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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Investigating the Effects of Individual Neutron-Induced Defects in Bipolar Junction Transistors

Here, this study investigates neutron-induced displacement damage in Bipolar Junction Transistors (BJTs) using TCAD models informed by Deep-Level-Transient-Spectroscopy (DLTS) data. These models are calibrated and validated against experimental measurements performed at various neutron fluences. Both npn and pnp transistor configurations are studied to analyze the effects of individual traps on carrier recombination and base leakage currents. In npn transistors, deep traps (0.42 eV from the conduction band) dominate at low voltages, while shallow traps (0.17 eV from the conduction band) become prominent at higher voltages. Conversely, pnp transistors have base leakage current predominantly due to deep-level traps. The study observes a notable trend in trap density versus fluence, characterized by a linear relationship on a log-log scale. These insights into defect evolution under radiation conditions are crucial for optimizing semiconductor device reliability and performance in radiation-prone environments.

42 ENGINEERING↗
DOE OSTI2023

A Quantum-mechanical Treatment of Electron Broadening in Strong Magnetic Fields

Abstract Spectral line-shape fitting is an extremely useful tool in determining the gravity of white dwarf stars. This method is so far limited to nonmagnetic white dwarfs largely because the theory of line broadening in high magnetic fields is not as complete as in the nonmagnetic case. Current Stark+Zeeman models treat plasma particles classically and ignore the motion of the nucleus. We develop the formalism for a quantum-mechanical treatment of the perturbing electrons and include the nuclear motion as part of the broadening and explore their relative importance. The conditions we explore are those found in white dwarf and neutron star atmospheres. We find that, contrary to previous studies, the quantized perturbing electrons create more broadening than perturbers on a straight-path trajectory. Additionally, the quantization of the plasma electrons gives rise to resonances away from the line center. The nuclear motion creates an additional electric field, which also leads to an increase in line broadening; however, this effect in neutron star atmospheres is not as large as previously estimated. This suggests that neutron star spectral lines are sensitive to density and that their mass and radius can be obtained from spectral line fitting, which would help constrain the neutron star equation of state.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Charge radii of exotic potassium isotopes challenge nuclear theory and the magic character of N = 32

Nuclear charge radii are sensitive probes of different aspects of the nucleon–nucleon interaction and the bulk properties of nuclear matter, providing a stringent test and challenge for nuclear theory. Experimental evidence suggested a new magic neutron number at N = 32 in the calcium region, whereas the unexpectedly large increases in the charge radii open new questions about the evolution of nuclear size in neutron-rich systems. By combining the collinear resonance ionization spectroscopy method with β-decay detection, we were able to extend charge radii measurements of potassium isotopes beyond N = 32. Here we provide a charge radius measurement of 52 K. It does not show a signature of magic behaviour at N = 32 in potassium. The results are interpreted with two state-of-the-art nuclear theories. The coupled cluster theory reproduces the odd–even variations in charge radii but not the notable increase beyond N = 28. This rise is well captured by Fayans nuclear density functional theory, which, however, overestimates the odd–even staggering effect in charge radii. These findings highlight our limited understanding of the nuclear size of neutron-rich systems, and expose problems that are present in some of the best current models of nuclear theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Panning for Gold: New Emission Lines from UV–VIS Spectroscopy of Au i and Au ii

The recent detection of a neutron star merger by the LIGO collaboration has renewed interest in laboratory studies of r-process elements. Accurate modeling and interpretation of the electromagnetic transients following the mergers requires computationally expensive calculations of both the structure and opacity of all trans-iron elements. To date, the necessary atomic data to benchmark structure codes are incomplete or, in some cases, absent entirely. Within the available laboratory studies, the literature on Au i and Au ii provides incomplete reports of the emission lines and level structures. We present a new study of Au i and Au ii lines and levels by exposing a solid gold target to plasma in the Compact Toroidal Hybrid (CTH) experiment at Auburn University. A wavelength range from 187 to 800 nm was studied. In Au i, 86 lines are observed, 43 of which are unreported in the literature, and the energies of 18 $5{d}^{9}6s6p$ levels and 16 of the 18 known $5{d}^{9}6s6d$ levels are corroborated by a least-squares level energy optimization. In Au ii, 76 emission lines are observed, and 51 of the lines are unreported in the literature. For both Au i and Au ii, the new lines predominantly originate from the most energetic of the known levels, and over half of the new Au ii lines have wavelengths longer than 300 nm. For the estimated electron parameters of CTH plasmas at the gold target (ne ~ 10 12 cm -3 , T e ~ 10 eV), two-electron transitions are similar in intensity to LS-allowed one-electron transitions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Reversible Electrochemical Lithium Cycling in a Vanadium(IV)- and Niobium(V)-Based Wadsley–Roth Phase

