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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Unbound spectra of neutron-rich oxygen isotopes predicted by the Gamow shell model

The Gamow shell model has shown to efficiently describe weakly bound and unbound nuclear systems, as internucleon correlations and continuum coupling are both taken into account in this model. In the present work, we study neutron-dripline oxygen isotopes. It is hereby demonstrated that the presence of continuum coupling is important for the description of oxygen isotopes at dripline, and especially to assess the eventual bound or unbound character of 28 O. Our results suggest that the ground state of 28 O is weakly unbound and is similar to the narrow resonant 26 O ground state. Predictions of weakly bound and resonance excited states in 24–26 O are also provided. The asymptotes of the studied many-body states are analyzed via one-body densities, whereby the different radial properties of well bound, loosely bound, resonance states are clearly depicted.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Elastic moduli of high-density, sintered monoliths of yttrium dihydride

Yttrium dihydride has been considered as potential nuclear reactor moderator for micro-reactors operating in the thermal energy spectrum due to their ability to retain hydrogen to high temperatures while having a relatively low impact on neutron economy. Despite these advantages, it is difficult to prepare yttrium dihydride in high-density, near net-shape monoliths for moderator applications due to volume expansion upon hydriding and the pyrophoric nature of the material. In this work, high-density monoliths of yttrium dihydride were prepared by direct hydriding and using powder metallurgical methods. Resonant ultrasound spectroscopy was used to measure the elastic moduli of the sintered monoliths, while nanoindentation was used to determine the Young’s modulus and hardness of the directly-hydrided yttrium and the sintered monoliths. Single crystal elastic constants and related properties of yttrium dihydride were also determined using density functional theory (DFT) for comparison. We report mechanical properties of materials produced by both methods were observed to be consistent with the values from literature for yttrium dihydride. Due to the novelty of producing yttrium dihydride by powder metallurgy, this result indicated that the monoliths produced by powder metallurgy were of high quality. To that end, powder metallurgy is believed to be a viable method for large-scale production of yttrium dihydride monoliths for nuclear reactor moderator applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Sample spinning to mitigate polarization artifact and interstitial-vacancy imbalance in ion-beam irradiation

Accelerator-based ion-beam irradiation has been widely used to mimic the effects of neutron radiation damage in nuclear reactors. However, ion radiation is most often monodisperse in the incoming ions’ momentum direction, leading to excessive polarization in defect distribution, while the scattering under neutron irradiation is often more isotropic and has less radiation-induced polarization. Mitigation of the excess-polarization as well as the damage non-uniformity artifact might be crucial for making the simulation of neutron radiation by ion-beam radiation more realistic. In this work, a general radiation polarization theory in treating radiation as external polar stimuli is established to understand the natural material responses in different contexts, and the possibility to correct the defect polarization artifact in ion-beam irradiation. Inspired by Magic Angle Spinning in Nuclear Magnetic Resonance, we present a precise sample spinning strategy to reduce the point-defect imbalance effect in ion-beam irradiation. It can be seen that with optimized surface inclination angle and the axis of sample rotation, the vacancy-interstitial population imbalance, as well as the damage profile non-uniformity in a designated region in the target are both reduced. It is estimated that sample spinning frequency on the order of kHz should be sufficient to scramble the ion momentum monodispersity for commonly taken ion fluxes and dose rates, which is experimentally feasible.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Point defects in Ga 2 O 3

In the field of high-power electronics, gallium oxide (Ga 2 O 3 ) is attracting attention due to its wide band gap and ability to be doped n-type. Point defects, including vacancies, impurities, and dopants, play important roles in optimizing device performance. This tutorial discusses the fundamental properties of point defects in monoclinic β-Ga 2 O 3 and the methods employed to study them. Oxygen vacancies are deep donors that do not cause n-type conductivity but may compensate acceptors. Gallium vacancies are deep acceptors that can be partially passivated by hydrogen. Substitutional magnesium is a promising acceptor that produces semi-insulating material and also forms a complex with hydrogen. Calcium and iron also have deep acceptor levels. Iridium deep donors are introduced into crystals grown from a melt in an Ir crucible. Here, other defects are introduced by irradiation with energetic particles such as neutrons or protons. In addition to altering the electronic properties, defects give rise to UV/visible emission bands in photoluminescence and cathodoluminescence spectra.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Halo Nuclei from Ab Initio Nuclear Theory

