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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 OSTI2023

Cosmological constraints from the Subaru Hyper Suprime-Cam year 1 shear catalogue lensing convergence probability distribution function

Here we utilize the probability distribution function (PDF) of normalized convergence maps reconstructed from the Subaru Hyper Suprime-Cam (HSC) year 1 shear catalogue, in combination with the power spectrum, to measure the matter clustering amplitude S 8 = σ 8 $\sqrt {Ω_{m}/0.3}$. The large-scale structure’s statistical properties are incompletely described by the traditional two-point statistics, motivating our investigation of the PDF—a complementary higher-order statistic. By defining the PDF over the standard-deviation-normalized convergence map, we are able to isolate the non-Gaussian information. We use tailored simulations to compress the data vector and construct a likelihood approximation. We mitigate the impact of survey and astrophysical systematics with cuts on smoothing scales, redshift bins, and data vectors. We find S 8 = $0.860^{+0.066}_{–0.109}$ from the PDF alone and S 8 = 0.798$^{+0.029}_{–0.042}$ from the combination of the PDF and power spectrum (68% confidential level (CL)). The PDF improves the power-spectrum-only constraint by about 10%.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Generic two-phase coexistence in a type-2 Schloegl model for autocatalysis on a square lattice: Analysis via heterogeneous master equations

Schloegl's second model (also known as the quadratic contact process) on a square lattice involves spontaneous annihilation of particles at lattice sites at rate p, and their autocatalytic creation at unoccupied sites with n ≥ 2 occupied neighbors at rate k n . Here, kinetic Monte Carlo (KMC) simulation reveals that these models exhibit a nonequilibrium discontinuous phase transition with generic two-phase coexistence: the p value for equistability of coexisting populated and vacuum states, p eq (S), depends on the orientation or slope, S, of a planar interface separating those phases. The vacuum state displaces the populated state for p > eq (S), and the opposite applies for p < p eq (S) for 0 < S < ∞. The special “combinatorial” rate choice k n = n(n–1)/12 facilitates an appealing simplification of the exact master equations for the evolution of spatially heterogeneous states in the model, which aids analytic investigation of these equations via hierarchical truncation approximations. Truncation produces coupled sets of lattice differential equations which can describe orientation-dependent interface propagation and equistability. The pair approximation predicts that p eq (max) = p eq (S = 1) = 0.09645 and p eq (min) = p eq (S → ∞) = 0.08827, values deviating less than 15% from KMC predictions. In the pair approximation, a perfect vertical interface is stationary for all p < p eq (S = ∞) = 0.08907, a value exceeding p eq (S → ∞). One can regard an interface for large S → ∞ as a vertical interface decorated with isolated kinks. For p < p eq (S = ∞), the kink can move in either direction along this otherwise stationary interface depending upon p, but for p = p eq (min) the kink is also stationary.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Post-Deposition Recrystallization of Co-Evaporated CuIn x Ga (1-x) Se 2 Films by Bromide Vapor Treatments

CIGS films deposited at 400°C onto molybdenum-coated soda-lime glass substrates by co-evaporation were annealed in InBr 3 vapors or CuBr with Se vapors. The treatments were conducted at 400°C, 450°C, or 500°C for one hour. The InBr 3 treatments above 400°C and CuBr with Se treatments at 500°C resulted in increased grain size, improved crystallinity, and a decrease in Cu 2 Se phase. Annealed samples also exhibited large surface facets. CIGS films deposited at 350°C were also investigated in InBr 3 and CuBr with Se vapors at 450°C for one hour. Furthermore, these treatments resulted in increased grain size and less deviations from the as-deposited composition.