Fast charging remains one of the greatest safety challenges in Li-ion batteries due to Li-dendrite growth occurring on graphite anodes if they are lithiated too quickly. The search for high-rate anodes has highlighted materials in the Wadsley–Roth (WR) shear phase family. The relative abundance of V compared with traditional WR compositions of Nb and W makes V-based phases attractive. However, the high voltage and poor reversibility typically associated with V redox have made V-rich WR phases less studied than Nb- and W-rich phases. Here, we show that a new V-rich Wadsley–Roth phase, V 7 Nb 6 O 29 , achieves excellent rate capability and 80% capacity retention after 228 cycles with a relatively low average voltage of 1.76 V vs Li/Li + compared with other V-rich WR phases. Single-crystal X-ray diffraction reveals a P4/m space group with repeating 2 × 2 × ∞ and 3 × 3 × ∞ blocks of V 4+ and Nb 5+ octahedra. Finally, combined neutron pair distribution function analysis, X-ray absorption spectroscopy, and density functional theory calculations show that V redox is the primary source of capacity and that cycling stability is provided by the stable octahedral coordination adopted by V 4+ in the material.

25 ENERGY STORAGE↗
DOE OSTI2021

Development of a rapid-transit system for precision nuclear physics measurements

A Rapid Belt-driven Irradiated Target Transfer System, named RABITTS, was developed for use at the Triangle Universities Nuclear Laboratory. This system allows for cyclic activation with neutron or photon beams, and measurement of reaction products using γ-ray spectroscopy. Both a 1 meter and 10 meter transfer system have been developed with transit times as low as 0.4 and 1.0 seconds, respectively. The systems are deployed at the tandem accelerator laboratory for use with monoenergetic neutron beams, and at the High-Intensity γ-ray Source facility for activation using photon beams. A detailed characterization of the systems’ performance and sensitivity is presented. In order to produce the highest accuracy cross-section data, a model for calculating corrections to cyclic activation with variable beam flux is developed and presented. We have commissioned these systems by measuring 197m Au, where we report a measured half-life of 7.73 ± 0.05 s and a 197 Au(n, n') 197m Au isomer production cross of 628 ± 28 mb at neutron energy E n = 2.0 MeV. In addition, we measured 90m Zr, where we report a measured half-life of 799.7 ± 8.0 ms and a 90 Zr(n, n') 90m Zr isomer production cross of 180 ± 12 mb at E n = 4.6 MeV. Furthermore, these measured half-lives are in excellent agreement with the evaluated values and the cross-section measurements are performed at previously unmeasured incident neutron energies.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2025

Direct Reactions and Spectroscopy with Hydrogen Targets at the RIBF

The implementation of MINOS, a liquid-hydrogen target and vertex-tracking system, at the Radioactive Isotope Beam Factory (RIBF) of the RIKEN Nishina Center has led to numerous nuclear physics discoveries. In experiments involving rare-isotope beams at intermediate energies, MINOS was integrated with the DALI2 + γ-ray spectrometer and other auxiliary devices. These were positioned in front of both the ZeroDegree Spectrometer and the SAMURAI magnetic spectrometers for the identification of ejectiles following quasi-free scattering direct reactions. Notable outcomes include the first spectroscopy of unstable doubly magic nucleus, investigations into multi-neutron decays, and the study of shell evolution along isotopic chains. These studies have significantly advanced our understanding of nuclear structure, as well as the mechanism of direct reactions with fast beams. Simultaneously, these direct reactions enabled raising new physics questions and paved the way for next-generation experimental setups to address them. Through the combination of particle- and γ-spectroscopy with a broad range of nuclear reactions, new frontiers will be established in our understanding of nuclear structure and reaction mechanisms. Here, we review the past ten years of studies on direct reactions and spectroscopy of exotic nuclei with liquid-hydrogen targets at the RIBF and define a vision for the future.

