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At least 163 records · Page 9

Crystal-field states and defect levels in candidate quantum spin ice Ce 2 Hf 2 O 7

Here, we report the synthesis of powder and single-crystal samples of cerium pyrohafnate and their characterization using neutron diffraction, thermogravimetry and x-ray absorption spectroscopy. We evaluate the amount of nonmagnetic Ce 4+ defects and use this result to interpret the spectrum of crystal-electric field transitions observed using inelastic neutron scattering. The analysis of these single-ion transitions indicates the dipole-octupole nature of the ground-state doublet and a significant degree of spin-lattice coupling. The single-ion properties calculated from the crystal-electric field parameters obtained spectroscopically are in good agreement with bulk magnetic susceptibility data down to about 1 K. Below this temperature, the behavior of the magnetic susceptibility indicates a correlated regime without showing any sign of magnetic long-range order or freezing down to 0.08 K. We conclude that Ce 2 Hf 2 O 7 is another candidate to investigate exotic correlated states of quantum matter, such as the octupolar quantum spin ice recently argued to exist in the isostructural compounds Ce 2 Sn 2 O 7 and Ce 2 Zr 2 O 7 .

36 MATERIALS SCIENCE↗

An ultra-fast method for generating synthetic down-scattered neutron data for inertial confinement fusion implosions

In inertial confinement fusion experiments at the National Ignition Facility, asymmetries are probed by a variety of neutron diagnostics, including neutron imaging systems, real-time neutron activation diagnostics (RTNADs), and neutron spectrometers. It is often useful to generate synthetic data based on these diagnostics to validate and tune models. However, current methods of doing so using Monte Carlo particle tracing are time-consuming. In this paper, an ultra-fast method is presented for generating synthetic neutron images, RTNAD data, and spectrometry data using line integrals and 3D convolutions. While it does not contain as much physics as particle tracing codes, it is thousands of times faster and produces nearly identical data. This enables analysis techniques that depend on generating large amounts of synthetic data, which will prove very useful for the study of asymmetries going forward.

Deuterium↗

First Dark Matter Search Results from the LUX-ZEPLIN (LZ) Experiment

The LUX-ZEPLIN experiment is a dark matter detector centered on a dual-phase xenon time projection chamber operating at the Sanford Underground Research Facility in Lead, South Dakota, USA. This Letter reports results from LUX-ZEPLIN's first search for weakly interacting massive particles (WIMPs) with an exposure of 60~live days using a fiducial mass of 5.5 t. A profile-likelihood ratio analysis shows the data to be consistent with a background-only hypothesis, setting new limits on spin-independent WIMP-nucleon, spin-dependent WIMP-neutron, and spin-dependent WIMP-proton cross sections for WIMP masses above 9 GeV/c 2 . The most stringent limit is set for spin-independent scattering at 36 GeV/c 2 , rejecting cross sections above 9.2×10 –48 cm 2 at the 90% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Structural Fluctuations and Thermophysical Properties of Molten II-VI Compounds

The objectives of the project are to conduct ground-based experimental and theoretical research on the structural fluctuations and thermophysical properties of molten II-VI compounds to enhance the basic understanding of the existing flight experiments in microgravity materials science programs as well as to study the fundamental heterophase fluctuation phenomena in these melts by: 1) conducting neutron scattering analysis and measuring quantitatively the relevant thermophysical properties of the II-VI melts (such as viscosity, electrical conductivity, thermal diffusivity and density) as well as the relaxation characteristics of these properties to advance the understanding of the structural properties and the relaxation phenomena in these melts and 2) performing theoretical analyses on the melt systems to interpret the experimental results. All the facilities required for the experimental measurements have been procured, installed and tested. Thermal diffusivity of molten tellurium has been measured by a laser flash method in the temperature range of 500 C to 900 C. The measured diffusivity as a function of temperature agrees fairly well with published data. However, a relaxation phenomenon, which shows a slow drift of the measured thermal conductivity toward the equilibrium value after cooling of the melt, was observed for the first time. An apparatus based on the transient torque induced by a rotating magnetic field has been developed to determine the viscosity and electrical conductivity of semiconducting liquids. Viscosity measurements on molten tellurium showed a similar relaxation behavior to the measured diffusivity. The density and volume expansion coefficients for pure Te and HgTe melts were measured as a function of temperature using a pycnometric method. A density maximum was found for both melts but no relaxation behavior was observed. Neutron scattering experiments were performed on the HgTe and HgZnTe melts and the results on pair distribution showed better resolution than previously reported. A simple kinetic theory, which contains the formation reactions of Te polymerization that increases the molecular weight, was proposed to interpret the relaxation behavior of HgZnTe viscosity data.

