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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The contribution of Compton ionization to ultrafast x-ray scattering

We investigate the role of Compton ionization in ultrafast non-resonant x-ray scattering using a molecular model system, which includes the ionization continuum via an orthonormalized plane wave ansatz. Elastic and inelastic components of the scattering signal, as well as coherent-mixed scattering that arises from electron dynamics, are calculated. By virtue of a near-quantitative distinction between scattering related to electronic transitions into bound and continuum states, we demonstrate how Compton ionization contributes to the coherent-mixed component. Analogous to inelastic scattering, the contribution to the coherent-mixed signal is significant and particularly manifests at intermediate and high-momentum transfers. Strikingly, for molecules with inversion symmetry, the exclusion of bound or continuum transitions may lead to the prediction of spurious coherent-mixed signals. We conclude that qualitative and quantitative accuracies of predicted scattering signals on detectors without energy resolution require that elements of the two-electron density operator are used. This approach inherently accounts for all accessible electronic transitions, including ionization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Generation of the Thermal Scattering Law of Uranium Dioxide with Ab Initio Lattice Dynamics to Capture Crystal Binding Effects on Neutron Interactions

Scattering of thermal neutrons and Doppler broadening of epithermal neutron resonances in uranium and its compounds may be sensitive to crystal binding. The thermal scattering law (TSL) for uranium dioxide, which captures crystal binding effects, has been reevaluated for ENDF/B-VIII.0. Phonon spectra were generated using ab initio lattice dynamics for the paramagnetic phase and validated against experiment. Improved agreement with the Debye-Waller coefficient as a function of temperature is found relative to the spectrum used for the ENDF/B-VII.1 evaluation. The TSL was generated using the phonon expansion method within the NJOY nuclear data processing package and was found to be in reasonable agreement with inelastic neutron scattering measurements. The present evaluation predicts a reduction in the inelastic scattering cross section relative to ENDF/B-VII.1 and a total scattering cross section consistent with neutron transmission experiments

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Magnetic fluctuations and the spin–orbit interaction in Mott insulating CoO

Motivated by the presence of an unquenched orbital angular momentum in CoO, a team at Chalk River, including a recently hired research officer Roger Cowley, performed the first inelastic neutron scattering experiments on the classic Mott insulator. Despite identifying two magnon modes at the zone boundary, the team was unable to parameterise the low energy magnetic excitation spectrum below TN using conventional pseudo-bosonic approaches, instead achieving only qualitative agreement. It would not be for another 40 years that Roger, now at Oxford and motivated by the discovery of the high-Tc cuprate superconductors, would make another attempt at the parameterisation of the magnetic excitation spectrum that had previously alluded him at the start of his career. Upon his return to CoO, Roger found a system embroiled in controversy, with some of its most fundamental parameters still remaining undetermined. Faced with such a formidable task, Roger performed a series of inelastic neutron scattering experiments in the early 2010s on both CoO and a magnetically dilute structural analogue Mg 0.97 Co 0.03 O. These experiments would prove instrumental in the determination of both single-ion and cooperative magnetic parameters for CoO. Both these sets of parameters would eventually be used in a spin–orbit exciton model, developed by his longtime friend and collaborator Bill Buyers, to successfully parameterise the complex spectrum that both measured at Chalk River almost 50 years prior. The story of CoO is of one that has come full circle, one filled with both spectacular failures and intermittent, yet profound, little victories.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Noncoplanar ferrimagnetism and local crystalline-electric-field anisotropy in the quasicrystal approximant Au 70 Si 17 Tb 13

Neutron scattering experiments have been performed to elucidate magnetic properties of the quasicrystal approximant Au 70 Si 17 Tb 13 , consisting of icosahedral spin clusters in a body-centered-cubic lattice. Bulk magnetic measurements performed on the single crystalline sample unambiguously confirm long-range ordering at T C = 11.6 ± 1 K. In contrast to the simple ferromagnetic response in the bulk measurements, single crystal neutron diffraction confirms a formation of intriguing non-collinear and non-coplanar magnetic order. The magnetic moment direction was found to be nearly tangential to the icosahedral cluster surface in the local mirror plane, which is quite similar to that recently found in the antiferromagnetic quasicrystal approximant Au 72 Al 14 Tb 14 . Inelastic neutron scattering on the powdered sample exhibits a very broad peak centered at hω ≃ 4 meV. The observed inelastic spectrum was explained by the crystalline-electric-field model taking account of the chemical disorder at the fractional Au/Si sites. The resulting averaged anisotropy axis for the crystalline-electric-field ground state is consistent with the ordered moment direction determined in the magnetic structure analysis, confirming that the non-coplanar magnetic order is stabilized by the local uniaxial anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetic structure, excitations and short-range order in honeycomb Na 2 Ni 2 TeO 6

