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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Inclusive breakup cross sections in reactions induced by the nuclides 6 He and 6,7 Li in the two-body cluster model

Calculations of inclusive α particle production are performed to interpret reaction experimental data induced by the two-neutron halo 6He and the isotopes 6,7 Li on different target nuclei. In this work, we have implemented the zero-range post-form DWBA to compute the elastic and nonelastic breakup cross sections. Integrated cross sections, angular distributions and spectra are presented. Projectiles are approximated as two-body clusters, namely 6 He as α+dineutron and 6 Li ( 7 Li) are interpreted as α+deuteron(triton). The São Paulo optical potential is employed in the calculation of the distorted wave functions for the incident channels, while standard phenomenological interactions are taken for the fragment-target interactions. Calculations for 6 Li and 7 Li furnish a good description of the data, while the reaction involving 6 He is found to be more complicated, where interpretation of the data must still be considered incomplete. The present analysis identifies an overall large contribution from inclusive breakup emission for all the cases studied.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Imaging electron angular distributions to assess a full-power petawatt-class laser focus

Here we present a technique to assess the focal volume of petawatt-class lasers at full power. Our approach exploits quantitative measurement of the angular distribution of electrons born in the focus via ionization of rarefied gas, which are accelerated forward and ejected ponderomotively by the field. We show that a bivariate (θ,Φ) angular distribution, which was obtained with image plates, not only enables the peak intensity to be extracted, but also reflects nonideality of the focal-spot intensity distribution. In our prototype demonstration at intensities of a few ×10 19 to a few ×10 20 W/cm 2 , an f/10 optic produced a focal spot in the paraxial regime. This allows a plane-wave parametrization of the peak intensity given by tanθ c =2/a 0 (a 0 being the normalized vector potential and θ c the minimum ejection angle) to be compared with our measurements. Qualitative agreement was found using an a 0 inferred from the pulse energy, pulse duration, and focal spot distribution with a modified parametrization, tanθ c =2η/a 0 ($η=2.02^{+0.26}_{–0.22}$). This highlights the need for (i) better understanding of intensity degradation due to focal-spot distortions and (ii) more robust modeling of the ejection dynamics. Using single-shot detection of electrons, we showed that while there is significant shot-to-shot variation in the number of electrons ejected at a given angular position, the average distribution scales with the pulse energy in a way that is consistent with that seen with the image plates. Finally, we note that the asymptotic behavior as θ→0° limits the usability of angular measurement. For 800 nm, this limit is at an intensity ~10 21 W/cm 2 .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Multi-arrival infrasound from meteoroids: Fragmentation signatures versus propagation effects in a fine-scale layered atmosphere

Infrasonic signatures of meteoroid fragmentation are frequently ambiguous: do multiple arrivals signify a complex breakup or merely the distorting effects of a layered atmosphere? Resolving this ambiguity is critical for accurate energy estimates and source reconstruction. In this study, we address this challenge by analyzing a unique regional dataset of well-constrained meteoroid events observed by the Southern Ontario Meteor Network and the co-located Elginfield Infrasound Array. We employ pseudo-differential parabolic equation (PPE) simulations to quantify how fine-scale gravity-wave structures in the stratosphere and lower thermosphere modify acoustic waveforms at ranges <300 km. Our modeling reveals that while fine-scale layering can stretch signals and generate diffuse oscillatory tails, it does not produce discrete, high-amplitude pulse splitting at ranges below ∼140 km. By applying these results to the rare multi-arrival event 20060305, we demonstrate that its distinct double arrival at 100 km range is inconsistent with atmospheric multipathing and provides definitive evidence of separate fragmentation episodes. These findings establish new diagnostic criteria for separating source physics from propagation artifacts, improving the reliability of infrasound as a monitoring tool for natural bolides, space debris re-entries, and catastrophic launch failures.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Measurement of the dynamic charge susceptibility near the charge density wave transition in ErTe 3

