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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

PVDF-based backsheet cracking: Mapping in situ phase evolution by X-ray scattering

One of the most common polymers used in commercial photovoltaic backsheets is polyvinylidene fluoride (PVDF). However, recent reports have shown the potential for PVDF-based backsheets to crack and fail prematurely. Previous work has suggested that polymer phase changes play a role in the failure mechanism. Here, in situ wide-angle X-ray scattering maps are used to show that α- to β-phase transformations occur at crack tips in aged PVDF-based backsheets under stretching. Substantial β-phase formation is shown to be associated with strain hardening. In addition, our work demonstrates that β-phase formation is not required for crack growth and only occurs at crack tips when plastic deformation of the PVDF polymer has occurred. In conclusion, the anisotropy in the strength of aged PVDF-based backsheets is linked to the lack of β-phase formation when strain is applied to aged backsheets in the transverse direction.

14 SOLAR ENERGY↗
DOE OSTI2016

Statistical Hauser-Feshbach theory with width-fluctuation correction including direct reaction channels for neutron-induced reactions at low energies

Here, a model to calculate particle-induced reaction cross sections with statistical Hauser-Feshbach theory including direct reactions is given. The energy average of the scattering matrix from the coupled-channels optical model is diagonalized by the transformation proposed by Engelbrecht and Weidenmüller [C. A. Engelbrecht and H. A. Weidenmüller, Phys. Rev. C 8, 859 (1973)]. The ensemble average of S -matrix elements in the diagonalized channel space is approximated by a model of Moldauer [P. A. Moldauer, Phys. Rev. C 12, 744 (1975)] using the newly parametrized channel degree-of-freedom ν a to better describe the Gaussian orthogonal ensemble (GOE) reference calculations. The Moldauer approximation is confirmed by a Monte Carlo study using a randomly generated S matrix, as well as the GOE threefold integration formula. Lastly, the method proposed is applied to the 238U(n,n') cross-section calculation in the fast-energy range, showing an enhancement in the inelastic scattering cross sections.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Photometric redshifts for the S-PLUS Survey: Is machine learning up to the task?

The Southern Photometric Local Universe Survey (S-PLUS) is a novel project that aims to map the Southern Hemisphere using a twelve filter system, comprising five broad-band SDSS-like filters and seven narrow-band filters optimized for important stellar features in the local universe. In this paper we use the photometry and morphological information from the first S-PLUS data release (S-PLUS DR1) cross-matched to unWISE data and spectroscopic redshifts from Sloan Digital Sky Survey DR15. We explore three different machine learning methods (Gaussian Processes with GPz and two Deep Learning models made with TensorFlow) and compare them with the currently used template-fitting method in the S-PLUS DR1 to address whether machine learning methods can take advantage of the twelve filter system for photometric redshift prediction. Using tests for accuracy for both single-point estimates such as the calculation of the scatter, bias, and outlier fraction, and probability distribution functions (PDFs) such as the Probability Integral Transform (PIT), the Continuous Ranked Probability Score (CRPS) and the Odds distribution, we conclude that a deep-learning method using a combination of a Bayesian Neural Network and a Mixture Density Network offers the most accurate photometric redshifts for the current test sample. In conclusion, it achieves single-point photometric redshifts with scatter (σ NMAD ) of 0.023, normalized bias of -0.001, and outlier fraction of 0.64% for galaxies with r_auto magnitudes between 16 and 21.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

A flexible neutron spectrometer concept with a new ultra-high field steady-state vertical-bore magnet

The proposed facility explores materials under ultra-high magnetic fields. By combining the power of high fields to tune materials and of neutron scattering to probe the resulting changes down to the atomic scale, this facility will enable transformative progress in the study of quantum materials and is named for the “TITAN” subset of Greek gods to reflect this transformation. TITAN will offer DC magnetic fields up to at least 20 T. Exploiting the record brightness and bandwidth of the Second Target Station at the Spallation Neutron Source, TITAN will probe atomic-scale responses through high efficiency neutron spectroscopy up to 80 meV energy transfer, high resolution diffraction, and small angle neutron scattering. Focusing neutron optics will maximize flux on accurately positioned samples, while radial collimation and optimized shielding and detection strategies will minimize backgrounds.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Measurement of the Fast Neutron Response for {sup 4}He Scintillation Detectors Using a Coincidence Scattering Method

