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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Helimagnetism in CrBr 2 and CrIBr

In Cr⁢𝑋 2 (𝑋 = Br, I), a Jahn-Teller effect distorts the octahedral configuration of the anions about Cr, resulting in a ribbon chain structure. We previously observed helimagnetism in CrI 2 propagating along the ribbon chains, with an 80–90° rotation per Cr ion. Via neutron scattering, we report that CrBr 2 and the solid solution CrIBr are also helimagnetic, with Néel temperatures of 17 and 12 K, respectively, and signs of intermediate magnetic transitions in both compounds. The helical angle between spins on consecutive Cr ions along the ribbon chains increases with increasing Br substitution, from 89.7° (CrI 2 ) to 116° (CrIBr) to 147° (CrBr 2 ), possibly as a result of decreasing longer-range intrachain spin interactions with the increased electron localization of the lighter anions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Stellarator Design Exploration Using Symbolic-Regression Neutronics Surrogates

Systems codes require fast, simplified models to rapidly evaluate fusion power plant concepts, but neutronics analyses are often a computational bottleneck. Here, to address this, surrogate models for key neutronics responses have been developed using 3-D neutronics-ready models built with the open-source code ParaStell from a database of stellarator equilibria. Neutronics responses such as tritium breeding ratio (TBR), nuclear heating, and neutron-induced radiation damage displacements per atom (dpa) were simulated using OpenMC. Through sensitivity analysis and symbolic regression (SR), simple power-law formulas were derived connecting these neutronics responses to global stellarator parameters, including fusion power, plasma surface area, and plasma elongation. Validation shows these formulas can predict the simulation results with low error, enabling quick and accurate assessment of neutronics requirements in stellarator design exploration activities with systems codes.

Modeling↗
DOE OSTI2020

Summary of changes to the ENDF library [Slides]

This presentation discusses the major revisions that the TSL sublibrary is undergoing. It also discusses mass(ive) sublibrary changes, charged particle evaluations, INDEN evaluations, and the non-INDEN neutron sublibrary. The presentation concludes by stating that there are conflicts that need to be resolved and that they have enough contributions that the executive committee feels that an ENDF/B-VIII.1 release is warranted by February 2023.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Measurement of the 239 Pu(n,f)/ 235 U(n,f) Cross-Section Ratio with the NIFFTE fission Time Projection Chamber

In this work, the 239 Pu(n,f)/ 235 U(n,f) cross-section ratio has been measured with the fission Time Projection Chamber (fissionTPC) from 100 keV to 100 MeV. The fissionTPC provides three-dimensional reconstruction of fission-fragment ionization profiles, allowing for a precise quantification of measurement uncertainties. The measurement was performed at the Los Alamos Neutron Science Center which provides a pulsed white source of neutrons. The data are recommended to be used as a cross-section ratio shape. A discussion of the status of the absolute normalization and comparisons to ENDF evaluations and previous measurements is included.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Neutron Pulsed Die-Away Experiments at LLNL [Slides]

This presentation discusses why PNDA is ideal for TSL validations as it does not require fissile material, it has very simple target shapes and compositions, it is only sensitive to absorption and scattering of target medium, and that well conducted experiments have uncertainties of 0.1% - 0.5%. The presentation concludes by examining PNDA’s advantages and its role in nuclear data validations as it offers a cost-effective experiment for an integral benchmark, it provides the ability to focus on specific cross section data validation including thermal neutron absorption and thermal scattering laws, and the low experimental uncertainty makes it an excellent benchmark candidate. Additionally, it is easily tunable and can facilitate temperature dependent cross section validation by cooling or heating up targets.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Development and testing of a fission-like neutron field for dosimetry and instrument calibrations based on deuterium-tritium generator

For nearly five decades 252 Cf sources have been used for testing and calibration over a wide range of neutron detection devices used for nuclear safety and radiation protection. However, the vastly increased cost of 252 Cf sources, its short half-life, and concerns about future shortage have prompted nuclear facilities and radiological calibration laboratories that rely on high-intensity neutron sources to seek alternatives. There appear to be no other radionuclide neutron sources that would match “like-to-like” 252 Cf performance characteristics. Alternatives of producing a fission-like neutron spectrum based on commercially available deuterium-tritium (D-T) generators, and without any fissionable materials or beryllium, have been explored. This paper describes efforts of designing the spectrum shaping assembly, its construction and installation. The produced neutron field was evaluated both from the perspective of the neutron fluence spectrum and the resulting dosimetric outcome. Finally, it was tested for practical application by examining response of various health physics instruments and personal monitoring devices in comparison to the response of those devices when exposed to 252 Cf. In conclusion, the response of survey-type instruments tested within the prototype, surrogate fission, reference field are acceptably close to their response in the targeted 252 Cf field.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Probing physics beyond the standard model: limits from BBN and the CMB independently and combined

