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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Crystal Morphology and Phase Transformation of LiAlO 2 : Combined Experimental and First-Principles Studies

Layered α-LiAlO 2 matrix often suffers from detrimental structural and morphological changes during its lifetime, especially under H 2 containing fuel inlet environments of molten carbonate fuel cell systems. However, the underlying mechanism of this phase and morphological transformations has rarely been explored. In this study, transmission electron microscopy (TEM) techniques were used to determine the changes in structure and morphology of LiAlO 2 samples lifted by a focused ion beam (FIB). In accordance with X-ray diffraction (XRD) analysis, TEM images show that under H-rich conditions the rhombohedral α-LiAlO 2 transforms to tetragonal γ-LiAlO 2 phase with the appearance of the (101) terminated octahedral shaped γ-LiAlO 2 crystallites. We further support, and plausibly rationalize, the observed transformations using density functional theory (DFT) calculation. The DFT computed surface energies of γ-LiAlO 2 reveal that the {101} surface becomes the lowest energy surface upon H-adsorption, thus leading to formation of observed octahedral geometry. Contrary to stabilization of γ-LiAlO 2 surfaces upon H passivation, DFT revealed H-adsorption on α-LiAlO 2 surfaces to be energetically unfavorable. Furthermore, this contrasting behavior of α-LiAlO 2 and γ-LiAlO 2 under H-rich environments could be a potential driving force for the observed α-LiAlO 2 to γ-LiAlO 2 phase transformation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ultrathin Plasmonic Tungsten Oxide Quantum Wells with Controllable Free Carrier Densities

Localized surface plasmon resonances (LSPR) of nanostructures can be tuned by controlling their morphology, local dielectric environment, and free carrier concentration. We report the colloidal synthesis of an ~3 tungsten–oxygen (W-O) layer thick (~1 nm), two-dimensional (2D) WO 3-x nanoplatelets (NPLs) (x ≈ 0.55–1.03), which display tunable near-infrared LSPR properties and additionally high free electron density (N e ) that arises predominantly from the large shape factor of 2D NPLs. Importantly, the W to O composition ratios inferred from their LSPR measurements show much higher percentage of oxygen vacancies than those determined by X-ray diffraction analysis, suggesting that the aspect ratio of ultrathin WO 3-x NPLs is the key to producing an unprecedentedly large Ne, although synthesis temperature is also an independent factor. We find that NPL formation is kinetically controlled, whereas thermodynamic parameter manipulation leads to N e values as high as 4.13 × 10 22 cm –3 , which is close to that of plasmonic noble metals, and thus our oxide-based nanostructures can be considered as quasi-metallic. The unique structural properties of 2D nanomaterials along with the high N e of WO 3-x NPLs provide an attractive alternative to plasmonic noble metal nanostructures for various plasmon-driven energy conversions and design of photochromic nanodevices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Electroproduction of $Λ$(1405)

The electroproduction of K{sup +} {Lambda}(1405) was studied by analyzing the E1F data set collected in Hall B at Jefferson Lab. The analysis utilized the decay channel {Sigma}{sup +} {pi}{sup -} of the {Lambda}(1405) and p{pi}{sup 0} of the {Sigma}{sup +}. Simulations of background, {Lambda}(1405) and {Lambda}(1520) production according to PDG values were performed by using standard CLAS analysis tools adapted for the E1F run. Fits of the acceptance-corrected simulations were made to the acceptance-corrected data to determine contributions from signal and background processes. The line shape of {Lambda}(1405) varies with the four momentum transfer, Q{sup 2}, and does not match the line shape based on PDG resonance parameters. It corresponds approximately to predictions of a recent two-pole meson-baryon picture of this state.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Investigation of the thermal stability of Cu nanowires using atomistic simulations

We present a method for determining the melting point of copper nanowires based on classical molecular dynamics simulations and use it to investigate the dependence of the melting point on wire diameter. The melting point is determined as the temperature at which there is a significant change in the fraction of liquid atoms in the wire, according to atomic bond angle analysis. The results for the wires with diameters in the range 1.5 nm to 20 nm show that the melting point is inversely proportional to the diameter while the cross-sectional shape of the wire does not have a significant impact. Comparison of results obtained using different potentials show that while the absolute values of the melting points may differ substantially, the melting point depression is similar for all potentials. The obtained results are consistent with predictions based on the semi-empirical liquid drop model.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Resonant transmission and mode modulation of acoustic waves in H-shaped metallic gratings