A realistic description of halo nuclei, characterized by low-lying breakup thresholds, requires a proper treatment of continuum effects. We have developed an ab initio approach, the No-Core Shell Model with Continuum (NCSMC), capable of describing both bound and unbound states in light nuclei in a unified way. With chiral two- and three-nucleon interactions as the only input, we can predict the structure and dynamics of halo and other light nuclei and, by comparing to available experimental data, test the quality of chiral nuclear forces. We review NCSMC calculations of weakly bound states and resonances of the exotic halo nuclei 6He, 8B, 11Be, and 15C. For the latter, we discuss its production in the capture reaction 14C(n,𝛾 )15C. We highlight the challenges of a description of 6He as a Borromean n-n-4He system. Finally, we present our calculations of excited states in 10Be exhibiting a one-neutron halo structure and a large scale No-Core Shell Model investigation of 11Li as a precursor of a full n-n-9Li NCSMC study.

Navrátil, Petr↗
DOE OSTI2020

Octupolar versus Néel Order in Cubic 5d 2 Double Perovskites

We report time-of-flight neutron spectroscopy and neutron and x-ray diffraction studies of the 5 d 2 double perovskite magnets, Ba 2 M OsO 6 ( M = Zn , Mg , Ca ). We find that these materials host antiferromagnetically coupled 5 d 2 Os 6 + ions decorating a face-centered cubic (fcc) lattice and are found to remain cubic down to the lowest temperatures. They all exhibit thermodynamic anomalies consistent with a single phase transition at a temperature T * , and a gapped magnetic excitation spectrum with spectral weight concentrated at wave vectors typical of type-I antiferromagnetic orders. However, while muon spin resonance experiments show clear evidence for time-reversal symmetry breaking below T * , we observe no corresponding magnetic Bragg scattering signal. These results are shown to be consistent with ferro-octupolar symmetry breaking below T * , and are discussed in the context of other 5 d double perovskite magnets and theories of exotic orders driven by multipolar interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Zr 3 Mn 3 Sn 4 Ga: A new hetero-kagome bilayer antiferromagnet

Here, we report the magnetic and electrical transport properties of single-crystalline Zr 3 Mn 3 Sn 4 Ga, featuring two distinct kagome lattices: a non-magnetic breathing Zr 3 Sn 4 lattice and a magnetic intact Mn 3 Ga lattice. The material undergoes an antiferromagnetic phase transition at T N = 87 K, with neutron diffraction confirming commensurate ordering characterized by k = (1/3,1/3,0). Transport measurements show metallic behavior, a resistivity anomaly near T N , and 12% magnetoresistance at 2 K under 9 T. Deviations from the conventional second-order power law, along with negative magnetoresistance and nonlinear Hall slope variations near T N , suggest strong magneto-electronic coupling. Resonant photoemission spectroscopy identifies Zr 4d and Mn 3d orbitals as dominant contributors to the valence band, linking the material’s unique electronic properties to its kagome layers. Zr 3 Mn 3 Sn 4 Ga offers a valuable platform to study interactions between magnetism and topological electronic bands in hetero-kagome systems using the co- existence of magnetic and non-magnetic kagome layers and its tunable electronic structure.

Crystal structure↗
DOE OSTI2023

Fast Neutron Evaluations for Advanced Lead Systems [Slides]

This presentation touches on fast neutron evaluations for advanced lead systems. This lecture covers project goals to evaluate lead (Pb) isotopes with a focus on improving predictive capabilities of fast systems. Additionally, the project sets out to benchmark available critical and shielding experiments with sensitivity to Pb and utilize RPI Quasi-Differential Scattering experiment for scattering reactions. This project will perform Resolved Resonance Region (RRR) and fast region evaluations for natural Pb isotopes with differential data on EXchange FORmat for experimental numerical nuclear reaction data (EXFOR) and ultimately will submit evaluations to the ENDF/B-VIII.1 library.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