Na 2 Ni 2 TeO 6 has a layered hexagonal structure with a honeycomb lattice constituted by Ni 2+ and a chiral charge distribution of Na + that resides between the Ni layers. In the present work, the antiferromagnetic transition temperature of Na 2 Ni 2 TeO 6 is confirmed at TN˜ 27 K, and further, it is found to be robust up to 8 T magnetic field and 1.2 GPa external pressure; and, without any frequency-dependence. Slight deviations from nominal Na-content (up to 5%) does not seem to influence the magnetic transition temperature, TN. Isothermal magnetization curves remain almost linear up to 13 T. Our analysis of neutron diffraction data shows that the magnetic structure of Na 2 Ni 2 TeO 6 is faithfully described by a model consisting of two phases described by the commensurate wave vectors vec kc, (0.5 0 0) and (0.5 0 0.5), with an additional short-range order component incorporated in to the latter phase. Consequently, a zig-zag long-range ordered magnetic phase of Ni 2+ results in the compound, mixed with a short-range ordered phase, which is supported by our specific heat data. Theoretical computations based on density functional theory (DFT) predict predominantly in-plane magnetic exchange interactions that conform to a J1-J2-J3 model with a strong J3 term. The computationally predicted parameters lead to a reliable estimate for TN and the experimentally observed zig-zag magnetic structure. A spin wave excitation in Na 2 Ni 2 TeO 6 at E ˜ 5 meV at T = 5 K is mapped out through inelastic neutron scattering experiments, which is reproduced by linear spin wave theory calculations using the J values from our computations. Our specific heat data and inelastic neutron scattering data strongly indicate the presence of short-range spin correlations, at T > TN, stemming from incipient antiferromagnetic clusters.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Non-magnetic ion site disorder effects on the quantum magnetism of a spin-1/2 equilateral triangular lattice antiferromagnet

Here, with the motivation to study how non-magnetic ion site disorder affects the quantum magnetism of Ba 3 CoSb 2 O 9 , a spin-1/2 equilateral triangular lattice antiferromagnet, we performed DC and AC susceptibility, specific heat, elastic and inelastic neutron scattering measurements on single crystalline samples of Ba 2.87 Sr 0.13 CoSb 2 O 9 with Sr doping on non-magnetic Ba 2+ ion sites. The results show that Ba 2.87 Sr 0.13 CoSb 2 O 9 exhibits (i) a two-step magnetic transition at 2.7 K and 3.3 K, respectively; (ii) a possible canted 120 degree spin structure at zero field with reduced ordered moment as 1.24 μ B /Co; (iii) a series of spin state transitions for both H∥ab-plane and H∥c-axis. For H∥ab-plane, the magnetization plateau feature related to the up–up–down phase is significantly suppressed; (iv) an inelastic neutron scattering spectrum with only one gapped mode at zero field, which splits to one gapless and one gapped mode at 9 T. All these features are distinctly different from those observed for the parent compound Ba 3 CoSb 2 O 9 , which demonstrates that the non-magnetic ion site disorder (the Sr doping) plays a complex role on the magnetic properties beyond the conventionally expected randomization of the exchange interactions. We propose the additional effects including the enhancement of quantum spin fluctuations and introduction of a possible spatial anisotropy through the local structural distortions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Structure and magnetism of the triangular lattice material YbBO 3