Previous work has measured the neutron response of pressurized {sup 4}He scintillation detectors, however these studies only examine the response as a function of incident neutron energy. Since the detection mechanism in {sup 4}He detectors is elastic scattering, and the interacting neutron will only deposit a fraction of its incident kinetic energy in the detector gas, an examination of the response of the detector output to deposited energy is necessary to transform these detectors into instruments for neutron spectrometry. Using a combined time-of-flight (TOF) and coincidence scattering method, this paper further characterizes the {sup 4}He light response to fast neutrons by examining the scintillation light yield as a function of deposited energy, measuring the light response up to 5 MeV. These {sup 4}He detectors are simple in design, and are manufactured by Arktis Radiation Detectors in several sizes. The specific model used in this experiment had an active volume 20 cm long with an inner diameter of 4.4 cm, giving a total active volume of 304 cm{sup 3}. The key components include the active volume, filled with 150 bar of helium-4 gas, and photomultiplier tubes (PMTs) mounted at either end of the active volume. The detector body is made of stainless steel. The detector response was experimentally measured using a two-detector coincidence arrangement with a {sup 252}Cf source. Two {sup 4}He detectors were vertically mounted, and the source was placed at a horizontal distance from the center of the bottom detector, forming a right angle. By requiring coincidence between the two detectors, it was confirmed that each neutron interacting in the second (top) detector must first have undergone a scattering interaction in the first (bottom) detector, and the time-of-flight (TOF) technique could then be used to determine the energy of the neutron as it traveled between the two detectors by the difference in time between the two detector events. More importantly, with the scattering angle known, the amount of energy deposited by the neutron in the bottom detector (ER) was also calculated using kinematic scattering equations. This deposited recoil energy was then compared to the corresponding light output for each event to form a deposited energy scintillation light response matrix. Similarly, the system's insensitivity to gammas and its ability to reject gammas by pulse shape discrimination (PSD) are often cited as an important advantage, although a detailed analysis of these capabilities has not yet been performed. This work therefore quantified these parameters in order to further characterize these detectors for future mixed radiation field measurements. Gamma sources were measured spanning a range of gamma-ray energies from 0.122 MeV to 1.332 MeV, including {sup 57}Co, {sup 137}Cs, {sup 54}Mn, and {sup 60}Co. Each source was counted by the {sup 4}He detector and the background subtracted. Taking the ratio of the number of events detected during the experimental source measurement to the number of gammas predicted by MCNPX to pass through the detector volume yields the detector's intrinsic gamma efficiency. The difference between this fraction and unity is therefore a measure of the detector's ability to ignore interfering gamma rays, defined as its inherent gamma rejection rate. The ability of post-processing PSD algorithms to further reduce the number of gammas is also investigated and quantified. Finally, it has been noted that the scintillation signal from a single neutron event can be separated in time into two components: the fast component is a sharp peak that exists on the order of nanoseconds; the slow component is a series of smaller pulses, stretched out over four microseconds. Whereas previous research has exclusively focused on the energy information contained in the slow component, this work demonstrates that the fast component is also sensitive to neutron energy, and the entire scintillation signal can therefore be used. In conclusion, the relationship of fast neutron {sup 4}He scintillation detectors to deposited neutron energy was explored, and will be combined with previous works that measured the scintillation response to incident neutron energy in order to develop a neutron spectrometer. Similarly, the ability of these {sup 4}He detectors to reject interfering gamma rays was also quantified, and so will enable this spectrometer to be deployed in mixed radiation field measurements. Finally, while previous works with these detectors have focused on an analysis of the slow scintillation component, it was demonstrated in this work that the fast component also contains significant energy information.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Searching for an Enhanced Signal of the Onset of Color Transparency in Baryons with D(e,e′p)n Scattering