In this work, we demonstrate that resonant full transmission of acoustic waves exists in subwavelength H-shaped metallic gratings, and transmission peaks can be efficiently tuned by adjusting the grating geometry. We investigate this phenomenon through both numerical simulations and theoretical calculations based on rigorous-coupled wave analysis. The transmission peaks are originated from Fabry-Perot resonances together with the couplings between the diffractive wave on the surface and the multiple guided modes in the slits. Moreover, the transmission modes can be efficiently tuned by adjusting the cavity geometry, without changing the grating thickness. The mechanism is analyzed based on an equivalent circuit model and verified by both the theoretical calculations and the numerical simulations. This research has potential application in acoustic-device miniaturization over a wide range of wavelengths.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Parametric study of transport beam lines for electron beams accelerated by laser-plasma interaction

In the last decade, laser-plasma acceleration of high-energy electrons has attracted strong attention in different fields. Electrons with maximum energies in the GeV range can be laser-accelerated within a few cm using multi-hundreds terawatt (TW) lasers, yielding to very high beam currents at the source (electron bunches with up to tens-hundreds of pC in a few fs). While initially the challenge was to increase the maximum achievable electron energy, today strong effort is put in the control and usability of these laser-generated beams that still lack of some features in order to be used for applications where currently conventional, radio-frequency (RF) based, electron beam lines represent the most common and efficient solution. Several improvements have been suggested for this purpose, some of them acting directly on the plasma source, some using beam shaping tools located downstream. Concerning the latter, several studies have suggested the use of conventional accelerator magnetic devices (such as quadrupoles and solenoids) as an easy implementable solution when the laser-plasma accelerated beam requires optimization. In this paper, we report on a parametric study related to the transport of electron beams accelerated by laser-plasma interaction, using conventional accelerator elements and tools. We focus on both, high energy electron beams in the GeV range, as produced on petawatt (PW) class laser systems, and on lower energy electron beams in the hundreds of MeV range, as nowadays routinely obtained on commercially available multi-hundred TW laser systems. For both scenarios, our study allows understanding what are the crucial parameters that enable laser-plasma accelerators to compete with conventional ones and allow for a beam transport. We show that suitable working points require a tradeoff-combination between low beam divergence and narrow energy spread.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

An energy-modified quantum defect method for the analysis of Rydberg spectra: Application to 2-butyne

The high resolution Rydberg absorption spectrum of 2-butyne C 4 H 6 recorded previously at the SOLEIL synchrotron facility has been interpreted using multichannel quantum defect theory (MQDT). The calculations are based on the continuum scattering calculations of Xu et al., J. Chem. Phys. 136, 154303 (2012) and of Jacovella et al., J. Phys. Chem. A 119, 12339 (2015) pertaining to the dipole-allowed excited state symmetries in absorption from the ground state. In contrast to the traditional approach of calculating low-lying electronic states first and then attempting to extend the calculations to ever higher energy, here the analysis proceeds through the extension of these detailed calculations of the electronic continuum scattering down into the discrete region of the spectrum. The continuum reaction matrices and dipole transition moments are adapted to the discrete Rydberg region via the use of an energy-modified formulation of MQDT theory and associated energy dependences of the quantum defects. The analysis reproduces more than 40 Rydberg states from n ≈ 10 down to the 3 d and 4 s levels with an rms error of better than 20 cm −1 . Further, these belong to five Rydberg series with three different molecular symmetries. While the approach predicts many additional series, most of these are calculated and observed to carry only little oscillator strength. The analysis shows that the Rydberg spectrum is dominated by the excitation of an e″ symmetry electron of fδ and gπ type, in line with what previous studies of the above-threshold shape resonance of 2-butyne have shown. The present study is intended to serve as an example showing how first principles continuum calculations may be useful for the interpretation of highly bound discrete states in a range that poses problems for the standard ab initio techniques. The quantitative treatment of the dipole absorption cross sections is deferred to a future paper.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Periodic Korteweg–de Vries soliton potentials generate quasisymmetric magnetic field strength in a finite plasma- β equilibrium

