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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Assessing the performance of MagLIF with 3D MHD simulations

The Magnetized Liner Inertial Fusion (MagLIF) experimental platform at Sandia National Laboratories has realized a number of recent improvements in electrical current and laser preheat coupling but fusion yields are below expectations, based on modeling with clean (that is, simulations with no interfacial instabilities and no mix) two-dimensional (2D) magneto-hydrodynamics (MHD) simulations, by a factor of 5 or more. However, magnetized liner implosions are known to produce helical magneto-Rayleigh–Taylor (MRT) modes and complex stagnation structures that cannot be directly modeled in 2D. This paper presents the results of 3D HYDRA MHD simulations, including helical MRT, showing that degradation from these instabilities can readily reproduce experimental yields, but it is difficult to simultaneously match the yield along with inferred fuel temperature, pressure, and burn history (assessed with x-rays), which are larger in the experiments considered here. Additional analysis methods and future experiments are proposed to help address the discrepancies. The 3D simulations also show, without substantive improvements to stability, changing the applied Bz or preheat is unlikely to increase performance of MagLIF to the same degree as clean 2D simulations. Finally, the first 3D HYDRA simulations with the Hall term show the ab initio production of helical MRT and produce a clear change in stagnation morphology compared to pre-seeded simulations without Hall. In spite of the differences, the simulations still produce comparable fusion performance but with longer, lower power, neutron yield history.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Investigating the ultraviolet photodissociation of bromocyclopropane with ultrafast electron diffraction

We have studied the photodissociation of gas-phase bromocyclopropane by 200 nm wavelength ultraviolet radiation using ultrafast electron diffraction. Bromocyclopropane is a prototypical molecule in the study of organobromides, a class of molecules that have a significant impact on atmospheric ozone depletion through their photochemistry. Here, previous studies have revealed two possible reaction pathways for the photodissociation of bromine from bromocyclopropane; either the C–Br bond dissociates, leaving behind a cyclopropyl ring, or there is a concerted opening of the cyclopropyl ring along with the C–Br bond dissociation. In this work, both our experimental and simulation results indicate that the majority of the UV-photoexcited BCP molecules (88% ± 11% in the experiment) follow the first reaction pathway, in which the cyclopropyl ring remains closed after homolytic C–Br bond cleavage. This direct bond dissociation occurs within the experimental time resolution of 270 fs. In order to differentiate between the possible reaction end-products, both of which have diffraction signals dominated by the bromine atom, a new analysis method has been employed, which is more sensitive to the structure of the end-products.

Atmospheric chemistry↗
DOE OSTI2025

Reconstruction of 2D line-integrated electron density using angular filter refractometry and a fast marching Eikonal solver

Refraction of an optical probe beam by a plasma can be measured with angular filter refractometry (AFR), which produces an image of the beam’s 2D spatial profile that contains intensity contours corresponding to curves of constant refraction angle. Further analysis is required to reconstruct the underlying line-integrated electron density. Most prior efforts to calculate density from AFR data have been limited to 1D analysis or forward-fitting techniques. Here, in this paper, we detail the use of a fast-marching Eikonal solver to directly invert AFR data and obtain the full 2D line-integrated electron density. The analysis method is first verified with synthetic data and then applied to experimental measurements of single and colliding plasma plumes collected at the OMEGA EP Laser Facility. The calculated densities agree with 1D results and are shown to be consistent with the original AFR measurements via forward modeling. We also discuss ways to improve the precision of this technique.