Su, Ching-Hua↗

Computers in neutron science

Abstract Neutron scattering provides a sensitive probe for materials structure and dynamics and has had a profound impact on research ranging from quantum topological materials to archaeology to aerospace alloys. These experiments are incredibly data-rich and often challenging to interpret. Computational studies have been integral in the growing success of neutron science. From data collection and reduction to analysis and interpretation, computers are used at every stage of modern neutron experiments. State-of-the-art software allows for a deeper understanding of these powerful unique experiments. This themed issue, guest-edited by Dr. Jeff Armstrong, Dr. Keith T Butler, and Dr. Matthew R Ryder, brings together a collection of research highlighting the state-of-the-art in the application of computers in neutron science.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Efficient Data Management in Neutron Scattering Data Reduction Workflows at ORNL

Oak Ridge National Laboratory (ORNL) experimental neutron science facilities produce 1.2 TB a day of raw event-based data that is stored using the standard metadata-rich NeXus schema built on top of the HDF5 file format. Performance of several data reduction workflows is largely determined by the amount of time spent on the loading and processing algorithms in Mantid, an open-source data analysis framework used across several neutron sciences facilities around the world. The present work introduces new data management algorithms to address identified input output (I/O) bottlenecks on Mantid. First, we introduce an in-memory binary-tree metadata index that resemble NeXus data access patterns to provide a scalable search and extraction mechanism. Second, data encapsulation in Mantid algorithms is optimally redesigned to reduce the total compute and memory runtime footprint associated with metadata I/O reconstruction tasks. Results from this work show speed ups in wall-clock time on ORNL data reduction workflows, ranging from 11% to 30% depending on the complexity of the targeted instrument-specific data. Nevertheless, we highlight the need for more research to address reduction challenges as experimental data volumes increase.

Godoy, William↗

Uncertainty Analysis for a Criticality Benchmark [Slides]

This presentation discusses how KRUSTY was analyzed with LANL’s MCNP neutron transport code, Monte Carlo N-Particle. In the Monte Carlo method, neutrons are born in fission events and fly around the geometry having events (e.g., scatter, capture, fission, escape) according to the natural probabilities. “Natural probabilities” are given as neutron cross sections , which are measured and evaluated nuclear data. One of the goals of the benchmark project is to improve the nuclear cross sections (and the codes that use them). In this work, the response of interest is called k eff , which describes the neutron multiplication in a near critical system. Like most quantities, k eff is not measured directly; it is only inferred. In summation, MCNP results for k eff matched the measurements extremely well. The evaluated uncertainties are asymmetric and smaller than 0.00100 (e.g., + 0.00080 / – 0.00062). The largest uncertainties are due to alignment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Uncertainty Analysis for a Criticality Benchmark [Slides]

This presentation discusses how KRUSTY was analyzed with LANL’s MCNP neutron transport code, Monte Carlo N-Particle. In the Monte Carlo method, neutrons are born in fission events and fly around the geometry having events (e.g., scatter, capture, fission, escape) according to the natural probabilities. “Natural probabilities” are given as neutron cross sections , which are measured and evaluated nuclear data. One of the goals of the benchmark project is to improve the nuclear cross sections (and the codes that use them). In this work, the response of interest is called k eff , which describes the neutron multiplication in a near critical system. Like most quantities, k eff is not measured directly; it is only inferred. In summation, MCNP results for k eff matched the measurements extremely well. The evaluated uncertainties are asymmetric and smaller than 0.00100 (e.g., + 0.00080 / – 0.00062). The largest uncertainties are due to alignment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Simultaneous Development of Antiferromagnetism and Local Symmetry Breaking in a Kagome Magnet (Co 0.45 Fe 0.55 )Sn