Quasisymmetry (QS) is a hidden symmetry of the magnetic field strength, B , that enables effective confinement of charged particles in a fully three-dimensional (3D) toroidal plasma equilibrium. Such equilibria are typically modeled by the ideal magnetohydrostatic (MHS) equations. The nonlinear, overdetermined nature of the QS MHS equations severely complicates our understanding of the interplay between 3D shaping, equilibrium properties such as pressure and rotational transform, and B . Progress has been made through expansions near the magnetic axis; however, a more comprehensive theory is desirable. Using a combination of analysis and regression on a large dataset of numerically optimized quasisymmetric stellarators, we demonstrate that there is a hidden lower dimensionality of B on a magnetic flux surface with connections to the theory of periodic solitons. We show that B on a flux surface is determined by three or at most four flux functions, each of which determines a critical value of the derivative of B along the field line. While being consistent with the near-axis models, our results are global and hold even on the last closed flux surface.

Differential geometry↗
DOE OSTI2013

Dark radiation sterile neutrino candidates after Planck data

Recent Cosmic Microwave Background (CMB) results from the Planck satellite, combined with previous CMB data and Hubble constant measurements from the Hubble Space Telescope, provide a constraint on the effective number of relativistic degrees of freedom 3.62{sup +0.50}{sub −0.48} at 95% CL. New Planck data provide a unique opportunity to place limits on models containing relativistic species at the decoupling epoch. We present here the bounds on sterile neutrino models combining Planck data with galaxy clustering information. Assuming N{sub eff} active plus sterile massive neutrino species, in the case of a Planck+WP+HighL+HST analysis we find m{sub ν,} {sub sterile}{sup eff} < 0.36 eV and 3.14 < N{sub eff} < 4.15 at 95% CL, while using Planck+WP+HighL data in combination with the full shape of the galaxy power spectrum from the Baryon Oscillation Spectroscopic Survey BOSS Data Relase 9 measurements, we find that 3.30 < N{sub eff} < 4.43 and m{sub ν,} {sub sterile}{sup eff} < 0.33 eV both at 95% CL with the three active neutrinos having the minimum mass allowed in the normal hierarchy scheme, i.e. ∑m{sub ν} ∼ 0.06 eV. These values compromise the viability of the (3+2) massive sterile neutrino models for the parameter region indicated by global fits of neutrino oscillation data. Within the (3+1) massive sterile neutrino scenario, we find m{sub ν,} {sub sterile}{sup eff} < 0.34 eV at 95% CL. While the existence of one extra sterile massive neutrino state is compatible with current oscillation data, the values for the sterile neutrino mass preferred by oscillation analyses are significantly higher than the current cosmological bound. We review as well the bounds on extended dark sectors with additional light species based on the latest Planck CMB observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Leakage of power from dipole to higher multipoles due to non-symmetric beam shape of the CMB missions

A number of studies of WMAP and Planck claimed the low multipole (specially quadrupole) power deficiency in CMB power spectrum. Anomaly in the orientations of the low multipoles have also been claimed. There is a possibility that the power deficiency at low multipoles may not be of primordial origin and is only an observation artifact coming from the scan procedure adapted in the WMAP or Planck satellites. Therefore, it is always important to investigate all the observational artifacts that can mimic them. The CMB dipole which is much higher than the quadrupole can leak to the higher multipoles due to the non-symmetric beam shape of the WMAP or Planck. We observe that a non-negligible amount of power from the dipole can get transferred to the quadrupole and the higher multipoles due to the non-symmetric beam shapes and contaminate the observed measurements. The orientation of the quadrupole generated by this power transfer is surprisingly very close to the quadrupole observed from the WMAP and Planck maps. However, our analysis shows that the orientation of the quadrupole can not be explained using only the dipole power leakage. In this paper we calculate the amount of quadrupole power leakage for different WMAP bands. For Planck we present the results in terms of upper limits on asymmetric beam parameters that can lead to significant amount of power leakage.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Gravitational effective field theory islands, low-spin dominance, and the four-graviton amplitude