McCluskey, B. [Princeton Univ., NJ (United States)↗
DOE OSTI2023

Optically controlled single-valley exciton doublet states with tunable internal spin structures and spin magnetization generation

Manipulating quantum states through light–matter interactions has been actively pursued in two-dimensional materials research. Significant progress has been made toward the optical control of the valley degrees of freedom in semiconducting monolayer transition-metal dichalcogenides, based on doubly degenerate excitons from their two distinct valleys in reciprocal space. Here, we introduce a type of optically controllable doubly degenerate exciton states that come from a single valley, dubbed as single-valley exciton doublet (SVXD) states. They are unique in that their constituent holes originate from the same valence band, making possible the direct optical control of the spin structure of the excited constituent electrons. Combining ab initio GW plus Bethe–Salpeter equation ( GW -BSE) calculations and a theoretical analysis method, we demonstrate such SVXD in substrate-supported monolayer bismuthene—which has been successfully grown using molecular beam epitaxy. In each of the two distinct valleys in the Brillouin zone, strong spin–orbit coupling and C 3 v symmetry lead to a pair of degenerate 1s exciton states (the SVXD states) with opposite spin configurations. Any coherent linear combinations of the SVXD in a single valley can be excited by light with a specific polarization, enabling full manipulation of their internal spin configurations. In particular, a controllable net spin magnetization can be generated through light excitation. Our findings open routes to control quantum degrees of freedom, paving the way for applications in spintronics and quantum information science.

2D materials↗
DOE OSTI2025

A Standardized Analysis Process Using Digital Image Correlation to Calculate In Situ Cladding Strain from Modified Burst Tests for Fuel Performance Code Validation

Historical data collection on nuclear fuel cladding materials has focused on generating a statistically significant amount of data to assess the material and its failure behavior. Furthermore, data generated to support material model and failure criteria development were previously posttest evaluations, so a large number of tests was required to gain new understanding. A way to expedite this process is to develop techniques capable of generating large, high-fidelity data sets from a single test with lower uncertainty or quantified uncertainty. One such example of this approach is Oak Ridge National Laboratory’s use of modified burst tests (MBTs) to analyze the mechanical behavior and failure conditions of cladding during a simulated reactivity-initiated accident (RIA). Each test incorporates digital image correlation (DIC) analysis techniques that are used to assess the accumulated strain in situ, as well as eventual cladding failure. This work has been fruitful in defining strain-to-failure conditions for materials like silicon carbide (SiC) fiber–reinforced/SiC matrix composite tubes (SiC/SiC), iron-chromium-aluminum (FeCrAl) alloy tubes, and chromium-coated Zircaloy-4 tubes. However, there are numerous DIC software available, including open-source and proprietary software. The different DIC software use various algorithms to process images and calculate displacement values. Using these different software and algorithms can lead to varying results, and perhaps larger-than-expected uncertainties. In the present study, previously published MBT data encompassing a variety of test conditions were reanalyzed with two different DIC software to assess the variance in the calculated strain results. The data consisted of SiC/SiC, FeCrAl, and chromium-coated Zircaloy-4 tubes. Plots of the calculated strains during the transient revealed good agreement between the two DIC software. The average root-mean-square errors between the two software was 0.20% strain, which is slightly larger than a previously reported error value for these tests. In conclusion, this variance in results is low enough that this analysis method can be used for code validation.

Reactivity-initiated accident↗
DOE OSTI2020

Statistical Modeling and Analysis of k -Layer Coverage of Two-Dimensional Materials in Inkjet Printing Processes

Two-dimensional layered materials/flakes, also known as crystalline atom-thick layer nanosheets, have recently been receiving great attention in electronics fabrication due to their unique and intriguing properties. The k-layer coverage area (i.e., the area covered by k number of overlapping layers) of the printed flake pattern significantly impacts on the properties of the printed electronics. In this work, we constructed a statistical model to describe the k-layer coverage of randomly distributed two-dimensional materials. A series of results are obtained to provide not only the expectation but also the variance of the coverage area. The boundary effects on the random flakes coverage are also studied. In addition, an approximated statistical testing approach is also developed in this work to detect abnormal coverage patterns. Furthermore, the case studies based on simulated data and real flakes images obtained from the inkjet printing process demonstrate the accuracy and effectiveness of the proposed model and analysis methods.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Photon energy-resolved velocity map imaging from spectral domain ghost imaging