Abstract YbBO 3 is a member of the orthoborate family of materials which contains a triangular arrangement of Yb 3+ ions. Here we study the physical properties of YbBO 3 with neutron diffraction, inelastic neutron scattering, specific heat, and ac susceptibility measurements. The neutron diffraction measurements confirm that our samples of YbBO 3 crystallize in the monoclinic space group C 2 / c (#15) which contains two crystallographically distinct Yb 3+ sites decorating a slightly distorted triangular lattice. Heat capacity and ac susceptibility measurements indicate a potential transition to magnetic order at 0.4 K. In agreement with these observations, neutron diffraction measurements at 0.044 K observe magnetic Bragg peaks which can be indexed by a propagation vector of (0 0 1). Although determining a unique spin configuration corresponding to the observed magnetic Bragg peaks is not possible, model refinements indicate that the ordered moments are likely in the range of 0.4–0.9 μ B and, notably, require moments on both Yb sites. In addition to the magnetic Bragg peaks, diffuse scattering at low Q is observed indicating that the transition does not correspond to complete long range magnetic order. The two-site picture for YbBO 3 is further evidenced by the number of crystal field excitations observed by inelastic neutron scattering measurements. Together these results show that YbBO 3 is a two-site triangular lattice material with signatures of long-range order as well as shorter ranged spin correlations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

High-pressure studies with x-rays using diamond anvil cells

Pressure profoundly alters all states of matter. The symbiotic development of ultrahigh-pressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; and synchrotron x-ray techniques, to probe materials' properties in situ, has enabled the exploration of rich high-pressure (HP) science. In this article, we first introduce the essential concept of diamond anvil cell technology, together with recent developments and its integration with other extreme environments. We then provide an overview of the latest developments in HP synchrotron techniques, their applications, and current problems, followed by a discussion of HP scientific studies using x-rays in the key multidisciplinary fields. These HP studies include: HP x-ray emission spectroscopy, which provides information on the filled electronic states of HP samples; HP x-ray Raman spectroscopy, which probes the HP chemical bonding changes of light elements; HP electronic inelastic x-ray scattering spectroscopy, which accesses high energy electronic phenomena, including electronic band structure, Fermi surface, excitons, plasmons, and their dispersions; HP resonant inelastic x-ray scattering spectroscopy, which probes shallow core excitations, multiplet structures, and spin-resolved electronic structure; HP nuclear resonant x-ray spectroscopy, which provides phonon densities of state and time-resolved Mössbauer information; HP x-ray imaging, which provides information on hierarchical structures, dynamic processes, and internal strains; HP x-ray diffraction, which determines the fundamental structures and densities of single-crystal, polycrystalline, nanocrystalline, and non-crystalline materials; and HP radial x-ray diffraction, which yields deviatoric, elastic and rheological information. Integrating these tools with hydrostatic or uniaxial pressure media, laser and resistive heating, and cryogenic cooling, has enabled investigations of the structural, vibrational, electronic, and magnetic properties of materials over a wide range of pressure-temperature conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Selected topics in diffraction with protons and nuclei: past, present, and future

Here, we review a broad range of phenomena in diffraction in the context of hadron–hadron, hadron–nucleus collisions and deep inelastic lepton–proton/nucleus scattering focusing on the interplay between the perturbative QCD and non-perturbative models. We discuss inclusive diffraction in DIS, phenomenology of dipole models, resummation and parton saturation at low x , hard diffractive production of vector mesons, inelastic diffraction in hadron–hadron scattering, formalism of color fluctuations, inclusive coherent and incoherent diffraction as well as soft and hard diffraction phenomena in hadron–hadron/nucleus and photon–nucleus collisions. For each topic we review key results from the past and present experiments including HERA and the LHC. Finally, we identify the remaining open questions, which could be addressed in the continuing experiments, in particular in photon-induced reactions at the LHC and the future electron–ion collider in the US, large hadron electron collider and future circular collider at CERN.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Self-scattering for Dark Matter with an excited state

Self-interacting dark matter scenarios have recently attracted much attention, as a possible means to alleviate the tension between N-body simulations and observations of the dark matter distribution on galactic and sub-galactic scales. The presence of internal structure for the dark matter—for example, a nearly-degenerate state in the spectrum that could decay, or be collisionally excited or de-excited—has also been proposed as a possible means to address these discrepancies. Such internal structure can be a source of interesting signatures in direct and indirect dark matter searches, for example providing a novel explanation for the 3.5 keV line recently observed in galaxies and galaxy clusters. We analyze a simple model of dark matter self-scattering including a nearly-degenerate excited state, and develop an accurate analytic approximation for the elastic and inelastic s-wave cross sections, which is valid outside the perturbative regime provided the particle velocity is sufficiently low (this condition is also required for the s-wave to dominate over higher partial waves). We anticipate our results will be useful in incorporating inelastic self-scattering into N-body simulations, in order to study the quantitative impact of nearly-degenerate states in the dark matter spectrum on galactic structure and dynamics, and in computing the indirect signatures of multi-state dark matter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Inverted dipole feature in directional detection of exothermic dark matter