Abstract We analyze constraints from perturbative unitarity and crossing on the leading contributions of higher-dimension operators to the four-graviton amplitude in four spacetime dimensions, including constraints that follow from distinct helicity configurations. We focus on the leading-order effect due to exchange by massive degrees of freedom which makes the amplitudes of interest infrared finite. In particular, we place a bound on the coefficient of the R 3 operator that corrects the graviton three-point amplitude in terms of the R 4 coefficient. To test the constraints we obtain nontrivial effective field-theory data by computing and taking the large-mass expansion of the one-loop minimally-coupled four-graviton amplitude with massive particles up to spin 2 circulating in the loop. Remarkably, we observe that the leading EFT coefficients obtained from both string and one-loop field-theory amplitudes lie in small islands. The shape and location of the islands can be derived from the dispersive representation for the Wilson coefficients using crossing and assuming that the lowest-spin spectral densities are the largest. Our analysis suggests that the Wilson coefficients of weakly-coupled gravitational physical theories are much more constrained than indicated by bounds arising from dispersive considerations of 2 → 2 scattering. The one-loop four-graviton amplitudes used to obtain the EFT data are computed using modern amplitude methods, including generalized unitarity, supersymmetric decompositions and the double copy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Machine learning neutrino-nucleus cross sections

Neutrino-nucleus scattering cross sections are critical theoretical inputs for long-baseline neutrino oscillation experiments. However, robust modeling of these cross sections remains challenging. For a simple but physically motivated toy model of the DUNE experiment, we demonstrate that an accurate neural-network model of the cross section—leveraging only Standard-Model symmetries—can be learned from near-detector data. We perform a neutrino oscillation analysis with simulated far-detector events, finding that oscillation analysis results enabled by our data-driven cross-section model approach the theoretical limit achievable with perfect prior knowledge of the cross section. We further quantify the effects of flux shape and detector resolution uncertainties as well as systematics from cross-section mismodeling. This proof-of-principle study highlights the potential of future neutrino near-detector datasets and data-driven cross-section models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Comparison of Single-Event Transients in an Epitaxial Silicon Diode Resulting from Heavy Ion-, Focused X-Ray-, and Pulsed Laser-Induced Charge Generation

Heavy ion, focused x-ray, and pulsed laser single event transient experiments are performed on a silicon epitaxial diode. Collected charge, transient rise times, and transient fall times are calculated and compared between the different sources. It is observed that these transient shape characteristics depend on the source (ion, x-ray, or laser), even when similar amounts of charge are generated. Finally, the observed differences are examined and explained in terms of basic charge collection mechanisms.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

SU-D-207B-07: Development of a CT-Radiomics Based Early Response Prediction Model During Delivery of Chemoradiation Therapy for Pancreatic Cancer

Purpose: Pilot study developing a CT-texture based model for early assessment of treatment response during the delivery of chemoradiation therapy (CRT) for pancreatic cancer. Methods: Daily CT data acquired for 24 pancreatic head cancer patients using CT-on-rails, during the routine CT-guided CRT delivery with a radiation dose of 50.4 Gy in 28 fractions, were analyzed. The pancreas head was contoured on each daily CT. Texture analysis was performed within the pancreas head contour using a research tool (IBEX). Over 1300 texture metrics including: grey level co-occurrence, run-length, histogram, neighborhood intensity difference, and geometrical shape features were calculated for each daily CT. Metric-trend information was established by finding the best fit of either a linear, quadratic, or exponential function for each metric value verses accumulated dose. Thus all the daily CT texture information was consolidated into a best-fit trend type for a given patient and texture metric. Linear correlation was performed between the patient histological response vector (good, medium, poor) and all combinations of 23 patient subgroups (statistical jackknife) determining which metrics were most correlated to response and repeatedly reliable across most patients. Control correlations against CT scanner, reconstruction kernel, and gated/nongated CT images were also calculated. Euclidean distance measure was used to group/sort patient vectors based on the data of these trend-response metrics. Results: We found four specific trend-metrics (Gray Level Coocurence Matrix311-1InverseDiffMomentNorm, Gray Level Coocurence Matrix311-1InverseDiffNorm, Gray Level Coocurence Matrix311-1 Homogeneity2, and Intensity Direct Local StdMean) that were highly correlated with patient response and repeatedly reliable. Our four trend-metric model successfully ordered our pilot response dataset (p=0.00070). We found no significant correlation to our control parameters: gating (p=0.7717), scanner (p=0.9741), and kernel (p=0.8586). Conclusion: We have successfully created a CT-texture based early treatment response prediction model using the CTs acquired during the delivery of chemoradiation therapy for pancreatic cancer. Future testing is required to validate the model with more patient data.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Measurement of ${{\mathrm{D}}^0}$, ${{\mathrm{D}}^+}$, ${{\mathrm{D}}^{*+}}$ and ${{\mathrm{D}}^+_{\mathrm{s}}}$ production in pp collisions at ${\sqrt{{\textit{s}}}~=~5.02~{\text {TeV}}}$ with ALICE

