spot size of the initial beam. Conclusions: The use of large path lengths for the condensed simulation of electrons in a Linac target with PENELOPE conducts to deviations of the dose in the patient or phantom. Based on the results obtained in this work, values of C1 and C2 larger than 0.001 should not be used in Linac targets without further investigation.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

The role of the spatial heterogeneity and correlation length of surface wettability on two-phase flow in a CO 2 -water-rock system

This study characterized and modeled heterogeneous surface wettability in sandstone and investigated the role of spatial heterogeneity and correlation length of surface wettability on relative permeability in a supercritical CO 2 (scCO 2 )-brine-rock system. Understanding the role of wettability heterogeneity on relative permeability is essential to geological CO 2 sequestration, oil and gas recovery, and contaminated groundwater remediation. Although numerous studies have attempted to understand the influences of surface wettability, capillary number (Ca), and viscosity ratio, the role of the spatial variation and correlation length of surface wettability on two-phase flow in three-dimensional (3D) porous media has not been unraveled due to the challenges in the measurement and representation of realistic rock surface wettability. In this work, we conducted in-situ measurements of surface contact angle (CA) in a Bentheimer sandstone after CO 2 flooding using micro-computed tomography (micro-CT), and found that the pore-scale CA distribution on rock surfaces followed a log-normal distribution associated with a spatial correlation length. Based on the statistical information from CT scanning, a Gaussian random field was used to model CA distributions that had desired standard deviations and spatial correlation lengths, which were then adjusted within a certain range of values for sensitivity analyses to study their combined effects on the two-phase flow in the porous medium using the lattice Boltzmann (LB) method. The LB two-phase flow simulation was accelerated using hybrid, multicore parallel computing to overcome the challenges in simulating multiphase flow in a large 3D domain having 800 × 800 × 600 nodes. The simulation results showed that the surface wettability heterogeneity (i.e., standard deviation of CA) had a lesser effect on the relative permeability of the wetting fluid (water) but a more significant impact on the relative permeability of the non-wetting fluid (scCO 2 ). The Corey model was used to fit the LB-simulated relative permeability curves of water and scCO 2 and showed that the variations in the relative permeability curves for both water and scCO 2 increased as the standard deviation and spatial correlation length of CA increased. This study illustrated that the assumption of homogeneous surface wettability may cause errors in multiphase flow simulations. Furthermore, the impacts of both the standard deviation and spatial correlation length of CAs should be accounted for. This is the first study that explored the spatial correlation lengths associated with CA distributions on sandstone surfaces and comprehensively investigated the roles of both spatial variation and correlation length of CA on two-phase flow properties in 3D porous media. The optimized LB multiphase flow model was proved a powerful tool to study the interplays and combined effects of these statistical parameters, which had critical applications in numerous natural and engineering processes that involved multiphase flow in porous media.

58 GEOSCIENCES↗