Abstract We present an approach that combines photon spectrum correlation analysis with the reconstruction of three-dimensional momentum distribution from velocity map images in an efficient, single-step procedure. We demonstrate its efficacy with the results from the photoionization of the 2 p -shell of argon using the Free-electron LASer in Hamburg free-electron laser (FEL). Distinct spectral features due to the spin-orbit splitting of Ar + ( 2 p − 1 ) are resolved, despite the large average bandwidth of the ionizing pulses from the FEL. This demonstrates a clear advantage over the conventional analysis method, and it will be broadly beneficial for velocity map imaging experiments with FEL sources. The retrieved linewidth of the binding energy spectrum approaches the resolution limitation prescribed by the spectrometers used to collect the data. Our approach presents a path to extend spectral-domain ghost imaging to the case where the photoproduct observable is high-dimensional.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

3D correlations in the Lyman-α forest from early DESI data

We present the first measurements of Lyman-α (Lyα) forest correlations using early data from the Dark Energy Spectroscopic Instrument (DESI). We measure the auto-correlation of Lyα absorption using 88 509 quasars at z > 2, and its cross-correlation with quasars using a further 147 899 tracer quasars at z ≳ 1.77. Then, we fit these correlations using a 13-parameter model based on linear perturbation theory and find that it provides a good description of the data across a broad range of scales. We detect the BAO peak with a signal-to-noise ratio of 3.8σ, and show that our measurements of the auto- and cross-correlations are fully-consistent with previous measurements by the Extended Baryon Oscillation Spectroscopic Survey (eBOSS). Even though we only use here a small fraction of the final DESI dataset, our uncertainties are only a factor of 1.7 larger than those from the final eBOSS measurement. As a result, we validate the existing analysis methods of Lyα correlations in preparation for making a robust measurement of the BAO scale with the first year of DESI data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Magnetic potential based formulation for linear and non-linear 3D RF sheath simulation

Abstract This paper reports a new numerical scheme to simulate the radio-frequency (RF) induced RF sheath, which is suitable for a large 3D simulation. In the RF sheath boundary model, the tangential component of the electric field ( E t ) is given by the gradient of a scalar electric field potential. We introduce two additional scalar potentials for the tangential components of the magnetic field, which effectively impose the normal electric displacement ( D n ) on the plasma sheath boundary condition via in-homogeneous Neumann boundary condition and constrain the tangential electric field on the surface as curl-free ( ∇ × E t = 0 ). In our approach, the non-linear sheath impedance is formulated as a natural extension of the large thickness (or asymptotic) sheath limit ( D n = 0 ), allowing for handling both asymptotic and non-linear regimes seamlessly. The new scheme is implemented using the Petra-M finite element method analysis framework and is verified with simulations in the literature. The significance of non-linearity is discussed in various plasma conditions. An application of this scheme to asymptotic RF sheath simulation on the WEST ICRF antenna side limiters is also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Overview of the ASDEX Upgrade results

