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DOE OSTI2024

SDSS-IV MaNGA: calibration of astrophysical line-widths in the Hα region using HexPak observations

ABSTRACT We have re-observed $\rm \sim$40 low-inclination, star-forming galaxies from the MaNGA survey (σ ∼ 65 km s−1) at ∼6.5 times higher spectral resolution (σ ∼ 10 km s−1) using the HexPak integral field unit on the WIYN 3.5-m telescope. The aim of these observations is to calibrate MaNGA’s instrumental resolution and to characterize turbulence in the warm interstellar medium and ionized galactic outflows. Here we report the results for the Hα region observations as they pertain to the calibration of MaNGA’s spectral resolution. Remarkably, we find that the previously reported MaNGA line-spread-function (LSF) Gaussian width is systematically underestimated by only 1 per cent. The LSF increase modestly reduces the characteristic dispersion of H ii regions-dominated spectra sampled at 1–2 kpc spatial scales from 23 to 20 km s−1 in our sample, or a 25 per cent decrease in the random-motion kinetic energy. This commensurately lowers the dispersion zeropoint in the relation between line-width and star-formation rate surface-density in galaxies sampled on the same spatial scale. This modest zero-point shift does not appear to alter the power-law slope in the relation between line-width and star-formation rate surface-density. We also show that adopting a scheme whereby corrected line-widths are computed as the square root of the median of the difference in the squared measured line width and the squared LSF Gaussian avoids biases and allows for lower signal-to-noise data to be used reliably.

Chattopadhyay, Sabyasachi↗

DOE OSTI2021

Extracting correlation effects from momentum-resolved electron energy loss spectroscopy: Synergistic origin of the dispersion kink in Bi 2.1 Sr 1.9 CaCu 2 O 8 + x

We employ momentum-resolved electron energy loss spectroscopy (M-EELS) on Bi 2.1 Sr 1.9 CaCu 2 O 8 + x to resolve the issue of the kink feature in the electron dispersion widely observed in the cuprates. To this end, we utilize the GW approximation to relate the density response function measured in M-EELS to the self-energy, isolating contributions from phonons, electrons, and the momentum dependence of the effective interaction to the decay rates. The phononic contributions, present in the M-EELS spectra due to electron-phonon coupling, lead to kink features in the corresponding single-particle spectra at energies between 40 and 80 meV, independent of the doping level. We find that a repulsive interaction constant in momentum space is able to yield the kink attributed to phonons in ARPES. Hence, our analysis of the M-EELS spectra points to local repulsive interactions as a factor that enhances the spectroscopic signatures of electron-phonon coupling in cuprates. We conclude that the strength of the kink feature in cuprates is determined by the combined action of electron-phonon coupling and electron-electron interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Elastic properties of the W 0.75 R e 0.25 alloy at high pressure up to 183 GPa

The high pressure equation of state for the W 0.75 R e 0.25 alloy is experimentally determined up to 183 GPa with synchrotron angle-dispersive powder x-ray diffraction in the diamond-anvil cell and to ∼925 GPa with density-functional theory. W-Re alloys are used in many industrial high-temperature applications and as a confining gasket material in high-pressure diamond-anvil cell research. The inclusion of 25 wt. % Re achieves the highest performance in terms of strength and ductility while also maintaining the body-centered-cubic (bcc) crystal structure, yet to date there has been no investigation into its elastic behavior at high pressure. We present the experimentally and theoretically determined volumetric and elastic pressure response and systematically compare these results to other W-Re alloys, finding that the bulk modulus of W-Re alloys varies nonlinearly with Re content and W 0.75 Re 0.25 becomes less incompressible than W at 85 GPa. Published by the American Physical Society 2025

Alloys↗

DOE OSTI2024

Variation-Resilient FeFET-Based In-Memory Computing Leveraging Probabilistic Deep Learning