A charge density wave (CDW) is a phase of matter characterized by a periodic modulation of valence electron density coupled with lattice distortion. Its formation is closely tied to the dynamical charge susceptibility, χ(q, ω) , which reflects the collective electron dynamics of the material. Despite decades of study, χ(q, ω) near a CDW transition has never been measured at nonzero momentum, q, with meV energy resolution. Here, we investigate the canonical CDW transition in ErTe 3 using momentum-resolved electron energy loss spectroscopy, a technique uniquely sensitive to valence band charge excitations. Unlike phonons, which soften via the Kohn anomaly, we find the electronic excitations exhibit purely relaxational dynamics well described by a diffusive model, with the diffusivity peaking just below the critical temperature, T C1 . Additionally, we report for the first time a divergence in the real part of χ(q, ω) in the static limit (ω → 0), a long-predicted hallmark of CDWs. Unexpectedly, this divergence occurs as T → 0, with only a weak thermodynamic signature at T = T C1 . Our study necessitates a reexamination of the traditional description of CDW formation in quantum materials.

M-EELS↗
DOE OSTI2021

Quantitative comparison of opacities calculated using the R -matrix and distorted-wave methods: Fe xvii

ABSTRACT We present here a detailed calculation of opacities for Fe xvii at the physical conditions corresponding to the base of the Solar convection zone. Many ingredients are involved in the calculation of opacities. We review the impact of each ingredient on the final monochromatic and mean opacities (Rosseland and Planck). The necessary atomic data were calculated with the R-matrix and the distorted-wave (DW) methods. We study the effect of broadening, of resolution, of the extent of configuration sets and of configuration interaction to understand the differences between several theoretical predictions as well as the existing large disagreement with measurements. New Dirac R-matrix calculations including all configurations up to the n = 4, 5, and 6 complexes have been performed as well as corresponding Breit–Pauli DW calculations. The DW calculations have been extended to include autoionizing initial levels. A quantitative contrast is made between comparable DW and R-matrix models. We have reached self-convergence with n = 6 R-matrix and DW calculations. Populations in autoionizing initial levels contribute significantly to the opacities and should not be neglected. The R-matrix and DW results are consistent under the similar treatment of resonance broadening. The comparison with the experiment shows a persistent difference in the continuum while the filling of the windows shows some improvement. This study defines our path to the next generation of opacities and opacity tables for stellar modelling.

Delahaye, F.↗
DOE OSTI2021

Ultrafast formation of domain walls of a charge density wave in SmTe 3

We study ultrafast x-ray diffraction on the charge density wave (CDW) of SmTe 3 using an x-ray free-electron laser. The high momentum and time resolution afforded by the x-ray laser enabled capturing fine wave-vector and time-dependent features of the CDW that originate from fast (in time) and sharp (in real space) variations of the CDW lattice distortion, which we attribute to an inversion of the order parameter. These domain inversions occur near the surface and are caused by the short penetration depth of the near-infrared pump with the wavelength centered at 800 nm, resulting in CDW domain walls perpendicular to the sample surface. These domain walls break the CDW long-range order on the scale of the x-ray probe depth, controlled experimentally by the x-ray incidence angle and suppress the diffraction intensity of the CDW for times much longer than the ~1–ps recovery of the electronic gap observed in time and angle-resolved photoemission spectroscopy. We model the spatial and temporal dependences of the order parameter using a simple Ginzburg-Landau model with all the parameters obtained from the published literature. We find reasonable agreement between the calculated and the measured diffraction across the momentum, time, fluence, and incidence angle dependence without adjusting any parameters. In conclusion, we reconstruct the spatial and temporal dependences of the lattice order parameter and find that at long times, depending on the pump fluence, multiple domain walls remain at distances of a few nanometers from the surface.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Symmetry Breaking and Ascending in the Magnetic Kagome Metal FeGe