Observation of the onset of color transparency in baryons would provide a new means of studying the nuclear strong force and would be the first clear evidence of baryons transforming into a color-neutral point-like size in the nucleus as predicted by quantum chromodynamics. Recent C(e,e′p) results from electron-scattering did not observe the onset of color transparency (CT) in protons up to spacelike four-momentum transfers squared, Q2=14.2 GeV2. The traditional methods of searching for CT in (e,e′p) scattering use heavy targets favoring kinematics with already initially reduced final state interactions (FSIs) such that any CT effect that further reduces FSIs will be small. The reasoning behind this choice is the difficulty in accounting for all FSIs. D(e,e′p)n, on the other hand, has well-understood FSI contributions from double scattering with a known dependence on the kinematics and can show an increased sensitivity to hadrons in point-like configurations. Double scattering is the square of the re-scattering amplitude in which the knocked-out nucleon interacts with the spectator nucleon, a process that is suppressed in the presence of point-like configurations and is particularly well-studied for the deuteron. This suppression yields a quadratic sensitivity to CT effects and is strongly dependent on the choice of kinematics. Here, we describe a possible Jefferson National Accelerator Facility (JLab) electron-scattering experiment that utilizes these kinematics and explores the potential signal for the onset of CT with enhanced sensitivity as compared to recent experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Optical modeling of plasma-deposited ZnO films: Electron scattering at different length scales

In this work, an optical modeling study on electron scattering mechanisms in plasma-deposited ZnO layers is presented. Because various applications of ZnO films pose a limit on the electron carrier density due to its effect on the film transmittance, higher electron mobility values are generally preferred instead. Hence, insights into the electron scattering contributions affecting the carrier mobility are required. In optical models, the Drude oscillator is adopted to represent the free-electron contribution and the obtained optical mobility can be then correlated with the macroscopic material properties. However, the influence of scattering phenomena on the optical mobility depends on the considered range of photon energy. For example, the grain-boundary scattering is generally not probed by means of optical measurements and the ionized-impurity scattering contribution decreases toward higher photon energies. To understand this frequency dependence and quantify contributions from different scattering phenomena to the mobility, several case studies were analyzed in this work by means of spectroscopic ellipsometry and Fourier transform infrared (IR) spectroscopy. The obtained electrical parameters were compared to the results inferred by Hall measurements. For intrinsic ZnO (i-ZnO), the in-grain mobility was obtained by fitting reflection data with a normal Drude model in the IR range. For Al-doped ZnO (Al:ZnO), besides a normal Drude fit in the IR range, an Extended Drude fit in the UV-vis range could be used to obtain the in-grain mobility. Scattering mechanisms for a thickness series of Al:ZnO films were discerned using the more intuitive parameter “scattering frequency” instead of the parameter “mobility”. The interaction distance concept was introduced to give a physical interpretation to the frequency dependence of the scattering frequency. This physical interpretation furthermore allows the prediction of which Drude models can be used in a specific frequency range.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Modular Approach for the Synthesis of Bottlebrush Diblock Copolymers from Poly(Glycidyl Methacrylate)-block-Poly(Vinyldimethylazlactone) Backbones

A strategy that enables the facile synthesis of bottlebrush block copolymers with flexible backbones was developed. A demonstration of the strategy’s utility was carried out by grafting end-functionalized polymethylmethacrylate (PMMA) and polystyrene (PS) to the dually reactive block copolymer, poly(glycidyl methacrylate)-block-poly(vinyldimethylazlactone) (PGMA-b-PVDMA). Five different bottlebrush diblock copolymers were investigated by size-exclusion chromatography (SEC), 1H NMR, Fourier transform infrared (FT-IR), differential scanning calorimetry (DSC), X-ray scattering methods, atomic force microscopy (AFM), rheology and computational simulations using molecular dynamics (MD), and self-consistent field theory (SCFT). A relationship between the glass transition temperature and the fraction of chain ends was demonstrated by DSC and highlights the potential of this synthetic method to tailor polymer properties. All five samples were found to be in a disordered phase exhibiting multiscale structures revealed by two broad peaks in small-angle X-ray scattering (SAXS) that can be attributed to graft-to-graft and backbone-to-backbone density correlations using MD simulations. The SCFT-based simulations justify the observation of a disordered phase due to its stabilization by the grafts. Additionally, this modular approach can be easily extended to other grafts, including responsive, conducting, and charged polymers with the prerequisite end groups. The versatility and ease of assembling these functional bottlebrushes constitute a powerful “toolbox” method for the rapid and scalable synthesis of novel bottlebrush block copolymers with desired properties.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Gallstone-Formation-Inspired Bimetallic Supra-nanostructures for Computed-Tomography-Image-Guided Radiation Therapy