CoSn and FeSn, two kagome-lattice metals, have recently attracted significant attention as hosts of electronic flat bands and emergent physical properties. However, current understandings of their physical properties are limited to knowledge of the average crystal structure. Here, we report the Fe-doping induced coemergence of the antiferromagentic (AFM) order and local symmetry breaking in (Co 0.45 Fe 0.55 )Sn. Rietveld analysis on the neutron and synchrotron X-ray diffraction data indicates A-type antiferromagnetic order with the moment pointing perpendicular to the kagome layers, associated with the anomaly in the MSn(1) 2 Sn(2) 4 (M = Co/Fe) octahedral distortion and the lattice constant c. Reverse Monte Carlo (RMC) modeling of the synchrotron X-ray total scattering results captured the subtle local orthorhombic distortion involving off-axis displacements of Sn(2). Our results indicate that the stable hexagonal lattice above T N becomes unstable once the A-type AFM order is formed below T N . Here we argue that the local symmetry breaking has a magnetic origin, since the spatially varied M–Sn(2) bond lengths arise from out-of-plane magnetic exchange coupling J c via the exchange pathway M–Sn(2)–M. Our study provides comprehensive information on the crystal structure in both long-range scale and local scale, unveiling unique coupling between AFM order, octahedral distortion, and hidden local symmetry breaking.

36 MATERIALS SCIENCE↗

Exploring the Neutron Substructure with Advanced Polarized Helium-3 Targets (Or: How I Learned to Stop Worrying and Love Spectroscopy)

As we seek to understand the smallest, physical aspects of our universe, we cannot simply rely on our senses to probe the world around us as we did in the past. The smallest physical elements of our universe behave in strange, probabilistic ways and are completely invisible to the naked eye/ear/etc. So, we design clever experiments (such as scattering experiments) to probe these minute realms. Then, just as with the larger, observable world, we devise models and equations to describe what we think is happening. Due to the nature of the physical universe at the quantum scale and with the aid of symmetries such as Lorentz invariance, we can write down equations that describe the scattering, but the expressions contain functions, which we call ?form factors? and ?structure functions?, that we cannot compute from first principles. We can, however, formulate models that make predictions for these functions. By comparing our predictions with the observed data, we can gain insight into the validity of our models and thus a better physical understanding of what is happening at these minuscule scales. Studying the constituents inside of the nucleus of an atom adds another layer of difficulty if we can?t remove those components from the nucleus. This is the case with the neutron. When not bound in the nucleus with protons and other neutrons, the neutron will decay into a proton after about 15 minutes. So, we?re forced to study the neutron while it is still bound in the nucleus of an atom such as helium-3 (3He). For the last 1,000 years (rounding up), our group has developed high quality, polarized 3He targets made of an aluminosilicate glass. These targets are made in order to perform experiments at Jefferson Lab (JLab), experiments which let us determine the form factors and structure functions of the neutron by scattering polarized electrons from polarized neutrons (or rather polarized 3He). The specific experiments reported on in this thesis push the bounds of our understanding of the internal structure of the neutron. Good science is often about pushing experimental techniques to a new level. Toward that goal we study our polarized 3He targets both to advance the technology and to choose the best ones for our experiments. We do this using a process called nuclear magnetic resonance (NMR) to gauge the maximum polarization of a target and how fast the polarization decays with time. While these tests primarily provide us information that make analysis of our experimental scattering data possible, they also let us determine whether or not a target-cell is useful or even, dare I say, of spectacular quality. Our latest targets utilize a novel convection design allowing 3He to be polarized and quickly moved in front of the electron-beam, making it possible to use larger targets with higher electron-beam currents than ever before. This means more electrons scatter and we get more data. And by studying our targets in detail prior to using them in our experiments, we have found techniques to take effects which could have been detrimental to target quality and turn them to our advantage! It?s a real case of making lemonade out of lemons. We also use laser spectroscopy to study the absorption lines of alkali-metals in the target (potassium and rubidium, specifically). We add these alkali-metals to our target to facilitate polarizing the 3He. We can use the measurement of these pressure broadened absorption lines to determine the 3He density inside of the target with great precision. Historically, we understood the width of these lines would be dependent on the temperature of the target. Specifically, if I raise the temperature, the width should get bigger. I found that was not the case, which was very confusing at first, though very exciting now that I realize the data are self-consistent and suggestive of unexpected behavior. This thesis details the development of high quality, glass, polarized 3He targets for the 2020 An 1 /dn 2 and 2023 Gn E experiments, which utilized the first 3He convection targets and broke records in target quality. This thesis also covers the initial development of metal windows for the next-generation of 3He target-cells. Finally, this thesis documents the temperature dependence of the width of potassium (K) and rubidium (Rb) absorption lines as measured with laser spectroscopy.