14 SOLAR ENERGY↗
DOE OSTI2014

MO-G-BRE-03: Automated Continuous Monitoring of Patient Setup with Second-Check Independent Image Registration

Purpose: To create a non-supervised quality assurance program to monitor image-based patient setup. The system acts a secondary check by independently computing shifts and rotations and interfaces with Varian's database to verify therapist's work and warn against sub-optimal setups. Methods: Temporary digitally-reconstructed radiographs (DRRs) and OBI radiographic image files created by Varian's treatment console during patient setup are intercepted and used as input in an independent registration module customized for accuracy that determines the optimal rotations and shifts. To deal with the poor quality of OBI images, a histogram equalization of the live images to the DDR counterparts is performed as a pre-processing step. A search for the most sensitive metric was performed by plotting search spaces subject to various translations and convergence analysis was applied to ensure the optimizer finds the global minima. Final system configuration uses the NCC metric with 150 histogram bins and a one plus one optimizer running for 2000 iterations with customized scales for translations and rotations in a multi-stage optimization setup that first corrects and translations and subsequently rotations. Results: The system was installed clinically to monitor and provide almost real-time feedback on patient positioning. On a 2 month-basis uncorrected pitch values were of a mean 0.016° with standard deviation of 1.692°, and couch rotations of − 0.090°± 1.547°. The couch shifts were −0.157°±0.466° cm for the vertical, 0.045°±0.286 laterally and 0.084°± 0.501° longitudinally. Uncorrected pitch angles were the most common source of discrepancies. Large variations in the pitch angles were correlated with patient motion inside the mask. Conclusion: A system for automated quality assurance of therapist's registration was designed and tested in clinical practice. The approach complements the clinical software's automated registration in terms of algorithm configuration and performance and constitutes a practical approach to implement safe and cost-effective radiotherapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Search for single production of vector-like quarks decaying into Wb in pp collisions at $\sqrt{s} = 8$ TeV with the ATLAS detector

A search for singly produced vector-like Q quarks, where Q can be either a T quark with charge +2/3 or a Y quark with charge –4/3, is performed in proton–proton collisions recorded with the ATLAS detector at the LHC. The dataset corresponds to an integrated luminosity of 20.3 fb –1 and was produced with a centre-of-mass energy of √s = 8 TeV. This analysis targets Q → Wb decays where the W boson decays leptonically. A veto on massive large-radius jets is used to reject the dominant tt¯ background. The reconstructed Q-candidate mass, ranging from 0.4 to 1.2 TeV, is used in the search to discriminate signal from background processes. No significant deviation from the Standard Model expectation is observed, and limits are set on the Q → Wb cross-section times branching ratio. The results are also interpreted as limits on the QWb coupling and the mixing with the Standard Model sector for a singlet T quark or a Y quark from a doublet. T quarks with masses below 0.95 TeV are excluded at 95 % confidence level, assuming a unit coupling and a BR(T → Wb) = 0.5, whereas the expected limit is 1.10 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for heavy Majorana or Dirac neutrinos and right-handed $W$ gauge bosons in final states with charged leptons and jets in $pp$ collisions at $\sqrt{s}=13$ TeV with the ATLAS detector

A search for heavy right-handed Majorana or Dirac neutrinos N R and heavy right-handed gauge bosons W R is performed in events with energetic electrons or muons, with the same or opposite electric charge, and energetic jets. The search is carried out separately for topologies of clearly separated final-state products (“resolved” channel) and topologies with boosted final states with hadronic and/or leptonic products partially overlapping and reconstructed as a large-radius jet (“boosted” channel). The events are selected from pp collision data at the LHC with an integrated luminosity of 139 fb -1 collected by the ATLAS detector at $\sqrt{s}=13$ TeV. No significant deviations from the Standard Model predictions are observed. The results are interpreted within the theoretical framework of a left-right symmetric model, and lower limits are set on masses in the heavy right handed W R boson and N R plane. The excluded region extends to about m(W R ) = 6.4 TeV for both Majorana and Dirac N R neutrinos at m(N R ) < 1 TeV. N R with masses of less than 3.5 (3.6) TeV are excluded in the electron (muon) channel at m(W R ) = 4.8 TeV for the Majorana neutrinos, and lim its of m(N R ) up to 3.6 TeV for m(W R ) = 5.2 (5.0) TeV in the electron (muon) channel are set for the Dirac neutrinos. These constitute the most stringent exclusion limits to date for the model considered.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Significantly Improving Regional Seismic Amplitude Tomography at Higher Frequencies by Determining S -Wave Bandwidth