Spontaneous symmetry breaking—the phenomenon in which an infinitesimal perturbation can cause the system to break the underlying symmetry—is a cornerstone concept in the understanding of interacting solid-state systems. In a typical series of temperature-driven phase transitions, higher-temperature phases are more symmetric due to the stabilizing effect of entropy that becomes dominant as the temperature is increased. However, the opposite is rare but possible when there are multiple degrees of freedom in the system. Here, we present such an example of a symmetry-ascending phenomenon upon cooling in a magnetic kagome metal FeGe by utilizing neutron Larmor diffraction and Raman spectroscopy. FeGe has a kagome lattice structure with simple A-type antiferromagnetic order below Néel temperature T N ≈ 400 K and a charge density wave (CDW) transition at T CDW ≈ 110 K , followed by a spin-canting transition at around 60 K. In the paramagnetic state at 460 K, we confirm that the crystal structure is indeed a hexagonal kagome lattice. On cooling to around T N , the crystal structure changes from hexagonal to monoclinic with in-plane lattice distortions on the order of 10 − 4 and the associated splitting of the double-degenerate phonon mode of the pristine kagome lattice. Upon further cooling to T CDW , the kagome lattice shows a small negative thermal expansion, and the crystal structure gradually becomes more symmetric upon further cooling. A tendency of increasing the crystalline symmetry upon cooling is unusual; it originates from an extremely weak structural instability that coexists and competes with the CDW and magnetic orders. These observations are against the expectations for a simple model with a single order parameter and hence can only be explained by a Landau free energy expansion that takes into account multiple lattice, charge, and spin degrees of freedom. Thus, the determination of the crystalline lattice symmetry as well as the unusual spin-lattice coupling is a first step towards understanding the rich electronic and magnetic properties of the system, and it sheds new light on intertwined orders where the lattice degree of freedom is no longer dominant. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Valence 1⁢𝑠−0⁢𝑑 proton vacancy of the 32 Si ground state

The 32 Si( 3 He,d) 33 P reaction was studied in inverse kinematics at 6.3 MeV/u. States in 33 P corresponding to the proton 1s-0d single-particle orbitals were identified up to ≈ 4.5 MeV in excitation energy. The ( 3 He,d) spectroscopic factors were determined from distorted-wave Born approximation calculations. When combined with complementary neutron-adding data, the 1s-0d proton vacancies in the 32 Si ground state were extracted. In conjunction with a reanalysis of data from previous single-particle measurements, the trends in proton and neutron vacancy were explored across the 28,30,32,34 Si isotopes. Both proton and neutron vacancy data show gradual changes in their occupancies. The proton 1s 1/2 orbitals in 32 Si and 34 Si are both consistent with being empty. In conclusion, the ground-state nucleon distributions are described by shell-model calculations constrained to the 1s-0d model space.

Watwood, N. [Argonne National Laboratory (ANL), Ar↗
DOE OSTI2020

Robust superconductivity intertwined with charge density wave and disorder in Pd-intercalated ErTe 3

Pd-intercalated ErTe 3 is studied as a model system to explore the effect of "intertwined" superconducting and charge density wave (CDW) orders. Despite the common wisdom that superconductivity emerges only when CDW is suppressed, we present data from STM and AC susceptibility measurements that show no direct competition between CDW order and superconductivity. Both coexist over most of the intercalation range, with uniform superconductivity over length scales that exceed the superconducting coherence length. This is despite persisting short-range CDW order and increased scattering from the Pd intercalation. While superconductivity is insensitive to local defects in either of the bi-directional CDWs, vestiges of the Fermi-level distortions are observed in the properties of the superconducting state.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Cooperative Charge Ordering Signature of Trimer Molecules in Infinite-Layer CaCoO 2