We present new Big Bang Nucleosynthesis (BBN) limits on the cosmic expansion rate or relativistic energy density, quantified via the number N ν of equivalent neutrino species. We use the latest light element observations, neutron mean lifetime, and update our evaluation for the nuclear rates d + d → 3 He + n and d + d → 3 H+p. Combining this result with the independent constraints from the cosmic microwave background (CMB) yields tight limits on new physics that perturbs N ν and η prior to cosmic nucleosynthesis: a joint BBN+CMB analysis gives N ν = 2.898 ± 0.141, resulting in N ν < 3.180 at 2σ. We apply these limits to a wide variety of new physics scenarios including right-handed neutrinos, dark radiation, and a stochastic gravitational wave background. The strength of the independent BBN and CMB constraints now opens a new window: we can search for limits on potential changes in N ν and/or the baryon-to-photon ratio η between the two epochs. The present data place strong constraints on the allowed changes in N ν between BBN and CMB decoupling; for example, we find -0.708 < N ν CMB - N ν BBN < 0.328 in the case where η and the primordial helium mass fraction Yp are unchanged between the two epochs; we also give limits on the allowed variations in η or in (η, N ν ) jointly. We discuss scenarios in which such changes could occur, and show that BBN+CMB results combine to place important constraints on some early dark energy models to explain the H 0 tension. Looking to the future, we forecast the tightened precision for N ν arising from both CMB Stage 4 measurements as well as improvements in astronomical 4 He measurements. Here, we find that CMB-S4 combined with present BBN and light element observation precision can give σ(N ν ) ≃ 0.03. Such future precision would reveal the expected effect of neutrino heating (N eff -3 = 0.044) of the CMB during BBN, and would be near the level to reveal any particle species ever in thermal equilibrium with the standard model. Improved Y p measurements can push this precision even further.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Giant Doping Response of Magnetic Anisotropy in MnTe

Developing simple ways to control spin states in spintronic devices is a crucial step towards increasing their functionality. MnTe is a room-temperature antiferromagnet with promising spintronic properties, including for thermospintronics and magnon-based devices. Here, we show that, in MnTe, less than 1% Li is sufficient to produce a dramatic spin reorientation as observed by neutron diffraction. The behavior of the 0001 magnetic Bragg peak reveals a significant reorientation of the Mn spins from planar in the pure material to almost completely axial with minimal Li doping. Temperature dependence of the magnetic peaks in Li-doped samples indicates that axial spins shift back to planar suddenly upon approaching the Néel temperature (T N = 307 K). Density functional theory calculations support the idea that a shift in the Fermi level caused by doping is responsible for switching the material between two competing magnetic ground states. These results pave the way for developing easy switching of magnetic states in functional materials such as spintronic devices and topological insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2022

SCALE 6.2.4 Validation: Nuclear Criticality Safety

The computational bias of criticality safety computer codes must be established through the validation of the codes to critical experiments. A large collection of suitable experiments has been vetted by the International Criticality Safety Benchmark Evaluation Project (ICSBEP) and made available in the International Handbook of Evaluated Criticality Safety Benchmark Experiments (ICSBEP Handbook). More than 600 cases from this handbook have been prepared and reviewed within the Verified, Archived Library of Inputs and Data (VALID), which is maintained by the Reactor and Nuclear Systems Division at Oak Ridge National Laboratory. The performance of the KENO V.a and KENO-VI Monte Carlo codes within the SCALE 6.2.4 code system is assessed using the VALID models of benchmark experiments. A range of nuclear cross section libraries based on Evaluated Nuclear Data File (ENDF)/B-VII.1 in both multigroup (MG) and continuous energy (CE) formats is considered. The critical experiments available to validate the KENO V.a code cover 15 broad categories of systems. These systems use a range of fissile materials, including a range of uranium enrichments, various plutonium isotopic vectors, and some mixed uranium/plutonium oxides. The physical forms of the fissile material also vary and are represented as metal, solutions, or arrays of rods or plates in a water moderator. The neutron energy spectra of the systems also vary and cover fast, intermediate, mixed, and thermal spectra. Over 550 of the total cases use the KENO V.a code for the four nuclear data libraries considered in this report.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Overview of H- radio frequency ion sources for particle accelerators