Reliability issues stemming from device level nonidealities of nonvolatile emerging technologies like ferroelectric field-effect transistors (FeFETs), especially at scaled dimensions, cause substantial degradation in the accuracy of in-memory crossbar-based AI systems. Here, in this work, we present a variation-aware design technique to characterize the device level variations and to mitigate their impact on hardware accuracy employing a Bayesian neural network (BNN) approach. An effective conductance variation model is derived from the experimental measurements of cycle-to-cycle (C2C) and device-to-device (D2D) variations performed on FeFET devices fabricated using 28 nm high-k metal gate technology. The variations were found to be a function of different conductance states within the given programming range, which sharply contrasts earlier efforts where a fixed variation dispersion was considered for all conductance values. Such variation characteristics formulated for three different device sizes at different read voltages were provided as prior variation information to the BNN to yield a more exact and reliable inference. Near-ideal accuracy for shallow networks (MLP5 and LeNet models) on the MNIST dataset and limited accuracy decline by ~3.8%–16.1% for deeper AlexNet models on CIFAR10 dataset under a wide range of variations corresponding to different device sizes and read voltages, demonstrates the efficacy of our proposed device-algorithm co-design technique.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Evaluation of Thermal Neutron Scattering Cross Section of Uranium Silicide with Ab Initio Lattice Dynamics

Uranium silicide (U 3 Si 2 ) is a candidate material for the high-density nuclear fuel in commercial light water reactors [1], [2]. Its higher uranium density, 11.3 g-U/cm3, compared to that of uranium dioxide (UO 2 ), 9.7 g-U/cm3, can improve the performance of a nuclear reactor while using low enriched uranium (LEU) and diversify the choice of cladding materials [1]–[3]. It also has a higher thermal conductivity than UO 2 , which can reduce the thermal stress on the material caused by a temperature gradient across the fuel pellet and provide a larger margin for some postulated accidents [1], [2], [4]. Furthermore, compared to U3Si, another high-density fuel candidate, it has better resistance to in-pile swelling due to less irradiation-induced rapid amorphization [1], [3]. Corresponding to its importance in nuclear engineering, many previous studies have reported the properties of U3Si2. Experiments showed that U 3 Si 2 is a paramagnetic (PM) metal, where a slight linear increase in magnetic susceptibility was measured with increasing temperature [5], [6]. In addition, thermodynamic quantities such as thermal expansion coefficient, heat capacity, and thermal conductivity were experimentally determined over a wide temperature range [1], [7], [8]. In several computational studies, ab initio atomistic simulations based on density functional theory (DFT) were performed to calculate various properties including elastic constants, electronic density of states (DOS), and phonon dispersion curves [9]–[12]. Nevertheless, thermal neutron scattering cross sections, which are critical to the prediction of the parameters in reactor physics that are ultimately related to reactor criticality, have not yet been evaluated for U3Si2. The scattering cross section can be calculated from the phonon DOS, or the energy spectrum of lattice vibrations, of the crystalline system [13], [14]. However, there is also no experimental data available for the phonon DOS of U 3 Si 2 . While some computational studies reported the phonon DOS and/or dispersion curves from ab initio simulations [9]–[12], the accuracy cannot be guaranteed because it is unclear whether the spin-polarization behavior of PM U 3 Si 2 was properly described. In the present study, the thermal neutron scattering cross section for U 3 Si 2 is evaluated for the first time by calculating the phonon DOS for U3Si2 from ab initio lattice dynamics (AILD) simulations based on DFT. First, U 3 Si 2 is modeled based on the experimental structure, and AILD simulations are performed on the modeled U3Si2 to optimize the structure. Next, AILD simulations are performed for supercells with atomic displacement to calculate Hellmann-Feynman forces. Based on the calculated forces, partial phonon DOSs for U and Si are obtained, and the thermal neutron scattering law (TSL) for U 3 Si 2 is finally evaluated. To verify the accuracy of the calculations in the present study, the calculation results are compared with experimental data on the structure and heat capacity of U3Si2 [1], [7], [8], [15].