Bertulani, Carlos A [East Texas A & M Univ., Comme↗
DOE OSTI2021

Real-time nuclear activation detectors for measuring neutron angular distributions at the National Ignition Facility (invited)

The Real Time Nuclear Activation Detector (RTNAD) array at NIF measures the distribution of 14 MeV neutrons emitted by deuterium-tritium (DT) fueled inertial confinement fusion implosions. The uniformity of the neutron distribution is an important indication of implosion symmetry and DT shell integrity. The array consists of 48 LaBr 3 (Ce) crystal gamma-ray spectrometers mounted outside the NIF target chamber, which continuously monitor the slow decay of the 909 keV gamma-ray line from activated 89 Zr located in Zr cups surrounding each crystal. The measured decay rate dramatically increases during a DT implosion in proportion to the number of 14 MeV neutrons striking each Zr cup. The neutrons produce activated 89 Zr through an (n, 2n) reaction on 90 Zr, which is insensitive to low energy neutrons. The neutron flux along the detector line-of-sight at shot time is determined by extrapolating the fitted 909 keV decay curve back to shot time. Automatic analysis algorithms were developed to handle the non-stop data stream. The large number of detectors and the high statistical accuracy of the array enable the spherical harmonic modes of the neutron angular distribution to be measured up to L ≤ 4 to provide a better understanding of implosion dynamics. In addition, these data combined with measurements of the down-scattered neutrons can be used to derive fuel areal density distributions. This paper will describe the RTNAD hardware and analysis procedures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Fast Proton Insertion in Layered H 2 W 2 O 7 via Selective Etching of an Aurivillius Phase

H 2 W 2 O 7 , a metastable material synthesized via selective etching of the Aurivillius-related Bi 2 W 2 O 9 , is shown as an electrode for high power proton-based energy storage. Comprehensive structural characterization is performed to obtain a high-fidelity crystal structure of H 2 W 2 O 7 using an iterative approach that combines X-ray diffraction, neutron pair distribution function, scanning transmission electron microscopy, Raman spectroscopy, and density functional theory modeling. Electrochemical characterization shows a capacity retention of ≈80% at 1000 mV s –1 (1.5-s charge/discharge time) as compared to 1 mV s –1 (≈16-min charge/discharge time) with cyclability for over 100 000 cycles. Energetics from density functional theory calculations indicate that proton storage occurs at the terminal oxygen sites within the hydrated interlayer. Last, optical micrographs collected during in situ Raman spectroscopy show reversible, multicolor electrochromism, with color changes from pale yellow to blue, purple, and last, orange as a function of proton content. These results highlight the use of selective etching of layered perovskites for the synthesis of metastable transition metal oxide materials and the use of H 2 W 2 O 7 as an anode material for proton-based energy storage or electrochromic applications.

25 ENERGY STORAGE↗
DOE OSTI2022

Double Paddle‐Wheel Enhanced Sodium Ion Conduction in an Antiperovskite Solid Electrolyte

Abstract Antiperovskite structure compounds (X 3 AB, where X is an alkali cation and A and B are anions) have the potential for highly correlated motion between the cation and a cluster anion on the A or B site. This so‐called “paddle‐wheel” mechanism may be the basis for enhanced cation mobility in solid electrolytes. Through combined experiments and modeling, the first instance of a double paddle‐wheel mechanism, leading to fast sodium ion conduction in the antiperovskite Na 3− x O 1− x (NH 2 ) x (BH 4 ), is shown. As the concentration of amide (NH 2 − ) cluster anions is increased, large positive deviations in ionic conductivity above that predicted from a vacancy diffusion model are observed. Using electrochemical impedance spectroscopy, powder X‐ray diffraction, synchrotron X‐ray diffraction, neutron diffraction, ab initio molecular dynamics simulations, and NMR, the cluster anion rotational dynamics are characterized and it is found that cation mobility is influenced by the rotation of both NH 2 − and BH 4 − species, resulting in sodium ion conductivity a factor of 10 2 higher at x = 1 than expected for the vacancy mechanism alone. Generalization of this phenomenon to other compounds could accelerate fast ion conductor exploration and design.