Characterizing regional seismic signals continues to be a difficult problem due to their variability. Calibration of these signals is very important to many aspects of monitoring underground nuclear explosions, including detecting seismic signals, discriminating explosions from earthquakes, and reliably estimating magnitude and yield. Amplitude tomography, which simultaneously inverts for source, propagation, and site effects, is a leading method of calibrating these signals. A major issue in amplitude tomography is the data quality of the input amplitude measurements. Pre-event and prephase signal-to-noise ratio (SNR) tests are typically used but can frequently include bad signals and exclude good signals. The deficiencies of SNR criteria, which are demonstrated here, lead to large calibration errors. To ameliorate these issues, we introduce a semi-automated approach to assess the bandwidth of a spectrum where it behaves physically. We determine the maximum frequency (denoted as F max ) where it deviates from this behavior due to inflections at which noise or spurious signals start to bias the spectra away from the expected decay. We compare two amplitude tomography runs using the SNR and new F max criteria and show significant improvements to the stability and accuracy of the tomography output for frequency bands higher than 2 Hz by using our assessments of valid S-wave bandwidth. We compare Q estimates, P/S residuals, and some detailed results to explain the improvements. Lastly, for frequency bands higher than 4 Hz, needed for effective P/S discrimination of explosions from earthquakes, the new bandwidth criteria sufficiently fix the instabilities and errors so that the residuals and calibration terms are useful for application.

58 GEOSCIENCES↗
DOE OSTI2022

The Pantheon+ Analysis: Evaluating Peculiar Velocity Corrections in Cosmological Analyses with Nearby Type Ia Supernovae

Separating the components of redshift due to expansion and peculiar motion in the nearby universe (z < 0.1) is critical for using Type Ia Supernovae (SNe Ia) to measure the Hubble constant (H 0 ) and the equation-of-state parameter of dark energy (w). Here, we study the two dominant "motions" contributing to nearby peculiar velocities: large-scale, coherent-flow (CF) motions and small-scale motions due to gravitationally associated galaxies deemed to be in a galaxy group. We use a set of 584 low-z SNe from the Pantheon+ sample, and evaluate the efficacy of corrections to these motions by measuring the improvement of SN distance residuals. We study multiple methods for modeling the large and small-scale motions and show that, while group assignments and CF corrections individually contribute to small improvements in Hubble residual scatter, the greatest improvement comes from the combination of the two (relative standard deviation of the Hubble residuals, Rel. SD, improves from 0.167 to 0.157 mag). We find the optimal flow corrections derived from various local density maps significantly reduce Hubble residuals while raising H 0 by ~0.4 km s -1 Mpc -1 as compared to using CMB redshifts, disfavoring the hypothesis that unrecognized local structure could resolve the Hubble tension. We estimate that the systematic uncertainties in cosmological parameters after optimally correcting redshifts are 0.06–0.11 km s -1 Mpc -1 in H 0 and 0.02–0.03 in w which are smaller than the statistical uncertainties for these measurements: 1.5 km s -1 Mpc -1 for H 0 and 0.04 for w.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

A priori filtered chemical source term modeling for LES of high Karlovitz number premixed flames