Inspired by the gallstone formation mechanism, we report here a fast one-pot synthesis of high-surface-area bimetallic hierarchical supra-nanostructures. As gallstones are generated from metal cholate complexes, cholate bile acid molecules with Au/Ag metal precursors formed stable nanocomplexes aggregated with metal Au ions and preformed ~2 nm silver halide nanoparticles before reduction. When a reducing agent was added, the metal cholate nanocomplexes quickly formed noble bimetallic hierarchical supra-nanostructures. The morphology of bimetallic supra-nanostructures could be tailored by changing the feeding ratio of each metal precursor. In situ synchrotron small-angle X-ray scattering measurement with a custom-designed reaction cell showed two-step growth and attachment behavior toward hierarchical supra-nanostructures from the gallstone-formation-inspired metal cholate nanocomplexes in a 60 s reaction. Additional wide-angle X-ray scattering, X-ray absorption near-edge structure, in situ Fourier transform infrared, and high-resolution scanning transmission electron microscopy investigations subsequently revealed the mechanism for the evolution of bimetallic hierarchical supra-nanostructures. The gallstone-formation-inspired synthesis mechanism can be universally applied to other metals, for example, Pt–Ag and Pd–Ag bimetallic nanostructures. The synthesized high-surface-area bimetallic supra-nanostructures demonstrated significantly enhanced X-ray computed tomography imaging contrast and radiosensitizing effect for a potential image-guided nanomedicine application. We believe that our synthetic method inspired by gallstone formation and understanding represents an important step toward the development of hierarchical nanoparticles for various applications.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Anisotropy, band-to-band transitions, phonon modes, and oxidation properties of cobalt-oxide core-shell slanted columnar thin films

Highly ordered and spatially coherent cobalt slanted columnar thin films (SCTFs) were deposited by glancing angle deposition onto silicon substrates, and subsequently oxidized by annealing at 475 °C. Scanning electron microscopy, Raman scattering, generalized ellipsometry, and density functional theory investigations reveal shape-invariant transformation of the slanted nanocolumns from metallic to transparent metal-oxide core-shell structures with properties characteristic of spinel cobalt oxide. We find passivation of Co-SCTFs yielding Co-Al{sub 2}O{sub 3} core-shell structures produced by conformal deposition of a few nanometers of alumina using atomic layer deposition fully prevents cobalt oxidation in ambient and from annealing up to 475 °C.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Influence of induced colour centres on the frequency – angular spectrum of a light bullet of mid-IR radiation in lithium fluoride

The influence of the occurrence of a structure consisting of long-lived colour centres, formed in an LiF crystal upon filamentation of femtosecond mid-IR radiation, on the supercontinuum characteristics is investigated. With an increase in the number of incident pulses, the length and transverse size of the structure of colour centres induced in LiF increase, and the supercontinuum spectrum in the short-wavelength region is markedly transformed due to the occurrence of the waveguide propagation regime, absorption, and scattering of radiation from the newly formed structure of colour centres. Under these conditions, the intensity of the anti-Stokes wing decreases by two orders of magnitude after several tens of pulses. Spectral components arise in the visible range, the angular divergence of which increases with increasing wavelength. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Probabilistic neural networks for improved analyses with phenomenological R -matrix

Here we present a method for measurement analyses based on probabilistic deep neural networks that provide several advantages over conventional analyses with phenomenological models. These include predicting physical quantities directly from data, the rapid generation of statistically robust uncertainties, and the ability to bypass some parameters that may induce ambiguities and complications in data analysis. As deep learning methods make predictions through “black boxes,” the uncertainty quantification is typically challenging. We use a probabilistic framework that provides thorough uncertainty quantification and is straightforward to follow in practice. With the network architecture based on the Transformer, we demonstrate the current method for predicting nuclear resonance parameters from scattering data using the phenomenological R-matrix model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Constraining neutrino-DM interactions with Milky Way dwarf spheroidals and supernova neutrinos