The infinite-layer compound CaCoO 2 provides a compelling platform to explore how local orbital distortions evolve into collective electronic order. Using resonant soft x-ray scattering (RSXS) and its time-resolved counterpart (tr-RSXS), we reveal a cooperative coupling between two intertwined orders at the same in-plane wave vector, 𝑞 ≈ (1/4, 1/4, 0), comprising a quasi-two-dimensional orbital order associated with the distorted Co (1) sites and a quasi-three-dimensional trimerlike charge order stabilized through Co-O-Ca hybridization. The charge-sensitive component exhibits a uniform relaxation time of ∼400 fs (391 ± 5 fs) across multiple Co resonances, evidencing a collective charge response. A comparable timescale observed in the orbital order associated with the highly distorted Co (1) sites indicates that this collective behavior naturally originates from the same orbital framework that mediates both charge and orbital degrees of freedom. Together, these findings establish CaCoO 2 as a model system in which Jahn-Teller distortions, orbital hybridization, and geometric frustration cooperate to form molecular trimer units that dictate the macroscopic electronic behavior.

Lee, J.-S. [SLAC National Accelerator Laboratory (↗
DOE OSTI2023

Monsoon Depression Amplification by Horizontal Shear and Humidity Gradients: A Shallow Water Perspective

Transient, synoptic-scale vortices produce a large fraction of total rainfall in most monsoon regions and are often associated with extreme precipitation. However, the mechanism of their amplification remains a topic of active research. For monsoon depressions, which are the most prominent synoptic-scale vortex in the Asian–Australian monsoon, recent work has suggested that meridional gradients in zonal wind in the vortex environment may produce growth through barotropic instability, while meridional gradients in environmental humidity have also been proposed to cause amplification through coupling with precipitating convection. Here, a two-dimensional shallow water model on a sphere with parameterized precipitation is used to examine the relative role played by these two environmental gradients. By systematically varying the meridional moisture gradient and meridional wind shear for both weak, quasi-linear waves and finite-amplitude isolated vortices, we show that rotational winds in the initial vortex are amplified most strongly by meridional shear of the environmental zonal wind, while vortex precipitation rates are most sensitive to environmental moisture gradients. The growth rate in the presence of both gradients is less than the sum of growth rates in the presence of isolated gradients, as the phase relation between moisture and vorticity anomalies becomes distorted with increasing shear. In conclusion, these results suggest that background meridional gradients in both zonal wind and environmental humidity can contribute to the amplification of vortices to monsoon depression strength, but with some degree of decoupling of the dry rotational flow and the moist convection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Competing electronic states emerging on polar surfaces

Excess charge on polar surfaces of ionic compounds is commonly described by the two-dimensional electron gas (2DEG) model, a homogeneous distribution of charge, spatially-confined in a few atomic layers. Here, by combining scanning probe microscopy with density functional theory calculations, we show that excess charge on the polar TaO 2 termination of KTaO 3 (001) forms more complex electronic states with different degrees of spatial and electronic localization: charge density waves (CDW) coexist with strongly-localized electron polarons and bipolarons. These surface electronic reconstructions, originating from the combined action of electron-lattice interaction and electronic correlation, are energetically more favorable than the 2DEG solution. They exhibit distinct spectroscopy signals and impact on the surface properties, as manifested by a local suppression of ferroelectric distortions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Magnetic ground state of La 2 LiMoO 6 : A comparison with other Mo 5+ ( S=1/2 ) double perovskites