Assumptions behind closure models for the filtered source term are studied a priori using results from DNS of turbulent n-heptane/air premixed flames at varying Karlovitz numbers. Simulations with both detailed chemistry and tabulated chemistry, as well as unity and non-unity Lewis numbers, are used to determine if finite-rate chemistry and differential diffusion effects affect the filtered chemical source terms. While the unfiltered source term shows large fluctuations, the filtered source terms from detailed chemistry and tabulated chemistry are in good agreement at sufficiently large filter widths (Δ ≳ l F ). Using the concept of optimal estimators, it is shown that a tabulation approach using the filtered progress variable and its variance can predict accurately the filtered chemical source terms. Finally, the filtered source terms from the DNS are compared to predictions from two commonly assumed sub-filter probability density function models. Both models show deviations from the filtered DNS source terms but predict accurately the mean turbulent flame speed. In conclusion, the results illustrate the potential of using simple tabulated chemistry approaches based on presumed PDFs for LES of premixed flames in the thin and distributed reaction zones regimes.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Magnitude and timescale of liquid water path adjustments to cloud droplet number concentration perturbations for nocturnal non-precipitating marine stratocumulus

Cloud liquid water path (L) adjusts to perturbations in cloud droplet number concentration (N) over time. We explore the magnitude and timescale of this adjustment in nocturnal non-precipitating marine stratocumuli using large eddy simulations of baseline conditions and aerosol seeding experiments for 22 meteorological conditions. The results confirm that the L adjustment (δL) slope (k) is more negative for simulation pairs with relatively low N and less negative for high N. Overall, k is unlikely to be lower than −0.4 within 24 h of seeding start, meaning the L adjustment is unlikely to fully offset the brightening due to the Twomey effect. After seeding, the δL becomes increasingly negative, which can be characterized by an exponential convergence. This evolution is governed by a short timescale around 5 h and lasts for around 8–12 h. It is driven by the feedback between entrainment, L, and boundary layer (BL) turbulence. Other processes, including radiation, surface fluxes, and subsidence, respond to the seeding weakly. This short timescale is insensitive to the amount of seeding, making the evolution of δL and some other deviations similar for different seeding amounts after appropriate scaling. The timescale of k evolution is closely related to the δL timescale and hence also short, while it could also be affected by the δN evolution. The results are most relevant to conditions where seeding is applied to a large area of marine stratocumulus in well-mixed and overcast BL where shear is not a primary source of turbulence.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Intrinsic plasma rotation and Reynolds stress at the plasma edge in the HSX stellarator

Using multi-tipped Langmuir probes in the edge of the HSX stellarator, the radial electric field and parallel flows are found to deviate from the values calculated by the neoclassical transport code PENTA for the optimized quasi-helically symmetric (QHS) configuration. To understand whether Reynolds stress might explain the discrepancy, fluctuating floating potential measurements are made at two locations in the torus corresponding to the low field and high field sides of the device. The measurements at the two locations show clear evidence of a gradient in the Reynolds stress. However, the resulting flow due to the gradient in the stress is found to be large and in opposite directions for the two locations. This makes an estimation of the flux surface average using a small number of measurement locations impractical from an experimental perspective. These results neither confirm nor rule out whether Reynolds stress plays an important role for the QHS configuration. Measurements made in configurations with the quasi-symmetry degraded show even larger flows and greater deviations from the neoclassically calculated velocity profiles than the QHS configuration while the fluctuation magnitudes are reduced. Lastly, for these configurations in particular, the Reynolds stress is most likely not responsible for the additional momentum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Evidence of pair production of longitudinally polarised vector bosons and study of CP properties in ZZ → 4ℓ events with the ATLAS detector at $ \sqrt{s} $ = 13 TeV

A study of the polarisation and CP properties in ZZ production is presented. The used data set corresponds to an integrated luminosity of 140 fb –1 of proton-proton collisions at a centre-of-mass energy of 13 TeV recorded by the ATLAS detector at the Large Hadron Collider. The ZZ candidate events are reconstructed using two same-flavour opposite-charge electron or muon pairs. The production of two longitudinally polarised Z bosons is measured with a significance of 4.3 standard deviations, and its cross-section is measured in a fiducial phase space to be 2.45 ± 0.60 fb, consistent with the next-to-leading-order Standard Model prediction. The inclusive differential cross-section as a function of a CP-sensitive angular observable is also measured. The results are used to constrain anomalous CP-odd neutral triple gauge couplings.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Reynolds stress tensor measurements using magnetic resonance velocimetry: expansion of the dynamic measurement range and analysis of systematic measurement errors

