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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Neutron Spectroscopy Study on Crystalline Electric Field Excitations in NdB 4

Herein, the f-electron states of NdB 4 were determined by observing crystalline electric field (CEF) excitations in inelastic neutron scattering experiments. The resulting CEF excitation energies were 2.8, 12.4, 17.2, and 25.4 meV. The f-electron states were simply described by one of the J-multiplets |±J z $\rangle$ with negligibly small mixing. The ground state was the pseudoquartet comprising the ground doublet dominated by |±$\frac{5}{2}$$\rangle$ and the first excited doublet dominated by |±$\frac{7}{2}$$\rangle$ at 2.8 meV, consistent with magnetic specific heat and entropy reported in a previous study. In conclusion, the simple f-electron states in NdB 4 were the consequence of the strong uniaxial and in-plane isotropic CEF potential due to the local structure of Nd 3+ with point symmetry C 2v .

36 MATERIALS SCIENCE↗
NASA NTRS1971

Nonelastic nuclear reactions and accompanying gamma radiation

Several aspects of nonelastic nuclear reactions which proceed through the formation of a compound nucleus are dealt with. The full statistical model and the partial statistical model are described and computer programs based on these models are presented along with operating instructions and input and output for sample problems. A theoretical development of the expression for the reaction cross section for the hybrid case which involves a combination of the continuum aspects of the full statistical model with the discrete level aspects of the partial statistical model is presented. Cross sections for level excitation and gamma production by neutron inelastic scattering from the nuclei Al-27, Fe-56, Si-28, and Pb-208 are calculated and compared with avaliable experimental data.

Snow, R.↗
NASA NTRS1973

Expected gamma-ray emission spectra from the lunar surface as a function of chemical composition

The gamma rays emitted from the moon or any similar body carry information on the chemical composition of the surface layer. The elements most easily measured are K, U, Th and major elements such as O, Si, Mg, and Fe. The expected fluxes of gamma ray lines were calculated for four lunar compositions and one chondritic chemistry from a consideration of the important emission mechanisms: natural radioactivity, inelastic scatter, neutron capture, and induced radioactivity. The models used for cosmic ray interactions were those of Reedy and Arnold and Lingenfelter. The areal resolution of the experiment was calculated to be around 70 to 140 km under the conditions of the Apollo 15 and 16 experiments. Finally, a method was described for recovering the chemical information from the observed scintillation spectra obtained in these experiments.

Reedy, R. C.↗
NASA NTRS1973

Expected gamma ray emission spectra from the lunar surface as a function of chemical composition.

The gamma rays emitted from the moon or any similar body carry information on the chemical composition of the surface layer. The elements most easily measured are K, U, Th, and major elements such as O, Si, Mg, and Fe. The expected fluxes of gamma ray lines are calculated for four lunar compositions and one chondritic chemistry from a consideration of the important emission mechanisms: natural radioactivity, inelastic scatter, neutron capture, and induced radioactivity. The models used for cosmic ray interactions are those of Reedy and Arnold (1972) and Lingenfelter et al. (1972). The areal resolution of the experiment is calculated to be around 70-140 km under the conditions of the Apollo 15 and 16 experiments. Finally, a method is described for recovering the chemical information from the observed scintillation spectra obtained in these experiments.

Reedy, R. C.↗
NASA NTRS1990

Dynamics of the iron spins in superconducting YBa2(Cu(1-x)Fe(x))O7

The dynamics of the iron spins in YBa2(Cu(1-x)Fe(x))3O7 alloys (0 = to or less than 0.12) was studied by the means of inelastic neutron scattering. Measurements were performed using the time of flight technique with an excellent resolution of 50 micro eV, in a temperature range of 1.8 to 300 K. The doped samples show an elastic and a quasielastic intensity strongly varying with temperature. A spin glass like freezing is revealed at low temperature by a sudden decrease of the quasielastic intensity, an increase of the elastic or resolution limited intensity and a minimum in the quasielastic width. The freezing temperature corresponds to the one already determinated by a magnetic splitting in Mossbauer experiments. Above freezing, the occurrence of superconductivity slightly modifies the characteristics of the spin relaxation in the paramagnetic state, as shown by measurements in two x = 0.06 samples. In the whole temperature range of measurement, the dependence of the quasielastic intensity with the scattering vector q, mainly reflects the variation of the Iron form factor, which shows that the spins are almost uncorrelated.