Geometry Optimization↗

DOE OSTI2024

High Flux Isotope Reactor Uncertainty Factors

This report provides a brief summary of the uncertainty factors used for High Flux Isotope Reactor (HFIR) steady-state heat transfer analyses. These factors are mainly used in the HFIR Steady-State Heat Transfer Code (HSSHTC) to perform core thermal margin evaluations that determine safe reactor operation. The attempt to classify these factors stems from the assumption that the current approach is characterized by an excess of conservatism, thereby restricting reactor performance. The work documented herein was of a limited scope and pertained mainly to factors’ description and initial grouping based on their functional use. Suggestions are provided for further evaluation for the low-enriched uranium (LEU) to the uranium silicide dispersion fuel (U 3 Si 2 -Al).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2021

Design and Gas Separation Performance of Imidazolium Poly(ILs) Containing Multivalent Imidazolium Fillers and Crosslinking Agents

This work introduces a series of vinyl-imidazolium-based polyelectrolyte composites, which were structurally modified via impregnation with multivalent imidazolium-benzene ionic liquids (ILs) or crosslinked with novel cationic crosslinkers which possess internal imidazolium cations and vinylimidazolium cations at the periphery. A set of eight [C4vim][Tf2N]-based membranes were prepared via UV-initiated free radical polymerization, including four composites containing di-, tri-, tetra-, and hexa-imidazolium benzene ILs and four crosslinked derivatives which utilized tri- and tetra- vinylimidazolium benzene crosslinking agents. Structural and functional characterizations were performed, and pure gas permeation data were collected to better understand the effects of “free” ILs dispersed in the polymeric matrix versus integrated ionic crosslinks on the transport behaviors of these thin films. These imidazolium PIL:IL composites exhibited moderately high CO2 permeabilities (~20–40 Barrer), a 4–7× increase relative to corresponding neat PIL, with excellent selectivities against N2 or CH4. The addition of imidazolium-benzene fillers with increased imidazolium content were shown to correspondingly enhance CO2 solubility (di- < tri- < tetra- < hexa-), with the [C4vim][Tf2N]: [Hexa(Im+)Benz ][Tf2N] composite showing the highest CO2 permeability (PCO2 = 38.4 Barrer), while maintaining modest selectivities (αCO2/CH4 = 20.2, αCO2/N2 = 23.6). Additionally, these metrics were similarly improved with the integration of more ionic content bonded to the polymeric matrix; increased PCO2 with increased wt% of the tri- and tetra-vinylimidazolium benzene crosslinking agent was observed. This study demonstrates the intriguing interactions and effects of ionic additives or crosslinkers within a PIL matrix, revealing the potential for the tuning of the properties and transport behaviors of ionic polymers using ionic liquid-inspired small molecules.

36 MATERIALS SCIENCE↗

NASA NTRS1972

Stability of a steady, large amplitude whistler wave.

Study of the behavior of weak electrostatic waves in a collisionless magnetoplasma supporting a steady large amplitude whistler wave. All waves are assumed to propagate parallel to a uniform background magnetic field B sub zero. In the presence of the whistler wave fields each particle executes an oscillatory motion parallel to B sub zero, in addition to a translation along B sub zero and transverse motions. This oscillation causes the Landau resonance to be replaced by a series of new resonances between particles and the electrostatic modes. A distribution function for the perturbed plasma is constructed by solving the Vlasov equation, linearized in the electrostatic wave amplitudes. A dispersion relation is obtained and solved approximately for the growth/damping rate of the perturbations. Growing electrostatic modes are found to be approximately uncoupled. Trapped particles have a strong influence on the stability of the system.

Palmadesso, P. J.↗

NASA NTRS1974

Electromagnetic processes in the atmosphere of pulsars

The work consists of two parts. The first deals with the fine structure of radio pulses. Based on kinetic theory, processes occurring in the plasma shell of a pulsar when external electromagnetic radiation is present are investigated. It is shown that electromagnetic waves cause electrons to drift relative to ions, and initiate longitudinal oscillations. A dispersion equation describing the longitudinal oscillations in magnetized plasma is derived. Conditions for excitation of oscillations are found. Correlation functions of electron density are calculated, along with the coefficients of electromagnetic wave scattering. It is shown that variations in the amplitude of pulsar pulses are associated with scintillations caused by fluctuations in the plasma electron density. The second part of the study presents a mechanism for the radio emission of pulsars. The model of a rotating and a pulsating star, a neutron star with dipolar or more complex magnetic field, is examined.