25 ENERGY STORAGE↗
DOE OSTI2020

Phonon-mediated lipid raft formation in biological membranes

Short-wavelength collective molecular motions, also known as phonons, have recently attracted much interest in revealing dynamic properties of biological membranes through the use of neutron and x-ray scattering, infrared and Raman spectroscopies, and molecular dynamics simulations. Experimentally detecting unique vibrational patterns such as, shear phonon excitations, viscoelastic crossovers, transverse acoustic phonon gaps, and continuous and truncated optical phonon modes in cellular membranes, to name a few, has proven non-trivial. Here, we review recent advances in liquid thermodynamics that have resulted in the development of the phonon theory of 1 liquids. The theory has important predictions regarding the shear vibrational spectra of fluids, namely the emergence of viscoelastic crossovers and transverse acoustic phonon gaps. Furthermore, we show that these vibrational patterns are common in soft (non-crystalline) materials, including, but not limited to liquids, colloids, liquid crystals (mesogens), block copolymers, and biological membranes. The existence of viscoelastic crossovers and acoustic phonon gaps define the self-diffusion properties of cellular membranes and provide a molecular picture of the transient nature of lipid rafts.1 Importantly, the timescales (picoseconds) for the formation and dissolution of transient lipid rafts match the lifetime of the formation and breakdown of interfacial water hydrogen bonds. Apart from acoustic propagating phonon modes, biological membranes can also support more energetic non-propagating optical phonon excitations, also known as standing waves or breathing modes. Importantly, optical phonons can be truncated due to the existence of finite size nanodomains made up of strongly correlated lipid-cholesterol molecular pairs. These strongly coupled molecular pairs can serve as nucleation centers for the formation of stable rafts at larger length scales, due to correlations of spontaneous fluctuations (Onsager’s regression hypothesis). Finally and importantly, molecular level viscoelastic crossovers, acoustic phonon gaps, and continuous and truncated optical phonon modes may offer insights as to how lipid-lipid and lipid-protein interactions enable biological function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Understanding the effect of salt concentrations on fast charging performance of Li-ion cells

Here, different lithium salt (lithium bis(fluorosulfonyl) imide (LiFSI)/LiPF 6 9/1 mol ratio) concentrations in carbonate electrolyte were studied on the fast charging performance of LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622)/graphite pouch cells. The cells with electrolyte concentration from 0.75 M to 1.50 M showed similar fast charging capabilities. Further increase of the concentration to 1.75 M and 2.00 M decreased the attainable capacity in fast charging. In the long-term cycling test, the capacity retention after 200 fast charging cycles increased with the increase of salt concentration in electrolyte. Cells with 1.5 M electrolyte showed the best overall performance in fast charging capacity and long-term cycling. Li platings were observed in the cells with 0.75 M, 1.00 M and 1.25 M electrolyte. It was improved with greatly reduced Li plating area in 1.50 M, and no Li plating at all in 1.75 M and 2.00 M electrolyte. Post-mortem analysis such as neutron powder diffraction (NPD) and X-ray photoelectron spectroscopy (XPS) were used to characterize the electrode after cycling. It suggests that electrolyte concentration needs to be optimized for a given cell configuration with specific electrode and loading.

25 ENERGY STORAGE↗
DOE OSTI2022

Variable-Temperature Scattering and Spectroscopy Characterizations for Temperature-Dependent Solution Assembly of PffBT4T-Based Conjugated Polymers

The solution structure of conjugated polymers (CPs) from which the films are cast is critical for tailoring the thin-film morphology thus device performance. Here, we used multimodal variable-temperature scattering and spectroscopy tools to fully quantify the solution assembly of poly[(5,6-difluoro-2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3'''-dialkyl-2,2';5',2'';5'',2'''-quaterthiophen-5,5'''-diyl)] (PffBT4T) polymers with varying side-chain lengths at different assembly temperatures. The conformational and aggregation behaviors for PffBT4T-based CPs were found to be very sensitive to both temperature and side chain length using ultraviolet–visible (UV–vis) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, dynamic light scattering (DLS), and small-angle neutron scattering (SANS). We found that with slightly increasing side chain length from 2-octyldodecyl (C8C12) to 2-nonyltridecyl (C9C13), PffBT4T-based CPs show a significant decrease in aggregation-to-dissolved chain transition temperature (10 °C), degree of aggregation, enthalpy change of aggregation, and size of the aggregates in solution. At room temperature, PffBT4T polymer strongly aggregated to form fabric structure with the film thickness of a few nanometers in thickness and hundreds of nanometers in length, as probed by atomic force microscopy (AFM), transmission electronic microscopy (TEM), and dynamic light scattering (DLS). At the elevated temperature above the aggregation-to-dissolved chain transition temperature, PffBT4T is fully dissolved and adopts a semiflexible coil conformation with the persistence length of 3.1 nm for PffBT4T-C8C12 and a slightly increased persistence length of 3.4 nm for PffBT4T-C9C13, according to temperature-dependent SANS measurements. Longer side chains of PffBT4T-C9C13 also lead to less aggregation enthalpy gain compared with PffBT4T-C8C12. This work provides a solution structure manipulating strategy of CPs and thus will inspire the molecular design and processing protocols of CPs toward higher performance electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Actinide Separation Inspired by Self-Assembled Metal–Polyphenolic Nanocages