After a 26-month vent ASDEX Upgrade (AUG) went back in operation with a newly designed upper W-divertor suitable for alternative divertor configurations (featuring in-vessel coils and cryo-pump). Parameter scans and an extensive set of measurements were obtained and their interpretation is ongoing. Prompted by the ITER wall change, dedicated experiments on non-boronized plasma startup were contrasted to that employing asymmetric and more symmetric boronizations. The asymmetric boronization proved to be as beneficial as the more symmetric one, which is in contrast to previous model calculations assuming perfect sticking of boron (measurements suggest sticking ≈ 0.3). In the startup phase also the impurity influxes at the outboard limiters were investigated contrasting the unboronized case featuring cold edges (low- Z radiation) to the boronized case, in which the lifetime of the boron layers could be estimated. Pedestal stability investigations revealed that the quasi-continuous exhaust (QCE) regime is obtained when ballooning modes are active in the vicinity of the separatrix and the global peeling-ballooning stability is high enough. Thus, at high enough shaping and high gas flux both can be achieved and QCE is a consequence. The closely related enhanced D-alpha (EDA) mode is not clearly distinguishable from QCE, e.g. the quasi-coherent mode characteristic for EDA also shows up in QCE. In QCE the impurity transport is behaving benign as could be measured for Ne with a novel analysis method making use of a comprehensive set of CXRS measurements. For high radiative fractions the regime of the X-point radiator (XPR) is accessible at AUG and the understanding of its access conditions and behaviour is further developed. Due to the localized radiative cooling at the X-point the XPR can be well diagnosed and thus controlled. For negative triangularity shapes, further experiments at increased shaping resulted in strongly heated L-mode plasmas avoiding ELMs. Two integrated modelling approaches towards ITER suggested that core W-accumulation will be no issue for ITER and that the fusion yield in ITER may be Q = 12 (i.e. ITPA20-IL scaling is too pessimistic). Further, investigations of the ITER ramp-down in AUG provide insights into maintaining position control. Various aspects of shattered pellet injection were investigated in AUG and one of the results show that with increasing Ne fraction the radiation during the current quench increases and the current decay becomes faster.

ASDEX Upgrade↗
DOE OSTI2023

SDSS-IV MaNGA: The incidence of major mergers in type I and II AGN host galaxies in the DR15 sample

We present a study on the incidence of major mergers and their impact on the triggering of nuclear activity in 47 type I and 236 type II optically selected AGN from the MaNGA DR15 sample. From an estimate of non-parametric image predictors (Gini, M_20, concentration (C), asymmetry (A), clumpiness (S), Sérsic index (n), and shape asymmetry ()) using the SDSS images, in combination with a Linear Discriminant Analysis Method, we identified major mergers and merger stages. We reinforced our results by looking for bright tidal features in our post-processed SDSS and DESI legacy images. We find a statistically significant higher incidence of major mergers of 29 per cent ± 3 per cent in our type I+II AGN sample compared to 22 per cent ± 0.8 per cent for a non-AGN sample matched in redshift, stellar mass, colour, and morphological type, finding also a prevalence of post-coalescence (51 per cent ± 5 per cent) over pre-coalescence (23 per cent ± 6 per cent) merger stages. The levels of AGN activity among our massive major mergers are similar to those reported in other works using [O iii] tracers. However, similar levels are produced by our AGN-galaxies hosting stellar bars, suggesting that major mergers are important promoters of nuclear activity but are not the main nor the only mechanism behind the AGN triggering. The tidal strength parameter Q was considered at various scales looking for environmental differences that could affect our results on the merger incidence, finding non-significant differences. Finally, the H-H β diagram could be used as an empirical predictor for the flux coming from an AGN source, useful to correct photometric quantities in large AGN samples emerging from surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Constraints on S 8 from a full-scale and full-shape analysis of redshift-space clustering and galaxy–galaxy lensing in BOSS

ABSTRACT We present a novel simulation-based cosmological analysis of galaxy–galaxy lensing and galaxy redshift-space clustering. Compared to analysis methods based on perturbation theory, our simulation-based approach allows us to probe a much wider range of scales, $0.4 \, h^{-1} \, \mathrm{Mpc}$ to $63 \, h^{-1} \, \mathrm{Mpc}$, including highly non-linear scales, and marginalizes over astrophysical effects such as assembly bias. We apply this framework to data from the Baryon Oscillation Spectroscopic Survey LOWZ sample cross-correlated with state-of-the-art gravitational lensing catalogues from the Kilo Degree Survey and the Dark Energy Survey. We show that gravitational lensing and redshift-space clustering when analysed over a large range of scales place tight constraints on the growth-of-structure parameter $S_8 = \sigma _8 \sqrt{\Omega _{\rm m} / 0.3}$. Overall, we infer S8 = 0.792 ± 0.022 when analysing the combination of galaxy–galaxy lensing and projected galaxy clustering and S8 = 0.771 ± 0.027 for galaxy redshift-space clustering. These findings highlight the potential constraining power of full-scale studies over studies analysing only large scales and also showcase the benefits of analysing multiple large-scale structure surveys jointly. Our inferred values for S8 fall below the value inferred from the CMB, S8 = 0.834 ± 0.016. While this difference is not statistically significant by itself, our results mirror other findings in the literature whereby low-redshift large-scale structure probes infer lower values for S8 than the CMB, the so-called S8-tension.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Early events in G-quadruplex folding captured by time-resolved small-angle X-ray scattering