The measurements of the production of prompt D 0 , D + , D *+ , and D$_s^+$ mesons in proton–proton (pp) collisions at $\sqrt{s}$=5.02 TeV with the ALICE detector at the Large Hadron Collider (LHC) are reported. D mesons were reconstructed at mid-rapidity (|y| < 0.5) via their hadronic decay channels D 0 → K - $π$ + , D + → K - $π$ + $π$ + , D *+ → D 0 $π$ + → K - $π$ + $π$ + , D$_s^+$ → Φ$π$ + → K + K - $π$ + , and their charge conjugates. The production cross sections were measured in the transverse momentum interval 0 < $p$T < 36 GeV/$c$ for D 0 , 1 < $p$T < 36 GeV/$c$ for D + and D *+ , and in 2 < $p$T < 24 GeV/$c$ for D$_s^+$ mesons. Thanks to the higher integrated luminosity, an analysis in finer $p$T bins with respect to the previous measurements at $\sqrt{s}$ = 7 TeV was performed, allowing for a more detailed description of the cross-section $p$T shape. The measured $p$T differential production cross sections are compared to the results at √ s = 7 TeV and to four different perturbative QCD calculations. Its rapidity dependence is also tested combining the ALICE and LHCb measurements in pp collisions at $\sqrt{s}$ = 5.02 TeV. This measurement will allow for a more accurate determination of the nuclear modification factor in p–Pb and Pb–Pb collisions performed at the same nucleon– nucleon centre-of-mass energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Cosmological Hydrodynamics at Exascale: A Trillion-Particle Leap in Capability

Resolving the most fundamental questions in cosmology requires simulations that match the scale, fidelity, and physical complexity demanded by next-generation sky surveys. To achieve the realism needed for this critical scientific partnership, detailed gas dynamics must be treated self-consistently with gravity for end-to-end modeling of structure formation. Exascale computing enables simulations that span survey-scale volumes while incorporating key astrophysical processes that shape complex cosmic structures. We present results from CRK-HACC, a cosmological hydrodynamics code built for extreme scalability. Using separation-of-scale techniques, GPU-resident tree solvers, in situ analysis pipelines, and multi-tiered I/O, CRK-HACCexecuted Frontier-E: a four trillion particle full-sky simulation, over an order of magnitude larger than previous efforts. The run achieved 513.1 PFLOPs peak performance, processing 46.6 billion particles per second and writing more than 100 PB of data in just over one week of runtime. Frontier-E marks a significant advance in predictive modeling for next-generation cosmological science.

Frontiere, Nicholas [Argonne National Laboratory (↗
DOE OSTI2017

Search for new phenomena in high-mass final states with a photon and a jet from p p collisions at s = 13 TeV with the ATLAS detector

A search is performed for new phenomena in events with a high-transverse momentum photon and jets collected in 36.7/fb of pp collisions at a centre-of-mass energy of 13 TeV recorded with the ATLAS detector at the Large Hadron Collider. The invariant mass distribution of the leading photon and jet is examined to look for a resonant production of new particles or the presence of new high-mass states beyond the Standard Model. No significant deviation is observed in the mass distribution from the background-only hypothesis and cross section limits for generic Gaussian-shaped resonances are extracted. Excited quarks hypothesized in the quark compositeness model and high-mass states predicted in the quantum black hole models with extra dimensions are also examined in the analysis. The observed data exclude, at 95% confidence level, mass range below 5.3 TeV for the excited quarks and 7.1 TeV (4.4 TeV) for the quantum black holes with six (one) extra dimensions in the Arkani-Hamed-Dimopoulos-Dvali (Randall-Sundrum) model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Diffraction Contrast Tomography: A Novel 3D Polycrystalline Grain Imaging Technique

Diffraction contrast tomography (DCT) is a non-destructive way of imaging microstructures of polycrystalline materials such as metals or crystalline organics. It is a useful technique to map 3D grain structures as well as providing crystallographic information such as crystal orientation, grain shape, and strain. Understanding the internal microstructure of a material is important in understanding the bulk material properties. This report gives a general overview of the similar techniques, DCT data acquisition, and analysis processes. Following the short literature review, potential work and research at Los Alamos National Laboratory (LANL) is discussed.

36 MATERIALS SCIENCE↗