Jantzi, Christopher↗

Evolution of short-range magnetic correlations in ferromagnetic Ni-V alloys

Here we experimentally study how the magnetic correlations develop in a binary alloy close to the ferromagnetic quantum critical point with small-angle neutron scattering (SANS). Upon alloying the itinerant ferromagnet nickel with vanadium, the ferromagnetic order is continuously suppressed. The critical temperature T c vanishes when vanadium concentrations reach the critical value of x c =0.116 indicating a quantum critical point separating the ferromagnetic and paramagnetic phases. Earlier magnetization and μ⁢SR data have indicated the presence of magnetic inhomogeneities in Ni 1-x ⁢V x and, in particular, recognize the magnetic clusters close to x c , on the paramagnetic and on the ferromagnetic sides with nontrivial dynamical properties [R. Wang et al., Phys. Rev. Lett. 118, 267202 (2017)]. We present the results of SANS study with full polarization analysis of polycrystalline Ni 1-x⁢ V x samples with x=0.10 and x=0.11 with low critical temperatures T c <50 K. For both Ni-V samples close to x c we find isotropic magnetic short-range correlations on the nanometer scale persisting at low temperatures. They are suppressed gradually in higher magnetic fields. In addition, signatures of long-range ordered magnetic domains are present below T c . The fraction of these magnetic clusters embedded in the ferromagnetic ordered phase grows toward x c and agrees well with the cluster fraction estimate from the magnetization and μ⁢SR data. Our SANS studies provide new insights into the nature of the inhomogeneities in a ferromagnetic alloy close to a quantum critical point.

36 MATERIALS SCIENCE↗

Interpolating individual line-of-sight neutron spectrometer measurements onto the “sky” at the National Ignition Facility (NIF)

Nuclear diagnostics provide measurements of inertial confinement fusion implosions used as metrics of performance for the shot. The interpretation of these measurements for shots with low mode asymmetries requires a way of combining the data to produce a “sky map” where the individual line-of-sight values are used to interpolate to other positions in the sky. These interpolations can provide information regarding the orientation of the low mode asymmetries. We describe the interpolation method, associated uncertainties, and correlations between different metrics, e.g., Tion, down scatter ratio, and hot-spot velocity direction. This work is also related to recently reported studies [H. G. Rinderknecht et al., Phys. Rev. Lett. 124, 145002 (2020) and K. M. Woo et al., Phys. Plasmas 27, 062702 (2020)] of low mode asymmetries. We report an analysis that makes use of a newly commissioned line of sight, a scheme for incorporating multiple neutron spectrum measurement types, and recent work on the sources of implosion asymmetry to provide a more complete picture of implosion performance.

Hartouni, E. P. (ORCID:0000000198694351)↗

PyCrystalField : software for calculation, analysis and fitting of crystal electric field Hamiltonians

PyCrystalField is a Python software package for calculating single-ion crystal electric field (CEF) Hamiltonians. This software can calculate a CEF Hamiltonian ab initio from a point charge model for any transition or rare earth ion in either the J basis or the LS basis, perform symmetry analysis to identify nonzero CEF parameters, calculate the energy spectrum and observables such as neutron spectrum and magnetization, and fit CEF Hamiltonians to any experimental data. Here, the theory, implementation and examples of its use are discussed.