Abstract Time-resolved small-angle X-ray experiments are reported here that capture and quantify a previously unknown rapid collapse of the unfolded oligonucleotide as an early step in the folding of hybrid 1 and hybrid 2 telomeric G-quadruplex structures. The rapid collapse, initiated by a pH jump, is characterized by an exponential decrease in the radius of gyration from 24.3 to 12.6 Å. The collapse is monophasic and is complete in <600 ms. Additional hand-mixing pH-jump kinetic studies show that slower kinetic steps follow the collapse. The folded and unfolded states at equilibrium were further characterized by SAXS studies and other biophysical tools, showing that G4 unfolding was complete at alkaline pH, but not in LiCl solution as is often claimed. The SAXS Ensemble Optimization Method analysis reveals models of the unfolded state as a dynamic ensemble of flexible oligonucleotide chains with a variety of transient hairpin structures. These results suggest a G4 folding pathway in which a rapid collapse, analogous to molten globule formation seen in proteins, is followed by a confined conformational search within the collapsed particle to form the native contacts ultimately found in the stable folded form.

Biochemistry & Molecular Biology↗
DOE OSTI2026

Quantum Filtering and Analysis of Multiplicities in Eigenvalue Spectra

Fine-grained spectral properties of quantum Hamiltonians, including both eigenvalues and their multiplicities, provide useful information for characterizing many-body quantum systems as well as for understanding phenomena such as topological order. Extracting such information with small additive error is #BQP-complete in the worst case. In this work, we introduce QFAMES (quantum filtering and analysis of multiplicities in eigenvalue spectra), a quantum algorithm that efficiently identifies clusters of closely spaced dominant eigenvalues and determines their multiplicities under physically motivated assumptions, which allows us to bypass worst-case complexity barriers. QFAMES also enables the estimation of observable expectation values within targeted energy clusters, providing a powerful tool for studying quantum phase transitions and other physical properties. We validate the effectiveness of QFAMES through numerical demonstrations, including its applications to characterizing quantum phases in the transverse-field Ising model and estimating the ground-state degeneracy of a topologically ordered phase in the two-dimensional toric code model. We also generalize QFAMES to the setting of mixed initial states. Our approach offers rigorous theoretical guarantees and significant advantages over existing subspace-based quantum spectral analysis methods, particularly in terms of the sample complexity and the ability to resolve degeneracies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Femtoscopic correlations of identical charged pions and kaons in $pp$ collisions at $\sqrt{s}$ = 13 TeV with event-shape selection

Collective behavior has been observed in high-energy heavy-ion collisions for several decades. Collectivity is driven by the high particle multiplicities that are produced in these collisions. At the CERN Large Hadron Collider (LHC), features of collectivity have also been seen in high-multiplicity proton-proton collisions that can attain particle multiplicities comparable to peripheral Pb-Pb collisions. One of the possible signatures of collective behavior is the decrease of femtoscopic radii extracted from pion and kaon pairs emitted from high-multiplicity collisions with increasing pair transverse momentum. This decrease can be described in terms of an approximate transverse mass scaling. In the present work, femtoscopic analyses are carried out by the ALICE Collaboration on charged pion and kaon pairs produced in pp collisions at $\sqrt{s}$=13TeV from the LHC to study possible collectivity in pp collisions. The event-shape analysis method based on transverse sphericity is used to select for spherical versus jetlike events, and the effects of this selection on the femtoscopic radii for both charged pion and kaon pairs are studied. This is the first time this selection method has been applied to charged kaon pairs. An approximate transverse-mass scaling of the radii is found in all multiplicity ranges studied when the difference in the Lorentz boost for pions and kaons is taken into account. This observation does not support the hypothesis of collective expansion of hot and dense matter that should only occur in high-multiplicity events. A possible alternate explanation of the present results is based on a scenario of common emission conditions for pions and kaons in pp collisions for the multiplicity ranges studied.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Measurement of forward charged hadron flow harmonics in peripheral PbPb collisions at s N N = 5.02 TeV with the LHCb detector