Bulk viscosity from Urca processes: n p e μ matter in the neutrino-transparent regime

We study the bulk viscosity of moderately hot and dense, neutrino-transparent relativistic npeμ matter arising from weak-interaction direct Urca processes. This work parallels our recent study of the bulk viscosity of npeμ matter with a trapped neutrino component. The nuclear matter is modeled in a relativistic density functional approach with two different parametrizations—DDME2 (which does not allow for the low-temperature direct-Urca process at any density) and NL3 (which allows for low-temperature direct-Urca process above a low-density threshold). Here, we compute the equilibration rates of Urca processes of neutron decay and lepton capture, as well as the rate of the muon decay, and find that the muon decay process is subdominant to the Urca processes at temperatures T ≥ 3 MeV in the case of DDME2 model and T ≥ 1 MeV in the case of NL3 model. Thus, the Urca-process-driven bulk viscosity is computed with the assumption that pure leptonic reactions are frozen. As a result the electronic and muonic Urca channels contribute to the bulk viscosity independently and at certain densities the bulk viscosity of npeμ matter shows a double-peak structure as a function of temperature instead of the standard one-peak (resonant) form. In the final step, we estimate the damping timescales of density oscillations by the bulk viscosity. We find that, e.g., at a typical oscillation frequency f = 1~kHz, the damping of oscillation is most efficient at temperatures 3 ≤ T ≤ 5~MeV and densities n B ≤ 2n 0 where they can affect the evolution of the post-merger object.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Complete field-induced spectral response of the spin-1/2 triangular-lattice antiferromagnet CsYbSe 2

Fifty years after Anderson’s resonating valence-bond proposal, the spin-1/2 triangular-lattice Heisenberg antiferromagnet (TLHAF) remains the ultimate platform to explore highly entangled quantum spin states in proximity to magnetic order. Yb-based delafossites are ideal candidate TLHAF materials, which allow experimental access to the full range of applied in-plane magnetic fields. We perform a systematic neutron scattering study of CsYbSe 2 , first proving the Heisenberg character of the interactions and quantifying the second-neighbor coupling. We then measure the complex evolution of the excitation spectrum, finding extensive continuum features near the 120°-ordered state, throughout the 1/3-magnetization plateau and beyond this up to saturation. We perform cylinder matrix-product-state (MPS) calculations to obtain an unbiased numerical benchmark for the TLHAF and spectacular agreement with the experimental spectra. The measured and calculated longitudinal spectral functions reflect the role of multi-magnon bound and scattering states. These results provide valuable insight into unconventional field-induced spin excitations in frustrated quantum materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Thermal cross section measurements at the RPI LINAC [Abstract]

Recently, a cold moderator was designed and developed for use at the RPI LINAC. This cold moderator proved to easily and safely couple to an existing neutron producing target, while enhancing neutron flux below 0.02 eV by cooling polyethylene down to 29 K. This cold moderator capability allowed for significantly improved counting statistics below 0.02 eV not previously possible due to a poor signal to background ratio. Additionally, testing was performed to characterize the energy resolution of the new cold moderator system and found the system easily capable of resolving resonances in Ta-181 at 4 and 10 eV, while also clearly resolving the Bragg edges found in Be metal below 0.01 eV. Following the design and development of a cold polyethylene moderator, a series of thermal total cross section measurements were performed for polyethylene, polystyrene, Plexiglas and yttrium hydride in the thermal region. These measurements serve to help validate thermal scattering law (TSL) evaluations in the 0.0006 – 20 eV energy range. For polyethylene and polystyrene, two sets of experiments were performed – one with the Enhanced Thermal Target (ETT) and another with the ETT plus the new cold moderator capability (ETTC). The yttrium hydride and Plexiglas measurements were only performed with the ETTC. The measurements for polyethylene help to validate the data processing methodology when using the ETTC, while extending the measured range of polyethylene down to 0.0007 eV. Two different Plexiglas, Plexiglas G and Plexiglas G-UVT, and two different concentrations of yttrium hydride, H/Y = 1.85 and 1.68, were measured. Overall, all materials had generally good agreement with their ENDF/B-VIII.0 TSL evaluations, though some discrepancies were noticed. In the case of the yttrium hydride, the high energy oscillations in the hydrogen cross section and the low energy Bragg edges in the yttrium cross section were clearly seen. These measurements represent the first total cross section measurements that encompass the entire thermal region from 0.0006 – 3 eV for polystyrene and yttrium hydride.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Nature of Magnetic Excitations in the High-Field Phase of α–RuCl 3