Yukhimuk, A. K.↗

NASA NTRS1978

OSO-8 X-ray spectra of clusters of galaxies. 1. Observations of twenty clusters: Physical correlations

OSO-8 X-ray spectra from 2 to 20 keV were analyzed for 26 clusters of galaxies. Temperature, emission integrals, iron abundances, and low energy absorption measurements are given. Eight clusters have positive iron emission line detections at the 90% confidence level, and all twenty cluster spectra are consistent with Fe/H=0.000014 by number with the possible exception of Virgo. Physical correlations between X-ray spectral parameters and other cluster properties are examined. It is found that: (1) the X-ray temperature is approximately proportional to the square of the velocity dispersion of the galaxies; (2) the emission integral and therefore the bolometric X-ray luminosity is a strong function of the X-ray temperature; (3) the X-ray temperature and emission integral are better correlated with cluster central galaxy density than with richness; (4) temperature and emission integral are separately correlated with Rood-Sastry type; and (5) the fraction of galaxies which are spirals is correlated with the observed ram pressure in the cluster core.

Mushotzky, R. F.↗

NASA NTRS1986

In-flight analysis of IUE cross-disperser scattered light

The scattered light properties of the IUE (International Ultraviolet Explorer) cross-disperser gratings are investigated using in-flight data of the emission spectrum of Comet Bradfield (1979X). The scattering function in the vicinity of H I Lyman alpha at 1216 angstroms is found to be significantly lower than that derived from either the laboratory measurements of Mount and Fastie (1978) or the analysis by Basri et al. (1985) of cool star observations.

Feldman, P. D.↗

NASA NTRS1994

Two-fluid simulations of galaxy formation

We investigate the formation of galaxies and larger structure with a simulation modeling two gravitationally coupled fluids representing dark matter and baryons. The baryon gas dynamics are calculated with a smoothed particle hydrodynamics (SPH) method, and the physics modeled includes thermal pressure, shock heating, and radiative cooling. We simulate a 16 Mpc periodic cube with 64(exp 3) particles in each fluid and 10% baryon mass fraction. We confirm, for the first time experimentally, disk formation as a natural consequence of hierarchical clustering in a large-scale cosmological environment. The majority of isolated galaxies exhibit centrifugally supported disks. A power-law relation between cold baryonic mass and maximum rotation velocity is found, M varies as nu(sub rot)(exp alpha) with alpha = 2.5 after correcting for differential numerical resolution. Both the spatial and velocity distributions of the simulated galaxies are biased with respect to the dark matter. A counts-in-cells analysis indicates that an unphysical degree of merging in the central cluster is likely responsible for the antibias signal in the correlation function. A robust, scale-dependent velocity bias is measured. The ratio of galaxy to dark matter pairwise velocity dispersions on a scale of 1 Mpc is 0.7. The amplitude is only mildly dependent on redshift or mass cutoff and scales with separation as r(exp 0.2). The degree to which these results depend on numerical parameters is discussed. Mass resolution plays a key role in controlling the resulting fraction of cold, dense baryons. The mass fraction associated with galaxies decreases by a factor of approximately greater than 3 when the mass per particle is increased by a factor 8. Photoionization and energy input from supernova will have to be included to determine more carefully the fraction of highly dissipated material and the characteristics of the stellar component of galaxies.

Evrard, August E.↗

NASA NTRS2002

Bn and Si-Doped Bn Coatings on Woven Fabrics

A computer controlled, pulsed chemical vapor infiltration (CVI) system has been developed to deposit BN from a liquid borazine (B3N3H6) source, as well as silicon doped BN coatings using borazine and a silicon source, into 2-D woven ceramic fabric preforms. The coating process was evaluated as a function of deposition temperature, pressure, and precursor flow rate. Coatings were characterized by field emission scanning electron microscopy, electron dispersive spectroscopy and Auger spectroscopy. By controlling the reactant feed ratios, Si incorporation could be controlled over the range of 6-24 atomic percent.