The separation of actinides has a vital place in nuclear fuel reprocessing, recovery of radionuclides, and remediation of environmental contamination. Here we propose a new paradigm of nanocluster-based actinide separation, namely, nanoextraction, that can achieve efficient sequestration of uranium in an unprecedented form of giant coordination nanocages using a cone-shaped macrocyclic pyrogallol[4]arene as the extractant. The U 24 -based hexameric pyrogallol[4]arene nanocages with distinctive [U 2 (PG) 2 ] binuclear units (PG = pyrogallol) that rapidly assembled in situ in monophasic solvent were identified by single-crystal X-ray diffraction, MALDI-TOF mass spectrometry, NMR spectroscopy, and small-angle X-ray and neutron scattering. Furthermore, comprehensive biphasic extraction studies showed that this novel separation strategy has enticing advantages such as fast kinetics, high efficiency, and good selectivity over lanthanides, thereby demonstrating its potential for efficient separation of actinide ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Fission product yields from the 238 U ( n,f ) reaction at E n = 4.6 MeV

Here, we present cumulative fission product yields from the 238 U (n, f) reaction at an incident energy of 4.6 MeV for fission products with half-lives from less than one second to several hours. We employed direct γ-ray spectroscopy to measure unseparated fission products with a conventional neutron activation analysis and a cyclic activation technique using the RApid Belt-driven Irradiated Target Transfer System (RABITTS). Yields were determined for 78 isotopes and isomers, covering the mass range 84 ≤ A ≤ 148 and the charge range from 33(As) ≤ Z ≤ 58(Ce). Our experimental cumulative yields are compared to the literature and evaluated data at E n ≈0.5 MeV from ENDF/B-VIII.0 and JEFF-3.3 libraries and with theoretical models using the GEF and FREYA codes at E n =4.6 MeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Tuning the spontaneous exchange bias effect in La 1.5 Sr 0.5 CoMnO 6 with sintering temperature

Here, in this study, we present a study of the influence of microstructure on the magnetic properties of polycrystalline samples of the La 1.5 Sr 0.5 CoMnO 6 double perovskite, with primary attention to the spontaneous exchange bias effect, a fascinating recently discovered phenomena for which some materials exhibit unidirectional magnetic anisotropy after being cooled in zero magnetic fields. By sintering La 1.5 Sr 0.5 CoMnO 6 at different temperatures, we obtained samples with distinct average grain sizes, ranging from 1.54-6.65 μm. A detailed investigation of the material's structural, morphologic, electronic, and magnetic properties using x-ray powder diffraction, powder neutron diffraction, x-ray absorption near edge structure spectroscopy, scanning electron microscopy, and ac and dc magnetometry has revealed a systematic enhancement of the exchange bias effect with increasing the average grain size. This evolution is discussed in terms of changes in the material's porosity and grain morphology and its influence on the exchange couplings at the magnetic interfaces.

14 SOLAR ENERGY↗
DOE OSTI2025

Insights into distorted lamellar phases with small-angle scattering and machine learning

Lamellar phases are essential in various soft matter systems, with topological defects significantly influencing their mechanical properties. In this report, we present a machine-learning approach for quantitatively analyzing the structure and dynamics of distorted lamellar phases using scattering techniques. By leveraging the mathematical framework of Kolmogorov–Arnold networks, we demonstrate that the conformations of these distorted phases – expressed as superpositions of complex waves – can be reconstructed from small-angle scattering intensities. Through the contour analysis of wave field phase singularities, we obtain the statistics of the spatial distribution of topological defects. Furthermore, we establish that the temporal evolution of these defects can be derived from the time-dependent traveling wave field, informed by the dispersion relation of spectral components. This method opens new avenues for investigating the dynamics of distorted lamellar phases using various dynamic scattering techniques such as neutron spin echo and X-ray photon correlation spectroscopy. These findings enhance our microscopic understanding of how defects influence the physical properties of lamellar materials, with implications for both equilibrium and non-equilibrium states in general lamellar systems.

36 MATERIALS SCIENCE↗