Mirebeau, I.↗
NASA NTRS1997

AXAF Detector Backgrounds Produced By Cosmic Ray Protons

One of the science instruments on the Advanced X-ray Astrophysics Facility (AXAF), planned for launch in 1998 into a highly elliptical (10,000 km x 140,000 km) orbit, is a microchannel plate High Resolution Camera (HRC). This detector is designed to provide imaging and spectroscopic observations of x-rays emitted by stellar sources in the 0.1 to 10 keV energy range. Described here are analyses made to determine the expected time-dependent detector background from prompt and delayed (activation) radiation initiated by galactic cosmic-ray (GCR) proton interactions in the spacecraft and payload. Numerical simulations were made using the coupled set of Monte Carlo radiation transport codes, analysis software, and data bases shown. The major codes are HETC for nucleon-meson transport, EGS for simulating electromagnetic cascades, and MORSE for low-energy (less than 15 MeV) neutron transport. The simulation follows the transport history of photons in the energy range from - 100 GeV down to approx. 0.1 keV due to gamma-ray sources from neutral pion decay, high-energy (spallation) collisions, and low-energy neutron inelastic scattering and capture reactions. Also included is radioisotope production and the tracking of gamma-rays, electrons, and positrons from induced radioactivity.

Armstrong, T. W.↗
NASA NTRS1968

The Use of Large Lithium-Drifted, Germanium Diodes for Gamma-Ray Spectral Measurements at Balloon Altitudes

A series of balloon-borne experiments has been initiated at the Oak Ridge National Laboratory (ORNL) in cooperation with the Space Sciences Laboratory of the NASA G. C. Marshall Space Flight Center to determine the feasibility of using large (greater than 20 cc) lithium-drifted, germanium diodes to investigate the spectrum of atmospheric gamma rays (60 keV < E < 1.5 MeV) at altitudes corresponding to a few grams per cm (sup 2) residual atmosphere. The results of these measurements will also provide a basis for designing an appropriate shield for a multi-diode, highly directional gamma-ray spectrometer for use in astrophysical measurements. Two flights were accomplished during 1967 using the same two diodes and basic instrument package. Both flights were launched at the NCAR Scientific Balloon Flight Base, Palestine, Texas, and attained a float altitude of 117, 000 ft. The measured atmospheric gamma-ray spectrum shows at least one distinct line at 511 keV (annihilation radiation) superimposed on a continuous distribution of gamma rays attributable to both energy-degraded gamma rays and brems-strahlung photons. A second diode, encased in a passive shield of plastic and lead, shows the expected lines resulting from both neutron inelastic scattering and capture in the germanium. Data acquisition was accomplished on an event-by-event basis through the use of 512-channel, on-board ADC and word-generator circuits and a ground-based, on-line telemetry decoder. The decoder makes it possible to store the data in the memory of a modified pulse-height analyzer simultaneously with storage on magnetic tape. This provides a real-time visual observation of the data as it is accumulated and greatly facilitates preflight calibrations.

Chapman, G. T.↗
NASA NTRS2000

Innovative Research Program: Supershields for Gamma-Ray Astronomy

The supershield project evaluated the importance of novel shield configurations for suppressing neutron induced background in new classes of gamma-ray detectors such as CZT. The basic concept was to use a two-part shield. The outer shield material heavily moderates the incoming neutron spectrum. This moderated neutron beam is then more easily absorbed by the inner material, which is an efficient neutron absorber. This approach is, in principle, more efficient than that in previous attempts to make neutron shields. These previous attempts involved biatomic, monlithic shields (eg. LiH) in which the shield consisted of a single material but with two types of atoms - one for moderating and one for absorbing. The problem with this type of monolithic shield is that moderating neutrons, without the efficient absorption of them, leads to the leakage into the detector of neutrons with a low energy component (approx. 10-100 KeV). These energy neutrons are particularly problematic for many types of detectors. The project was roughly divided into phases. In the first phase we attempted to carefully define the neutron source function incident on any space instrument. This is essential since the design of any shield depends on the shape of the incident neutron spectrum. We found that approximations commonly used in gamma-ray astronomy for photon background is inadequate. In addition, we found that secondary neutrons produced in any passive shield, and dominated by inelastic neutron scattering, are far more important than background due to neutron activation. The second phase of our work involved design of supershield geometries (one and three dimensional) in order to compare different shield configurations and materials for their effectiveness as neutron shields. Moreover we wanted to compare these supershields with previous neutron shields to confirm the performance differences between the supershield (two material) and monolithic (one material) designs and to understand the physics origins of these differences more clearly. The third phase of the supershield program involved the benchmarking of the supershield designs through direct experimental verification. This required fabricating various supershields and exposing them to beams of neutrons to directly characterize their performance. With explicit verification that our modeling procedures can be used with confidence, we are now in a position to design shields for realistic space geometries. Using the supershield modeling capacity developed as part of this program we are attempting to evaluate their utility for a specific proposed mission--the Energetic X-ray Imaging Survey Telescope (EXIST). It is anticipated that this experiment, which is limited by internal background at high energies, might benefit from a neutron shield.