We present comprehensive electron spin resonance (ESR) studies of in-plane oriented single crystals of α–RuCl 3 , a quasi-two-dimensional material with honeycomb structure, focusing on its high-field spin dynamics. The measurements were performed in magnetic fields up to 16 T, applied along the [110] and [100] directions. Several ESR modes were detected. Combining our findings with recent inelastic neutron- and Raman-scattering data, we identified most of the observed excitations. Most importantly, we show that the low-temperature ESR response beyond the boundary of the magnetically ordered region is dominated by single- and two-particle processes with magnons as elementary excitations. In conclusion, the peculiarities of the excitation spectrum in the vicinity of the critical field are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Improvement and Verification of Online Cross Section Generation Capability of Griffin for TRISO-fueled Reactors

Griffin, a MOOSE-based reactor multiphysics code jointly developed by Idaho National Laboratory and Argonne National Laboratory under the DOE Office of Nuclear Energy’s NEAMS program, has pursued the development of an online multigroup cross section generation capability for a few years to enable high-fidelity, problem-dependent neutronics analyses of advanced thermal reactors. Recent advancements in Griffin’s online multigroup cross section generation capability have significantly improved the accuracy, robustness, and efficiency of self-shielding calculations for both prismatic and pebble-bed TRISO-fueled reactor applications. Key developments include a unified fuel self-shielding method applicable to both TRISO and annular compact/spherical shell fuel zone geometries; an advanced Dancoff Category-based Equivalence Theory using a bell function for non-fuel resonance treatment, achieving more than an order-of-magnitude speedup compared to the Tone method; an on-the-fly multigroup equivalence approach to mitigate group condensation errors; and a streaming correction method for pebble-bed homogenization. A proof-of-concept demonstration of on-the-fly group condensation with consistent P0 transport correction was also achieved. The method reproduced direct fine-group solutions with excellent accuracy (eigenvalue errors within 10 pcm and pin-power differences within 0.5%), but due to performance limitations of the current fixed-source solver, improvements to solver efficiency will be addressed in future work. Verification tests were performed on graphite-moderated TRISO-fueled two-dimensional core benchmark problems representing gas-cooled microreactors, heat pipe-cooled microreactors, gas-cooled pebble-bed reactors, and fluoride salt-cooled high-temperature reactors. Across all cases, Griffin showed excellent agreement with Serpent2 continuous energy Monte Carlo solutions: eigenvalue errors within 200 pcm, pin-power root-mean-square errors within 2%, and control rod and drum worth errors less than 2%. It should be noted that, for the benchmark problem, cross section generation contributed less than 3% of the total simulation times. These results demonstrate that Griffin’s online cross section generation capability delivers accurate and efficient reactor physics solutions across a wide spectrum of TRISO-fueled advanced reactor designs. With further improvements to the fine-group fixed-source solver and planned extensions to depletion, transients, and coupled neutron–gamma transport, Griffin will be well-positioned to become a powerful and comprehensive tool for advanced reactor analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Copper Clusters Containing Hydrides in Trigonal Pyramidal Geometry