We constrain the neutrino-dark matter cross section using properties of the dark matter density profiles of Milky Way dwarf spheroidal galaxies. The constraint arises from core-collapse supernova neutrinos scattering on dark matter as a form of energy injection, allowing the transformation of the dark matter density profile from a cusped profile to a flatter profile. We assume a standard cosmology of dark energy and cold, collisionless, and non-self-interacting dark matter. By requiring that the dark matter cores do not lose too much mass or overshoot constraints from stellar kinematics, we place an upper limit on the cross section of σ ν − DM ( E ν = 15 MeV , m χ ≲ 130 GeV ) ≈ 3.4 × 10 − 23 cm 2 and σ ν − DM ( E ν = 15 MeV , m χ ≳ 130 GeV ) ≈ 3.2 × 10 − 27 ( m χ 1 GeV ) 2 cm 2 , which is stronger than previous bounds for these energies. Consideration of baryonic feedback or host galaxy effects on the dark matter profile can strengthen this constraint. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2018

Role of Reversible Phase Transformation for Strong Piezoelectric Performance at the Morphotropic Phase Boundary

A functional material with coexisting energetically equivalent phases often exhibits extraordinary properties such as piezoelectricity, ferromagnetism, and ferroelasticity, which is simultaneously accompanied by field-driven reversible phase transformation. The study on the interplay between such phase transformation and the performance is of great importance. Here, we have experimentally revealed the important role of field-driven reversible phase transformation in achieving enhanced electromechanical properties using in situ high-energy synchrotron x-ray diffraction combined with 2D geometry scattering technology, which can establish a comprehensive picture of piezoelectric-related microstructural evolution. High-throughput experiments on various Pb/Bi-based perovskite piezoelectric systems suggest that reversible phase transformation can be triggered by an electric field at the morphotropic phase boundary and the piezoelectric performance is highly related to the tendency of electric-field-driven phase transformation. A strong tendency of phase transformation driven by an electric field generates peak piezoelectric response. Further, phase-field modeling reveals that the polarization alignment and the piezoelectric response can be much enhanced by the electric-field-driven phase transformation. In conclusion, the proposed mechanism will be helpful to design and optimize the new piezoelectrics, ferromagnetics, or other related functional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

GPU-accelerated multitiered iterative phasing algorithm for fluctuation X-ray scattering

The multitiered iterative phasing (MTIP) algorithm is used to determine the biological structures of macromolecules from fluctuation scattering data. It is an iterative algorithm that reconstructs the electron density of the sample by matching the computed fluctuation X-ray scattering data to the external observations, and by simultaneously enforcing constraints in real and Fourier space. This paper presents the first ever MTIP algorithm acceleration efforts on contemporary graphics processing units (GPUs). The Compute Unified Device Architecture (CUDA) programming model is used to accelerate the MTIP algorithm on NVIDIA GPUs. The computational performance of the CUDA-based MTIP algorithm implementation outperforms the CPU-based version by an order of magnitude. Furthermore, the Heterogeneous-Compute Interface for Portability (HIP) runtime APIs are used to demonstrate portability by accelerating the MTIP algorithm across NVIDIA and AMD GPUs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Arctic Aerosol Sources and Mixing States Field Campaign Report

The Arctic is warming at a faster rate than anywhere else on Earth, with rapidly shrinking sea ice extent transforming the region. Depending on chemical and physical properties, atmospheric aerosols directly scatter and/or absorb radiation, serve as cloud droplet and/or ice crystal nuclei, and/or reduce the reflectiveness of the snow surface, thereby altering the atmospheric energy budget. There is a wide spread in the magnitude of simulated arctic aerosol radiative forcing, and significant differences in aerosol concentration levels and seasonal cycles often exist between models and observations. Increasing local natural and anthropogenic emissions are significant, with uncertain climate impacts due to complex feedbacks. Model evaluations, however, are limited by the dearth of arctic aerosol observations available and an inadequate understanding of arctic aerosol processes. The majority of previous arctic aerosol observations have been made through intensive spring/summer field campaigns, with few intensive measurement studies focused on the fall-winter transition, a period when freeze-up is occurring later and thinning sea ice is resulting in wintertime ice fracturing. Aerosol monitoring at arctic coastal stations has provided knowledge of long-term seasonal trends in aerosol concentrations. The completed ARM field campaign addresses observational and knowledge gaps through detailed aerosol size and chemical composition measurements during the fall-winter transition in the coastal Arctic and through the entire annual cycle in the central Arctic. The observations are improving our understanding of the sources and processes controlling the aerosol population in the rapidly changing Arctic.

54 ENVIRONMENTAL SCIENCES↗