Hailey, Charles J.↗
DOE OSTI2024

Electron-phonon coupling in M⁢n 1−𝑥 ⁢F⁡e 𝑥⁢ Si

We present a study of the lattice dynamical properties of M⁢n 1−𝑥⁢ F⁡e 𝑥 ⁢Si with 0≤𝑥≤0.22. Employing time-of-flight neutron spectroscopy and inelastic x-ray scattering, we investigate the doping dependence of phonon energies, 𝐸 ph , and linewidths, Γ ph . We find anomalous softening and broadening of a phonon mode propagating along the direction. Ab initio lattice dynamical calculations link this softening to an enhanced electron-phonon coupling due to the doping-dependent changes of the Fermi surface. In conclusion, we discuss an interplay of increased electron-phonon coupling and reduced ordered magnetic moments in M⁢n 1−𝑥⁢ F⁡e 𝑥 ⁢Si.

Density functional theory↗
DOE OSTI2023

Chapter 10.02 - Neutron Scattering Studies of Materials for Hydrogen Storage

Hydrogen storage presents a significant barrier to the widespread adaptation of hydrogen as an energy source in mobile and stationary applications. The development of new candidate hydrogen storage materials is therefore an outstanding goal in the field of inorganic chemistry. Neutron scattering techniques - including diffraction, inelastic, and quasielastic scattering - are integral in investigating these materials. Here, we review some of the key studies of candidate hydrogen storage materials which have employed neutron scattering techniques. We begin with a brief discussion of hydrogen's current position in the global energy landscape. Next, we provide a brief description of the theory and practical aspects of the neutron scattering techniques germane to the study of hydrogen storage. Then we enumerate the neutron scattering studies of candidate hydrogen storage materials, including metal hydrides, chemical hydrides, and porous compounds. We focus on the studies which helped develop our understanding of hydrogen storage by revealing the underlying fundamental physics and chemistry of hydrogen sorption in these systems. Finally, we provide an outlook to the future of hydrogen storage research.

chemical hydrides↗
DOE OSTI2025

Microscopic calculations with noniterative finite amplitude methods and the application to neutron radiative captures and inelastic scatterings

We derive the fully self-consistent quasiparticle random-phase approximation (QRPA) equations with noniterative finite amplitude methods and calculate the transition strengths of giant resonances. Then, we apply the QRPA results to both neutron radiative capture calculations based on the statistical Hauser-Feshbach theory and inelastic scattering calculations based on distorted-wave Born approximation (DWBA). We compare the calculated results with available experimental data and demonstrate how our approach can reproduce giant resonances and various nuclear reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Effective point-charge analysis of crystal fields: Application to rare-earth pyrochlores and tripod kagome magnets 𝑅 ⁢3⁢ Mg⁢ 2 ⁢Sb⁢ 3⁢ O⁢ 14

An indispensable step to understand collective magnetic phenomena in rare-earth compounds is the determination of spatially anisotropic single-ion properties resulting from spin-orbit coupling and crystal field (CF). The CF Hamiltonian has a discrete energy spectrum—accessible to spectroscopic probes such as neutron scattering—controlled by a number of independent parameters reflecting the point symmetry of the magnetic sites. Determining these parameters in low-symmetry systems is often challenging. Here, we describe a general method to analyze CF excitation spectra using adjustable effective point-charges. We benchmark our method to existing neutron-scattering measurements on pyrochlore rare-earth oxides and obtain a universal point-charge model that describes a large family of related materials. We adapt this model to the newly discovered tripod kagome magnets (𝑅 3 ⁢Mg 2 ⁢Sb 3 ⁢O 14 , 𝑅 = Tb, Ho, Er, Yb) for which we report broadband inelastic neutron-scattering spectra. Analysis of these data using adjustable point-charges yields the CF wave functions for each compound. From this, we calculate thermomagnetic properties that accurately reflect our measurements on powder samples and predict the effective gyromagnetic tensor for pseudospin degrees of freedom—a crucial step to understand the exotic collective properties of these kagome magnets at low temperature. We present further applications of our method to other tripod kagome materials and triangular rare-earth compounds 𝑅⁢MgGaO 4 (𝑅 =Yb, Tm). Overall, this study establishes a widely applicable methodology to predict CF and single-ion properties of rare-earth compounds based on interpretable and adjustable models of effective point charges.