Flow harmonic coefficients, v n , which are the key to studying the hydrodynamics of the quark-gluon plasma (QGP) created in heavy-ion collisions, have been measured in various collision systems and kinematic regions and using various particle species. The study of flow harmonics in a wide pseudorapidity range is particularly valuable to understand the temperature dependence of the shear viscosity to entropy density ratio of the QGP. This paper presents the first LHCb results of the second- and the third-order flow harmonic coefficients of charged hadrons as a function of transverse momentum in the forward region, corresponding to pseudorapidities between 2.0 and 4.9, using the data collected from PbPb collisions in 2018 at a center-of-mass energy of 5.02 TeV . The coefficients measured using the two-particle angular correlation analysis method are smaller than the central-pseudorapidity measurements at ALICE and ATLAS from the same collision system but share similar features. ©2024 CERN, for the LHCb Collaboration 2024 CERN

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Measurement of flow coefficients in high-multiplicity 𝑝 + Au, 𝑑 + Au, and 3 He + Au collisions at $\sqrt{s_{NN}}$ = 200 GeV

Flow coefficients (𝑣 2 and 𝑣 3 ) are measured in high-multiplicity 𝑝 + Au, 𝑑 + Au, and 3 He + Au collisions at a center-of-mass energy of $\sqrt{s_{NN}}$ = 200 GeV using the STAR detector. The measurements utilize two-particle correlations with a pseudorapidity requirement of |𝜂| < 0.9 and a pair gap of |Δ⁢𝜂| > 1.0. The primary focus is on analysis methods, particularly the subtraction of nonflow contributions. Four established nonflow subtraction methods are applied to determine 𝑣 𝑛 , validated using the HIJING event generator. 𝑣 𝑛 values are compared across the three collision systems at similar multiplicities; this comparison cancels the final-state effects and isolates the impact of initial geometry. While 𝑣 2 values show differences among these collision systems, 𝑣 3 values are largely similar, consistent with expectations of subnucleon fluctuations in the initial geometry. The ordering of 𝑣 𝑛 differs quantitatively from previous measurements using two-particle correlations with a larger rapidity gap, which, according to model calculations, can be partially attributed to the effects of longitudinal flow decorrelations. As a result, the prospects for future measurements to improve our understanding of flow decorrelation and subnucleonic fluctuations are also discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

All-sky search for continuous gravitational waves from isolated neutron stars using Advanced LIGO and Advanced Virgo O3 data

We present results of an all-sky search for continuous gravitational waves which can be produced by spinning neutron stars with an asymmetry around their rotation axis, using data from the third observing run of the Advanced LIGO and Advanced Virgo detectors. Four different analysis methods are used to search in a gravitational-wave frequency band from 10 to 2048 Hz and a first frequency derivative from -10 -8 to 10 -9 Hz/s. No statistically significant periodic gravitational-wave signal is observed by any of the four searches. As a result, upper limits on the gravitational-wave strain amplitude ℎ 0 are calculated. The best upper limits are obtained in the frequency range of 100 to 200 Hz and they are ~1.1 ×10 -25 at 95% confidence level. The minimum upper limit of 1.10 ×10 -25 is achieved at a frequency 111.5 Hz. In conclusion, we also place constraints on the rates and abundances of nearby planetary- and asteroid-mass primordial black holes that could give rise to continuous gravitational-wave signals.

79 ASTRONOMY AND ASTROPHYSICS↗