La 2 LiMoO 6 is a double perovskite (DP) with P2 1 /n symmetry based on the Mo5+ ion, 4d1, t2g1, S=1/2. It is isostructural with Sr 2 YMoO 6 , the magnetic ground state of which is apparently a very unusual collective spin singlet or valence-bond glass state as is the case for cubic (Fm-3m) Ba 2 YMoO 6 . Initial studies of La 2 LiMoO 6 suggested a different ground state from the other DPs but no clear conclusions could be drawn. A more detailed study is presented here including magnetic susceptibility, heat capacity, and elastic neutron-scattering results. This DP is now well characterized as an antiferromagnet, T N =18K, via observation of magnetic Bragg peaks in neutron scattering and an anomaly in the magnetic heat capacity. The ordering wave vector is k=( 1/21/2 0), consistent with a type I face-centered-cubic magnetic structure, and the ordered moment on Mo 5+ is 0.32(11)μ B , much reduced from the spin-only value of 1μ B . The index, f=|v c |/T N ~3, indicates a low level of frustration. The heat-capacity data above T N can be interpreted in terms of a one-dimensional spin-correlation model, as can the low-temperature data which follow a T 1 power law. This is consistent with an earlier suggestion. The difference with isostructural Sr 2 YMoO 6 is attributed to differences in the local distortion of the Mo–O octahedron and the resulting orbital ordering.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Resolution of zigzag magnetic correlations in Na-deficient Na x IrO 3 without long-range ordering

The materials search for Kitaev quantum spin liquids led to the discovery of many honeycomb lattice materials. Much attention has been paid to materials without magnetic order down to the lowest temperatures. The newly synthesized Na-deficient Na x IrO 3 has been found to bear no sign of long-range magnetic order above 1 K from physical property measurements. In this paper, we report momentum-and energy-resolved excitation spectra in Na-deficient Na x IrO 3 measured using a resonant inelastic x-ray scattering spectrometer. Orbital excitation spectra show that the octahedral and trigonal crystal field splittings are larger in Na x IrO 3 than in Na 2 IrO 3 . On the other hand, the low-energy spectrum at low temperature shows a wave-vector dispersion and a spectral weight distribution that are similar to those of Na 2 IrO 3 , revealing that the two-dimensional zigzag magnetic correlations in Na x IrO 3 are similar to those in Na 2 IrO 3 in terms of the ordered magnetic moment direction and three dynamically fluctuating zigzag orders. The azimuth angle dependence of the low-energy spectrum corroborates these results. The two-dimensional zigzag magnetic correlations rapidly weaken until 50 K. At high temperatures, the spectral weight distribution of the low-energy excitation resembles that of the pure Kitaev model, indicating that the Kitaev interaction dominates the dynamic magnetic response at high temperature. Here we suggest that the larger crystal field and distortion and the weakened longer-range Heisenberg exchange interactions due to the Na deficiency in Na x IrO 3 contribute to bring Na x IrO 3 away from the zigzag long-range magnetic order phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Tidal energy extraction modifies tidal asymmetry and transport in a shallow, well-mixed estuary

Tidal energy extraction is increasingly being studied as a potential renewable energy resource in estuaries worldwide. Although it is understood that energy extraction via tidal stream turbines can modify currents and transport within estuaries, it is not clear how the underlying nonlinear physical mechanisms dictating tidal hydrodynamics are modulated. This research investigates the influence of a hypothetical tidal stream turbine array on barotropic tidal processes in a shallow, well-mixed system: the Piscataqua River – Great Bay (PRGB) estuary, using a numerical model. The modeled turbine farm includes 180 turbines which would extract an estimated 44.7 GWh of energy, annually. The tidal hydrodynamic model for the existing condition is validated with in-situ observations of currents and water level before analyzing tidal asymmetry and transport with and without tidal turbines. Results indicate that the tidal turbine array will decrease tidal elevation and current magnitudes system-wide, but generally reduce ebb currents and transport more than flood over most of the estuary footprint, thereby diminishing tidal asymmetry. The smaller asymmetric distortion compared to the no-turbine case is attributed to reductions in the storage volume of water over the estuary’s extensive tidal flat regions between low and high waters which decreases the associated nonlinear intertidal storage mechanism up to 25%. This leads to weakened ebb dominance over estuary sections from the mouth to mid-reaches, where depths are deep enough to keep the combined nonlinear shallow water and frictional effects from asserting control over the storage mechanism. Even in upstream shallow regions where depth-dependent friction controls asymmetry in both cases, the frictional mechanism is reduced only by 10% with turbines. Some environmental considerations of this work are discussed, with focus on sediment transport, water quality, and ecology.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Supermassive primordial black holes from inflation