Directional dark matter detection attempts to measure the direction of motion of nuclei recoiling after having interacted with dark matter particles in the halo of our Galaxy. Due to Earth's motion with respect to the Galaxy, the dark matter flux is concentrated around a preferential direction. An anisotropy in the recoil direction rate is expected as an unmistakable signature of dark matter. The average nuclear recoil direction is expected to coincide with the average direction of dark matter particles arriving to Earth. Herein we point out that for a particular type of dark matter, inelastic exothermic dark matter, the mean recoil direction as well as a secondary feature, a ring of maximum recoil rate around the mean recoil direction, could instead be opposite to the average dark matter arrival direction. Hence, the detection of an average nuclear recoil direction opposite to the usually expected direction would constitute a spectacular experimental confirmation of this type of dark matter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Asymmetric thermal-relic dark matter: Sommerfeld-enhanced freeze-out, annihilation signals and unitarity bounds

Dark matter that possesses a particle-antiparticle asymmetry and has thermalised in the early universe, requires a larger annihilation cross-section compared to symmetric dark matter, in order to deplete the dark antiparticles and account for the observed dark matter density. The annihilation cross-section determines the residual symmetric component of dark matter, which may give rise to annihilation signals during CMB and inside haloes today. We consider dark matter with long-range interactions, in particular dark matter coupled to a light vector or scalar force mediator. We compute the couplings required to attain a final antiparticle-to-particle ratio after the thermal freeze-out of the annihilation processes in the early universe, and then estimate the late-time annihilation signals. We show that, due to the Sommerfeld enhancement, highly asymmetric dark matter with long-range interactions can have a significant annihilation rate, potentially larger than symmetric dark matter of the same mass with contact interactions. We discuss caveats in this estimation, relating to the formation of stable bound states. Finally, we consider the non-relativistic partial-wave unitarity bound on the inelastic cross-section, we discuss why it can be realised only by long-range interactions, and showcase the importance of higher partial waves in this regime of large inelasticity. We derive upper bounds on the mass of symmetric and asymmetric thermal-relic dark matter for s -wave and p -wave annihilation, and exhibit how these bounds strengthen as the dark asymmetry increases.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Polarized neutron scattering on HYSPEC: the HYbrid SPECtrometer at SNS

Here, we describe some of the first polarized neutron scattering measurements performed at HYSPEC [1-4] spectrometer at the Spallation Neutron Source, Oak Ridge National Laboratory. Furthermore, we discuss details of the instrument setup and the experimental procedures in the mode with full polarization analysis. Examples of polarized neutron diffraction and polarized inelastic neutron data obtained on single crystal samples are presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

The potential of a TeV-scale muon-ion collider

We propose the development of a novel muon-proton and muon-nucleus collider facility at the TeV scale that is capable of performing precision deep inelastic scattering measurements in new regimes and providing a rich program in nuclear and particle physics. Such a facility could seed, or leverage, the development of a muon-antimuon collider and make use of the existing hadron accelerator infrastructure when sited at a facility such as Brookhaven National Laboratory, Fermilab, or CERN. Here, we discuss the possible energy and luminosity design parameters for several collider configurations, and illustrate the science potential with several studies on deep inelastic scattering kinematics, Higgs and vector boson production, top quark production, and beyond Standard Model leptoquark production. Detector design considerations and a possible road map toward development are also given.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Laboratory investigation of hydraulic fracturing in granitic rocks using active and passive seismic monitoring