Particle accelerators are among the most important scientific tools of the modern era. Large accelerator complexes have supported scientific user facilities which have had an enormous societal impact spanning many decades and enabling the work of thousands of scientific users worldwide contributing to many Nobel prizes in physics, biology and chemistry [1]. Many of the large hadron facilities employ accelerator complexes which include cyclotrons, synchrotrons, storage rings, linear or tandem accelerators and deliver ion beams of very high-intensity and/or very high-energy to their user facilities. These accelerator complexes require the injection of high-intensity beams of ions which are produced within an ion source and formed within a plasma or by bombardment of a surface [2]. Increasingly, RF systems are being utilized, to generate these ion-rich plasmas due to their high reliability and minimal use of consumable components. This report will first discuss the basic mechanisms of ion formation and plasma generation as well as some specifics of RF/microwave generators, matching circuits and plasma coupling structures typically employed. A detailed discussion will then be given of the RF-driven negative ion source systems employed by US Spallation Neutron Source as well as those used in similar facilities located around the globe. REFERENCES [1]Vladimir Shiltsev, “Particle beams behind physics discoveries”, Physics Today 73, Issue 4, 32 (2020) [2]Robert Welton et al, “Negative hydrogen ion sources for particle accelerators: Sustainability issues and recent improvements in long-term operations”, Journal of Physics Conf Series, 2244 012045

Welton, Robert F.↗
DOE OSTI2022

Insights into the possible existence of a soft dipole mode in He 8

With an extreme neutron-to-proton ratio of N/Z = 3, 8 He provides an ideal laboratory for the study of a variety of exotic phenomena, such as the emergence of a soft dipole mode that is dominated by transitions into the continuum. In this contribution, a covariant density-functional theory (DFT) framework is used to compute ground-state properties and the dipole response of 8 He. Although 8 He is admittedly too light for DFT to be applicable, the great merit of the approach is that the spurious contamination associated with the center-of-mass motion is guaranteed to decouple from the physical response. Given that a strong mixing between the isoscalar and isovector dipole modes is expected for a system with such a large neutron-proton asymmetry as 8 He, the narrow structures that emerged at low energies in the isovector dipole response are attributed to the shift of the spurious strength to zero (or near zero) excitation energy. Furthermore, the theoretical framework implemented here disfavors the emergence of a soft dipole mode in 8 He.

6 ≤ A ≤ 19↗
DOE OSTI2022

Update on NNL TSL Validation Efforts [Slides]

A new sub-thermal neutron transmission capability at RPI LINAC has been used to validate Be (metal). NNL transmission measurements validated NCSU Be and Be+Sd TSLs for ENDF/B-VIII.1 and showed improvements WRT ENDF/B-VII.1 and ENDF/B-VIII.0. Amplitude differences highlighted the importance of sample characterization. Additional measurement is in progress for CY2022. PNDA is being developed as an alternative to critical experiment validation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Competing Magnetic Interactions and the Role of Unpaired 4 f Electrons in Oxygen-Deficient Perovskites Ba 3 R Fe 2 O 7.5 ( R = Y, Dy)

Oxygen-deficient perovskite compounds with the general formula Ba 3 RFe 2 O 7.5 present a good opportunity to study competing magnetic interactions between Fe 3+ 3d cations with and without the involvement of unpaired 4f electrons on R 3+ cations. From analysis of neutron powder diffraction data, complemented by ab initio density functional theory calculations, we determined the magnetic ground states when R 3+ = Y 3+ (non-magnetic) and Dy 3+ (4f 9 ). They both adopt complex long-range ordered antiferromagnetic structures below T N = 6.6 and 14.5 K, respectively, with the same magnetic space group C a 2/c (BNS #15.91). However, the dominant influence of f-electron magnetism is clear in temperature dependence and differences between the size of the ordered moments on the two crystallographically independent Fe sites, one of which is enhanced by R–O–Fe superexchange in the Dy compound, while the other is frustrated by it. We report the Dy compound also shows evidence for temperature- and field-dependent transitions with hysteresis, indicating a field-induced ferromagnetic component below TN.

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

Spin wave Hamiltonian and anomalous scattering in NiPS 3

Here, we report a comprehensive spin wave analysis of the semiconducting honeycomb van der Waal antiferromagnet NiPS 3 . Using single-crystal inelastic neutron scattering, we map out the full Brillouin zone and fit the observed modes to a spin wave model with rigorously defined uncertainty. We find that the third-nearest-neighbor exchange J 3 dominates the Hamiltonian, a feature which we fully account for by ab initio density functional theory calculations. We also quantify the degree to which the threefold rotation symmetry is broken and account for the Q = 0 excitations observed in other measurements, yielding a spin exchange model which is consistent across multiple experimental probes. We also identify a strongly reduced static ordered moment and reduced low-energy intensity relative to the linear spin wave calculations, signaling unexplained features in the magnetism which requires going beyond the linear spin wave approximation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Elucidating proximity magnetism through polarized neutron reflectometry and machine learning