Structurally precise copper hydrides [Cu 11 H 2 {S 2 P(O i Pr) 2 } 6 (C≡CR) 3 ], R = Ph (1), C 6 H 4 F (2), and C 6 H 4 OMe (3), were first synthesized from the polyhydrido copper cluster [Cu 20 H 11 {S 2 P(O i Pr) 2 } 9 ] with nine equivalents of terminal alkynes. Later, their isolated yields were significantly improved by direct synthesis from [Cu(CH 3 CN) 4 ](PF 6 ), [NH 4 ][S 2 P(O i Pr) 2 ], NaBH 4 , and alkynes along with NEt 3 in THF. 1, 2, and 3 were fully characterized by single-crystal X-ray diffraction, ESI-MS, and multinuclear NMR spectroscopy. All three clustershave 11 copper atoms, adopting 3,3,4,4,4-pentacapped trigonal prismatic geometry, with two hydrides inside the Cu 11 cage, the position of which was ascertained by a single-crystal neutron diffraction structure of cluster 1 co-crystallized with a [Cu 7 (H){S 2 P(O i Pr) 2 } 6 ] (4) cluster. Six dithiophosphate and three alkynyl ligands stabilize the Cu 11 H 2 core in which the two hydrides adopt a trigonal pyramidal coordination mode. This coordination mode is so far unprecedented for hydride. The 1 H NMR resonance frequency of the two hydrides appears at 4.8 ppm, a value further confirmed by 2 H NMR spectroscopy for their deuteride derivatives [Cu 11 (D) 2 {S 2 P(O i Pr) 2 } 6 (C≡CR) 3 ]. A DFT investigation allows understanding the bonding within this new type of copper(I) hydrides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Cyclotron resonant scattering in the spectra of gamma-ray bursts

Fits of theoretical spectra from Monte Carlo radiation-transfer calculations to dips at approximately 20 and 40 keV in a spectrum of the gamma-ray burst source GB 880 205 give best-fit values and 68 percent-confidence intervals for the magnetic field of (1.71 + or - 0.07) x 10 to the 12th G, the electron density of (1.2 + or - 0.6) x 10 to the 21st electrons/cm-squared, and the cosine of the viewing angle relative to the field of 0.31 + or - 0.05. The dips observed at approximately 20 keV in the spectra are interpreted as cyclotron resonant scattering, in which electrons undergo radiative 0 to 1 to 0 Landau transitions initiated by photons near the first harmonic. Physical self-consistency fixes the temperature, and the equilibrium temperature equals 5.3 + 0.3 or - 0.2 keV. These results suggest that this gamma-ray burst and many others which exhibit a low-energy dip originate from strongly magnetic neutron stars and are galactic in origin.

Wang, J. C. L.↗
DOE OSTI2020

Chiral three-nucleon force and continuum for dripline nuclei and beyond

Three-nucleon force and continuum play important roles in reproducing the properties of atomic nuclei around driplines. Therefore it is valuable to build up a theoretical framework where both effects can be taken into account to solve the nuclear Schrödinger equation. To this end, in this letter, we have expressed the chiral three-nucleon force within the continuum Berggren representation, so that bound, resonant and continuum states can be treated on an equal footing in the complex-momentum space. To reduce the model dimension and computational cost, the three-nucleon force is truncated at the normal-ordered two-body level and limited in the sd-shell model space, with the residual three-body term being neglected. We choose neutron-rich oxygen isotopes as the test ground because they have been well studied experimentally, with the neutron dripline determined. The calculations have been carried out within the Gamow shell model. The quality of our results in reproducing the properties of oxygen isotopes around the neutron dripline shows the relevance of the interplay between three-nucleon force and the coupling to continuum states. We also analyze the role played by the chiral three-nucleon force, by dissecting the contributions of the 2π exchange, 1π exchange and contact terms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Impact of nuclear reactor radiation on the performance of AlN/sapphire surface acoustic wave devices

The performance of an AlN/sapphire surface acoustic wave (SAW) delay line device was characterized in real time under irradiation inside a nuclear reactor. Both its resonant frequency and transmission efficiency were observed to respond to a change in reactor power. The response follows an exponentially saturating behavior after a step power increase, followed by an exponentially decaying recovery after reactor shutdown. A sensitivity analysis based on the governing electro-mechanical equations shows that the frequency shift can be attributed to the softening of sapphire’s elastic constants under neutron radiation. Additionally, a kinetic rate equation is adopted to interpret device response and describe its microstructural evolution. These results suggest that the AlN/sapphire SAW device remains functional under irradiation, is sensitive to neutron and gamma ray fluxes, and offers an opportunity for remote sensing and in-situ measurement of material properties when exposed to nuclear reactor environment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