36 MATERIALS SCIENCE↗

Controlling Noncollinear Ferromagnetism in van der Waals Metal–Organic Magnets

Van der Waals (vdW) magnets both allow exploration of fundamental 2D physics and offer a route toward exploiting magnetism in next generation information technology, but vdW magnets with complex, noncollinear spin textures are currently rare. We report here the syntheses, crystal structures, magnetic properties and magnetic ground states of four bulk vdW metal–organic magnets (MOMs): FeCl 2 (pym), FeCl 2 (btd), NiCl 2 (pym), and NiCl 2 (btd), pym = pyrimidine and btd = 2,1,3-benzothiadiazole. Using a combination of neutron diffraction and bulk magnetometry we show that these materials are noncollinear magnets. Although only NiCl 2 (btd) has a ferromagnetic ground state, we demonstrate that low-field hysteretic metamagnetic transitions produce states with net magnetization in zero-field and high coercivities for FeCl 2 (pym) and NiCl 2 (pym). By combining our bulk magnetic data with diffuse scattering analysis and broken-symmetry density-functional calculations, we probe the magnetic superexchange interactions, which when combined with symmetry analysis allow us to suggest design principles for future noncollinear vdW MOMs. These materials, if delaminated, would prove an interesting new family of 2D magnets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Examination of Short- and Long-Range Atomic Order Nanocrystalline SiC and Diamond by Powder Diffraction Methods

The real atomic structure of nanocrystals determines unique, key properties of the materials. Determination of the structure presents a challenge due to inherent limitations of standard powder diffraction techniques when applied to nanocrystals. Alternate methodology of the structural analysis of nanocrystals (several nanometers in size) based on Bragg-like scattering and called the "apparent lattice parameter" (alp) is proposed. Application of the alp methodology to examination of the core-shell model of nanocrystals will be presented. The results of application of the alp method to structural analysis of several nanopowders were complemented by those obtained by determination of the Atomic Pair Distribution Function, PDF. Based on synchrotron and neutron diffraction data measured in a large diffraction vector of up to Q = 25 Angstroms(exp -1), the surface stresses in nanocrystalline diamond and SiC were evaluated.

Palosz, B.↗

Analysis of parton distributions in a pion with Bézier parametrizations

We explore the role of parametrizations for nonperturbative QCD functions in global analyses, with a specific application to extending a phenomenological analysis of the parton distribution functions (PDFs) in the charged pion realized in the xFitter fitting framework. The parametrization dependence of PDFs in our pion fits substantially enlarges the uncertainties from the experimental sources estimated in the previous analyses. We systematically explore the parametrization dependence by employing a novel technique to automate generation of polynomial parametrizations for PDFs that makes use of Bézier curves. This technique is implemented in a ++ module that is included in the xFitter program. Our analysis reveals that the sea and gluon distributions in the pion are not well disentangled, even when considering measurements in leading-neutron deep inelastic scattering. For example, the pion PDF solutions with a vanishing gluon and large quark sea are still experimentally allowed, which elevates the importance of ongoing lattice and nonperturbative QCD calculations, together with the planned pion scattering experiments, for conclusive studies of the pion structure. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Local Seismoacoustic Wavefield of a Research Nuclear Reactor and Its Response to Reactor Power Level

In this article, we describe the seismoacoustic wavefield recorded outdoors but inside the facility fence of the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (Tennessee). HFIR is a research nuclear reactor that generates neutrons for scattering, irradiation research, and isotope production. This reactor operates at a nominal power of 85 MW, with a full-power period between 24 and 26 days. This study uses data from a single seismoacoustic station that operated for 60 days and sampled a full operating reactor cycle, that is, full-power operation and end-of-cycle outage. The analysis presented here is based on identifying signals that characterize the steady, that is, full-power operation and end-of-cycle outage, and transitional, that is, start-up and shutdown, states of the reactor. We found that the overall seismoacoustic energy closely follows the main power cycle of the reactor and identified spectral regions excited by specific reactor operational conditions. In particular, we identified a tonal noise sequence with a fundamental frequency around 21.4 Hz and multiple harmonics that emerge as the reactor reaches 90% of nominal power in both seismic and acoustic channels. We also utilized temperature measurements from the monitoring system of the reactor to suggest links between the operation of reactor’s subsystems and seismoacoustic signals. We demonstrate that seismoacoustic monitoring of an industrial facility can identify and track some industrial processes and detect events related to operations that involve energy transport.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