Polarized neutron reflectometry is a powerful technique to interrogate the structures of multilayered magnetic materials with depth sensitivity and nanometer resolution. However, reflectometry profiles often inhabit a complicated objective function landscape using traditional fitting methods, posing a significant challenge for parameter retrieval. In this work, we develop a data-driven framework to recover the sample parameters from polarized neutron reflectometry data with minimal user intervention. We train a variational autoencoder to map reflectometry profiles with moderate experimental noise to an interpretable, low-dimensional space from which sample parameters can be extracted with high resolution. We apply our method to recover the scattering length density profiles of the topological insulator–ferromagnetic insulator heterostructure Bi2Se3/EuS exhibiting proximity magnetism in good agreement with the results of conventional fitting. We further analyze a more challenging reflectometry profile of the topological insulator–antiferromagnet heterostructure (Bi,Sb)2Te3/Cr2O3 and identify possible interfacial proximity magnetism in this material. We anticipate that the framework developed here can be applied to resolve hidden interfacial phenomena in a broad range of layered systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Physics analysis and design of heavy water reflected thermal test reactor

Here, this work investigates the option of modifying the Advanced Test Reactor by replacing the current beryllium reflector with heavy water. Such a change may provide some potential benefits for not only increasing the thermal irradiation capabilities but also resolving other problems such as reflector integrity issues due to fast fluence damage, which is always a limiting factor in the lifetime of the current beryllium reflector. This paper presents the analysis and estimation of the ATR core physics parameters by replacing the current beryllium reflector with heavy water (D 2 O). The paper first describes the details of two selected conceptual designs, which are partially reflected with either beryllium or graphite, and how they are derived from the baseline beryllium reflector concept. Then, reactor physics performance parameters for the two new concepts are assessed by comparing with those of the baseline concept. The performance parameters considered in this paper include in-pile tube neutron and gamma fluxes and heating rates, maximum loop voiding reactivity, core power behavior with different power splits, predicted cycle length with a given fuel loading, and thermal hydraulic analysis with a higher lobe power split. It is important to note that this study focuses on the reactor physics aspects and does not delve into the engineering challenges associated with such a design modification.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Bond valence sum analysis of pyrochlore oxides including the novel dielectric Te 6+ pyrochlores: A Bi M TeO 7-y ( A = Cd, Ca; M = Cr, Ga, Sc, In, Fe)

Bond valence sum analysis is a powerful tool used in evaluating and validating crystal structures; especially when those structures are complex in nature. The pyrochlore structure type is versatile in not only the unique bonding that it exhibits, but also in the properties that results from the structure. Here this paper aims to center the discussion of evaluating the pyrochlore structure using the bond valence sum method. In this study, novel quaternary pyrochlores with a general stoichiometry of ABiMTeO 7 (A = Cd, Ca; M = Cr, Ga, Sc, In, Fe) were synthesized and characterized for their structural, magnetic, and dielectric properties. Two representative compounds within this series of pyrochlores, BiCaFeTeO7 and BiCdFeTeO 7 , were structurally characterized utilizing a combination of high-resolution synchrotron X-ray diffraction and neutron diffraction revealing oxygen deficient pyrochlore systems which were off from the expected stoichiometry with respect to the M site. The A site of both pyrochlores were found to be moved off-center from the expected 16d site to the 96h displaced position at a magnitude of 0.25 Å and 0.22 Å for the Bi/Ca and Bi/Cd systems, respectively. These structures were evaluated using the bond valence sum method and compared with trends in the literature. The properties are also reported for the Bi/Ca system for the first time, showing relatively high dielectric constants with a low dielectric loss which are primarily independent of frequency and temperature. The magnetic measurements for the Bi/Ca system for the magnetic substitutions reveal a paramagnet and antiferromagnetic properties for the Fe and Cr analogs, respectively. The novel BiCaMTeO 7 quaternary pyrochlore system shows great promise as an emerging dielectric material.

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

Magnetic field induced phase transition in spinel GeNi 2 O 4

Cubic spinel GeNi 2 O 4 exhibits intriguing magnetic properties with two successive antiferromagnetic phase transitions (T N1 ≈ 12.1 and T N2 ≈ 11.4 K) with the absence of any structural transition. We have performed detailed heat capacity and magnetic measurements in different crystallographic orientations. A new magnetic phase in presence of magnetic field (H ≥ 4 T) along the [111] direction is revealed, which is not observed when the magnetic field is applied along the [100] and [110] directions. High field neutron powder diffraction measurements confirm such a change in magnetic phase, which could be ascribed to a spin reorientation in the presence of magnetic field. In conclusion, a strong magnetic anisotropy and competing magnetic interactions play a crucial role on the complex magnetic behavior in this cubic system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