This study presents magnetic resonance velocimetry (MRV) Reynolds Stress measurements in a periodic hill channel with a hill Reynolds number of Re = 29,500. The velocity encoding scheme is based on the ICOSA6 method with six icosahedral encoding directions and multiple encoding values are measured to increase the dynamic range. The full Reynolds stress tensor is obtained from a voxel-wise three-dimensional Gaussian fit using the magnitude data of all acquisitions. The MRV results are compared to a wall-resolved large eddy simulation and laser Doppler velocimetry measurements conducted in the same channel. It is shown that the MRV Reynolds stress data have excellent precision and agree qualitatively with the reference data. However, there are apparent systematic deviations. One of the most prominent error contributions is the signal attenuation caused by higher orders of motion, which leads to an overestimation of the turbulence level. Another fundamental error is identified in the assumption that the turbulence is Gaussian distributed. With the presented reconstruction technique, the MRV data are fitted to a statistical model, and depending on the examined flow setup, the Gaussian model can lead to considerable errors. Possible ways of how to reduce all identified errors are presented. In summary, this technique enables Reynolds stress tensor measurements in complex internal flows with high dynamic range and excellent precision. However, several issues need to be resolved to make the turbulence quantification more accurate.

42 ENGINEERING↗
DOE OSTI2025

Search for dark matter produced in association with one or two top quarks in proton-proton collisions at $\sqrt{\text{s}}$ = 13 TeV

A search is performed for dark matter (DM) produced in association with a single top quark or a pair of top quarks using the data collected with the CMS detector at the LHC from proton-proton collisions at a center-of-mass energy of 13 TeV, corresponding to 138 fb −1 of integrated luminosity. An excess of events with a large imbalance of transverse momentum is searched for across 0, 1 and 2 lepton final states. Novel multivariate techniques are used to take advantage of the differences in kinematic properties between the two DM production mechanisms. No significant deviations with respect to the standard model predictions are observed. The results are interpreted considering a simplified model in which the mediator is either a scalar or pseudoscalar particle and couples to top quarks and to DM fermions. Axion-like particles that are coupled to top quarks and DM fermions are also considered. Expected exclusion limits of 410 and 380 GeV for scalar and pseudoscalar mediator masses, respectively, are set at the 95% confidence level. A DM particle mass of 1 GeV is assumed, with mediator couplings to fermions and DM particles set to unity. A small signal-like excess is observed in data, with the largest local significance observed to be 1.9 standard deviations for the 150 GeV pseudoscalar mediator hypothesis. Because of this excess, mediator masses are only excluded below 310 (320) GeV for the scalar (pseudoscalar) mediator. The results are also translated into model-independent 95% confidence level upper limits on the visible cross section of DM production in association with top quarks, ranging from 1 pb to 0.02 pb.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Role of Electron Correlation beyond the Active Space in Achieving Quantitative Predictions of Spin-Phonon Relaxation