Crystal-field theory↗
DOE OSTI2021

Suppressed-moment 2-k order in the canonical frustrated antiferromagnet Gd 2 Ti 2 O 7

In partially ordered magnets, order and disorder coexist in the same magnetic phase, distinct from both spin liquids and spin solids. Here, we determine the nature of partial magnetic ordering in the canonical frustrated antiferromagnet Gd 2 Ti 2 O 7 , in which Gd 3+ spins occupy a pyrochlore lattice. Using single-crystal neutron-diffraction measurements in applied magnetic field, magnetic symmetry analysis, inelastic neutron-scattering measurements, and spin-wave modeling, we show that its low-temperature magnetic structure involves two propagation vectors (2-k structure) with suppressed ordered magnetic moments and enhanced spin-wave fluctuations. Our experimental results are consistent with theoretical predictions of thermal fluctuation-driven order in Gd 2 Ti 2 O 7 , and reveal that inelastic neutron-scattering measurements on powder samples can solve the longstanding problem of distinguishing single-k and multi-k magnetic structures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Collective excitations in the tetravalent lanthanide honeycomb antiferromagnet

Thermomagnetic and inelastic neutron-scattering measurements on Na 2 PrO 3 are reported. This material is an antiferromagnetic honeycomb magnet based on the tetravalent lanthanide Pr 4+ and has been proposed to host dominant antiferromagnetic Kitaev interactions. These measurements reveal magnetic fluctuations in Na 2 PrO 3 below an energy of 2 meV as well as crystal-field excitations around 230 meV. Furthermore, the latter energy is comparable to the scale of the spin-orbit interaction and explains both the very small effective moment of around 1.0μB per Pr 4+ and the difficulty to uncover any static magnetic scattering below the ordering transition at T N = 4.6 K. By comparing the low-energy magnetic excitations in Na 2 PrO 3 to those of the isostructural spin-only compound, Na 2 TbO 3 , a microscopic model of exchange interactions is developed that implicates dominant and surprisingly large Heisenberg exchange interactions J≈1.1(1) meV. Although antiferromagnetic Kitaev interactions with K≤0.2J cannot be excluded, the inelastic neutron-scattering data of Na 2 PrO 3 is best explained with a Δ=1.22 easy-axis XXZ exchange anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Emergent spin-1 Haldane gap and ferroelectricity in a frustrated spin- 1 2 ladder

We report experimental and theoretical evidence that Rb 2 Cu 2 Mo 3 O 12 has a nonmagnetic tetramer ground state of a two-leg ladder comprising antiferromagnetically coupled frustrated spin-12 chains and exhibits a Haldane spin gap of emergent spin-1 pairs. Three spin excitations split from the spin-1 triplet by a Dzyaloshinskii-Moriya interaction are identified in inelastic neutron-scattering and electron spin resonance spectra. A tiny magnetic field generates ferroelectricity without closing the spin gap, indicating a unique class of ferroelectricity induced by a vector spin chirality order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Spin dynamics in the itinerant antiferromagnet SrCr 2 ⁢As 2

SrCr 2 ⁢As 2 is an itinerant antiferromagnet in the same structural family as the SrFe 2 ⁢As 2 high-temperature superconductors. Here, we report our calculations of exchange-coupling parameters 𝐽 𝑖⁢𝑗 for SrCr 2 ⁢As 2 using a static linear-response method based on first-principles electronic-structure calculations. We find that the dominant nearest-neighbor exchange coupling 𝐽 1 >0 is antiferromagnetic whereas the next-nearest-neighbor exchange coupling 𝐽 2 <0 is ferromagnetic with 𝐽 2 /𝐽 1 = −0.68, reinforcing the checkerboard in-plane magnetic structure. Thus, unlike other transition-metal arsenides based on Mn, Fe, or Co, we find no competing magnetic interactions in SrCr 2 ⁢As 2 , which aligns with experimental findings. Moreover, the orbital resolution of exchange interactions shows that 𝐽 1 and 𝐽 2 are dominated by direct exchange mediated by the Cr 𝑑 orbitals. To validate the calculations we conduct inelastic neutron-scattering measurements on powder samples that show steeply dispersive magnetic excitations arising from the magnetic Γ points and persisting up to energies of at least 175 meV. The spin-wave spectra are then modeled using the Heisenberg Hamiltonian with the theoretically calculated exchange couplings. In conclusion, the calculated neutron-scattering spectra are in good agreement with the experimental data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