SUMMARY Knowledge of the fracturing processes can be important for the optimization of pressurized fluid injection operations in the deep underground rock mass. Active and passive seismic monitoring techniques have been used in the field for tracking or mapping the propagating hydraulic fracture. Although both these monitoring techniques provide valuable information about the generated fracture network, it is difficult for either technique to comprehensibly identify the different processes associated with hydraulic fracturing. The combined active and passive monitoring has the potential for better characterization of the complex hydraulic fracturing phenomena. In this study, laboratory hydraulic fracturing experiments with combined active and passive seismic monitoring were conducted on true triaxially loaded Barre granite cubes with different fluid injection rates. The seismic inelastic fracturing was detected by 16 passive acoustic emission sensors, where 3678 and 2370 seismic source events were detected for the high and low injection rate experiments, respectively. For active monitoring, strong variations in the attributes of signals were observed which were transmitted through four source–receiver pairs, placed both perpendicular and parallel to the generated hydraulic fracture. Positive velocity changes were observed for active sensor pairs with ray paths passing through the generated hydraulic fracture indicating fluid permeation, whereas isolated dry deformation was characterized by a slight but permanent velocity decrease. Compared to velocity, the energy of the active signals was 1–2 orders of magnitude more sensitive to different hydraulic fracturing processes. However, the sensitivity and signatures of the active signal attributes were found to be dependent on the frequency range and direction of ray path with respect to the location of the generated fracture network. Using the coupled evaluation of the active and passive signals we were able to systematically identify various hydraulic fracturing processes including: (1) aseismic deformation, (2) fracture initiation and fluid permeation, (3) pressure build-up, (4) fracture propagation and (5) pressure release and leak-off. The results of this study showed that combining the respective advantages of active and passive seismic techniques and using both of them to monitor the failure processes can facilitate a more comprehensive understanding and better control of the hydraulic stimulations in subsurface operations.

Geochemistry & Geophysics↗
DOE OSTI2018

Ultrafast dynamics of spin and orbital correlations in quantum materials: an energy- and momentum-resolved perspective

Many remarkable properties of quantum materials emerge from states with intricate coupling between the charge, spin and orbital degrees of freedom. Ultrafast photo-excitations of these materials hold great promise for understanding and controlling the properties of these states. Here we introduce time-resolved resonant inelastic X-ray scattering (tr-RIXS) as a means of measuring the charge, spin and orbital excitations out of equilibrium. These excitations encode the correlations and interactions that determine the detailed properties of the states generated. After outlining the basic principles and instrumentation of tr-RIXS, we review our first observations of transient antiferromagnetic correlations in quasi two dimensions in a photo-excited Mott insulator and present possible future routes of this fast-developing technique. The increasing number of X-ray free electron laser facilities not only enables tackling long-standing fundamental scientific problems, but also promises to unleash novel inelastic X-ray scattering spectroscopies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Thermodynamic origin of the pressure-induced Invar effect: General criterion and experimental study of Fe 68 ⁢Pd 32

Synchrotron X-ray diffraction measurements were performed on 57 Fe 68 Pd 32 at multiple pressures and two temperatures in a diamond-anvil cell. Between 4 and 11GPa, the thermal expansion was zero or slightly negative. This pressure-induced Invar effect was studied further with 57 Fe nuclear forward scattering and nuclear resonant inelastic X-ray scattering to obtain information on the pressure-induced changes in both the magnetization and the phonon density of states. Magnetic entropy and phonon entropy were obtained from these results, the latter with additional measurements from inelastic neutron scattering to account for the contributions from Pd atoms. The dependencies of these entropies on pressure gave the magnetic and phonon contributions to thermal expansion. These canceled in the region of pressure-induced Invar behavior, even though they individually increased by more than a factor of 2 below the Curie pressure. The behavior of phonons gives evidence for spin-phonon interactions in Fe 68 Pd 32 . A general explanation of the pressure-induced Invar effect is presented, showing that Invar behavior is typically expected at a pressure P* below a magnetic transition at pressure PC. The difference in pressure P C − P* scales with the fractional reduction in magnetic exchange interaction divided by the average Gr¨uneisen parameter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Distinct effect of Kondo physics on crystal field splitting in electron and spin spectroscopies

Magnetic anisotropy is a key feature of rare earth materials from permanent magnets to heavy fermions. Here we explore the complex interplay of Kondo physics and anisotropy, and their effect on different experimental probes of magnetic anisotropy in a minimal 𝐽=3/2 Anderson impurity model using the numerical renormalization group. While anisotropy suppresses Kondo screening, virtual valence fluctuations enhance the anisotropy. We find distinct renormalization of the magnetic anisotropy measured via dynamical spin response (inelastic neutron scattering) versus electronic excitations in the impurity spectral function (resonant inelastic x-ray and scanning tunneling spectroscopy). The two measurement types have different responses and dependencies on the temperature and Kondo scales.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