Single-molecule magnets (SMMs) are promising candidates for molecular-scale data storage and processing due to their strong magnetic anisotropy and long spin relaxation times. However, as temperature rises, interactions between electronic states and lattice vibrations accelerate spin relaxation, significantly limiting their practical applications. Recently, ab initio simulations have made it possible to advance our understanding of phonon-induced magnetic relaxation, but significant deviations from experiments have often been observed. The description of molecules’ electronic structure has been mostly based on complete active space self-consistent field (CASSCF) calculations, and the impact of electron correlation beyond the active space remains largely unexplored. In this study, we provide the first systematic investigation of spin-phonon relaxation in SMMs with post-CASSCF multiconfigurational methods, specifically CAS followed by second-order perturbation theory and multiconfiguration pair-density functional theory. Taking Co(II)- and Dy(III)-based SMMs as case studies, we analyze how electron correlation influences spin-phonon relaxation rates across a range of temperatures, comparing theoretical predictions with experimental observations. Our findings demonstrate that post-CASSCF treatments make it possible to achieve quantitative predictions for Co(II)-based SMMs. For Dy(III)-based systems, however, accurate predictions require consideration of additional effects, underscoring the urgent necessity of further advancing the study of the effects of electronic correlation in these complex systems.

Energy↗
DOE OSTI2014

Planck 2013 results. XVI. Cosmological parameters

This paper presents the first cosmological results based on Planck measurements of the cosmic microwave background (CMB) temperature and lensing-potential power spectra. We find that the Planck spectra at high multipoles (&ell; ≳ 40) are extremely well described by the standard spatially-flat six-parameter ΛCDM cosmology with a power-law spectrum of adiabatic scalar perturbations. Within the context of this cosmology, the Planck data determine the cosmological parameters to high precision: the angular size of the sound horizon at recombination, the physical densities of baryons and cold dark matter, and the scalar spectral index are estimated to be θ &lowast; = (1.04147 ± 0.00062) × 10 -2 , Ω b h 2 = 0.02205 ± 0.00028, Ω c h 2 = 0.1199 ± 0.0027, and n s = 0.9603 ± 0.0073, respectively (note that in this abstract we quote 68% errors on measured parameters and 95% upper limits on other parameters). For this cosmology, we find a low value of the Hubble constant, H 0 = (67.3 ± 1.2) km s -1 Mpc -1 , and a high value of the matter density parameter, Ω m = 0.315 ± 0.017. These values are in tension with recent direct measurements of H 0 and the magnitude-redshift relation for Type Ia supernovae, but are in excellent agreement with geometrical constraints from baryon acoustic oscillation (BAO) surveys. Including curvature, we find that the Universe is consistent with spatial flatness to percent level precision using Planck CMB data alone. We use high-resolution CMB data together with Planck to provide greater control on extragalactic foreground components in an investigation of extensions to the six-parameter ΛCDM model. We present selected results from a large grid of cosmological models, using a range of additional astrophysical data sets in addition to Planck and high-resolution CMB data. None of these models are favoured over the standard six-parameter ΛCDM cosmology. The deviation of the scalar spectral index from unity is insensitive to the addition of tensor modes and to changes in the matter content of the Universe. We find an upper limit of r 0.002 < 0.11 on the tensor-to-scalar ratio. There is no evidence for additional neutrino-like relativistic particles beyond the three families of neutrinos in the standard model. Using BAO and CMB data, we find N eff = 3.30 ± 0.27 for the effective number of relativistic degrees of freedom, and an upper limit of 0.23 eV for the sum of neutrino masses. Our results are in excellent agreement with big bang nucleosynthesis and the standard value of N eff = 3.046. We find no evidence for dynamical dark energy; using BAO and CMB data, the dark energy equation of state parameter is constrained to be w = -1.13 -0.10 +0.13 . We also use the Planck data to set limits on a possible variation of the fine-structure constant, dark matter annihilation and primordial magnetic fields. Despite the success of the six-parameter ΛCDM model in describing the Planck data at high multipoles, we note that this cosmology does not provide a good fit to the temperature power spectrum at low multipoles. The unusual shape of the spectrum in the multipole range 20 ≲ &ell; ≲ 40 was seen previously in the WMAP data and is a real feature of the primordial CMB anisotropies. The poor fit to the spectrum at low multipoles is not of decisive significance, but is an "anomaly" in an otherwise self-consistent analysis of the Planck temperature data.

79 ASTRONOMY AND ASTROPHYSICS↗