There is controversy surrounding the origin and evolution of our universe's largest supermassive black holes (SMBHs). In this study, we consider the possibility that some of these black holes formed from the direct collapse of primordial density perturbations. Since the mass of a primordial black hole is limited by the size of the cosmological horizon at the time of collapse, these SMBHs must form rather late, and are naively in conflict with constraints from CMB spectral distortions. These limits can be avoided, however, if the distribution of primordial curvature perturbations is highly non-Gaussian. After quantifying the departure from Gaussianity needed to evade these bounds, we explore a model of multi-field inflation — a non-minimal, self-interacting curvaton model — which has all the necessary ingredients to yield such dramatic non-Gaussianities. We leave the detailed model building and numerics to a future study, however, as our goal is to highlight the challenges associated with forming SMBHs from direct collapse and to identify features that a successful model would need to have. This study is particularly timely in light of recent observations of high-redshift massive galaxy candidates by the James Webb Space Telescope as well as evidence from the NANOGrav experiment for a stochastic gravitational wave background consistent with SMBH mergers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Three-dimensional lattice modulations in the charge density wave system Lu 2 Ir 3 Si 5

Using total and resonant x-ray scattering coupled to large-scale computer modeling, we study the lattice modulations in the complex charge density wave (CDW) material Lu 2 ⁢Ir 3 ⁢Si 5 . Here, we find that it is a unique quantum system where periodic lattice modulations related to emergent CDW order occur in three orthogonal atomic planes of the crystal lattice, leading to the emergence of an unusual three-dimensional (3D) pattern of short and long Ir-Ir and Lu-Lu bonds. The 3D character of observed lattice modulations explains the largely isotropic character of the changes in the electronic properties occurring when the CDW order sets in, demonstrating the strong electron-lattice coupling in Lu 2 ⁢Ir 3 ⁢Si 5 . The result is supported by DFT calculations based on the experimental structure data. Altogether, our work provides strong evidence for the presence of a relationship between the dimensionality of emergent lattice distortions and that of concurrent changes in the electronic properties of CDW materials. The relationship may need to be accounted for when these materials are explored for practical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Aero-Optics of Hypersonic Turbulent Boundary Layers

Aero-optics refers to optical distortions due to index-of-refraction gradients that are induced by aerodynamic density gradients. At hypersonic flow conditions, the bulk velocity is many times the speed of sound and density gradients may originate from shock waves, compressible turbulent structures, acoustic waves, thermal variations, etc. Due to the combination of these factors, aero-optic distortions are expected to differ from those common to sub-sonic and lower super-sonic speeds. This report summarizes the results from a 2019-2022 Laboratory Directed Research and Development (LDRD) project led by Sandia National Laboratories in collaboration with the University of Notre Dame, New Mexico State University, and the Georgia Institute of Technology. Efforts extended experimental and simulation methodologies for the study of turbulent hypersonic boundary layers. Notable experimental advancements include development of spectral de-aliasing techniques for highspeed wavefront measurements, a Spatially Selective Wavefront Sensor (SSWFS) technique, new experimental data at Mach 8 and 14, a Quadrature Fringe Imaging Interferometer (QFII) technique for time-resolved index-of-refraction measures, and application of QFII to shock-heated air. At the same time, model advancements include aero-optic analysis of several Direct Numerical Simulation (DNS) datasets from Mach 0.5 to 14 and development of wall-modeled Large Eddy Simulation (LES) techniques for aero-optic predictions. At Mach 8 measured and predicted root mean square Optical Path Differences agree within confidence bounds but are higher than semi-empirical trends extrapolated from lower Mach conditions. Overall, results show that aero-optic effects in the hypersonic flow regime are not simple extensions from prior knowledge at lower speeds and instead reflect the added complexity of compressible hypersonic flow physics.

36 MATERIALS SCIENCE↗