Hurwitz, Frances I.↗

NASA NTRS2010

Improvement in the Shape Memory Response of Ti50.5Ni24.5Pd25 High-Temperature Shape Memory Alloy with Scandium Microalloying

A Ti(50.5)Ni(24.5)Pd25 high-temperature shape memory alloy (HTSMA) is microalloyed with 0.5 at. pct scandium (Sc) to enhance its shape-memory characteristics, in particular, dimensional stability under repeated thermomechanical cycles. For both Ti(50.5)Ni(24.5)Pd25 and the Sc-alloyed material, differential scanning calorimetry is conducted for multiple cycles to characterize cyclic stability of the transformation temperatures. The microstructure is evaluated using electron microscopy, X-ray diffractometry, and wavelength dispersive spectroscopy. Isobaric thermal cycling experiments are used to determine transformation temperatures, dimensional stability, and work output as a function of stress. The Sc-doped alloy displays more stable shape memory response with smaller irrecoverable strain and narrower thermal hysteresis than the baseline ternary alloy. This improvement in performance is attributed to the solid solution hardening effect of Sc.

Atli, K. C.↗

NASA NTRS2011

Extended depth of field imaging for high speed object analysis

A high speed, high-resolution flow imaging system is modified to achieve extended depth of field imaging. An optical distortion element is introduced into the flow imaging system. Light from an object, such as a cell, is distorted by the distortion element, such that a point spread function (PSF) of the imaging system is invariant across an extended depth of field. The distorted light is spectrally dispersed, and the dispersed light is used to simultaneously generate a plurality of images. The images are detected, and image processing is used to enhance the detected images by compensating for the distortion, to achieve extended depth of field images of the object. The post image processing preferably involves de-convolution, and requires knowledge of the PSF of the imaging system, as modified by the optical distortion element.

Ortyn, William↗

NASA NTRS2011

Extended depth of field imaging for high speed object analysis

Ortyn, William↗

NASA NTRS2015

Fracture Toughness, Mechanical Property, And Chemical Characterization Of A Critical Modification To The NASA SLS Solid Booster Internal Material System

A modified propellant-liner-insulation (PLI) bondline in the Space Launch System (SLS) solid rocket booster required characterization for flight certification. The chemical changes to the PLI bondline and the required additional processing have been correlated to mechanical responses of the materials across the bondline. Mechanical properties testing and analyses included fracture toughness, tensile, and shear tests. Chemical properties testing and analyses included Fourier transform infrared (FTIR) spectroscopy, cross-link density, high-performance liquid chromatography (HPLC), gas chromatography (GC), gel permeation chromatography (GPC), and wave dispersion X-ray fluorescence (WDXRF). The testing identified the presence of the expected new materials and found the functional bondline performance of the new PLI system was not significantly changed from the old system.

Pancoast, Justin↗

DOE OSTI2023

Tuning the band topology of GdSb by epitaxial strain

Rare-earth monopnictide (RE-V) semimetal crystals subjected to hydrostatic pressure have shown interesting trends in magnetoresistance, magnetic ordering, and superconductivity, with theory predicting pressure-induced band inversion. Yet, thus far, there have been no direct experimental reports of interchanged band order in RE-Vs due to strain. This work studies the evolution of band topology in biaxially strained GdSb(001) epitaxial films using angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT). As biaxial strain is tuned from tensile to compressive strain, the gap between the hole and the electron bands dispersed along [001] decreases. The conduction and valence band shifts seen in DFT and ARPES measurements are explained by a tight-binding model that accounts for the orbital symmetry of each band. Finally, we discuss the effect of biaxial strain on carrier compensation and magnetic ordering temperature.

36 MATERIALS SCIENCE↗