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At least 613 records · Page 34

Evaluation of δ-Phase ZrH1.4 to ZrH1.7 Thermal Neutron Scattering Laws Using Ab Initio Molecular Dynamics Simulations

Zirconium hydride is commonly used for next-generation reactor designs due to its excellent hydrogen retention capacity at temperatures below 1000 K. These types of reactors operate at thermal neutron energies and require accurate representation of thermal scattering laws (TSLs) to optimize moderator performance and evaluate the safety indicators for reactor design. In this work, we present an atomic-scale representation of sub-stoichiometric ZrH2−x(0.3≤x≤0.6), which relies on ab initio molecular dynamics (AIMD) in tandem with velocity auto-correlation (VAC) analysis to generate phonon density of states (DOS) for TSL development. The novel NJOY+NCrystal tool, developed by the European Spallation Source community, was utilized to generate the TSL formulations in the A Compact ENDF (ACE) format for its utility in neutron transport software. First, stoichiometric zirconium hydride cross sections were benchmarked with experiments. Then sub-stoichiometric zirconium hydride TSLs were developed. Significant deviations were observed between the new δ-phase ZrH2−x TSLs and the TSLs in the current ENDF release. It was also observed that varying the hydrogen vacancy defect concentration and sites did not cause as significant a change in the TSLs (e.g., ZrH1.4 vs. ZrH1.7) as was caused by the lattice transformation from ϵ- to δ-phase.

42 ENGINEERING↗

Transition regime droplet growth and evaporation - An integrodifferential variational approach

A variational principle based on the integrodifferential form of the Boltzmann equation, which allows very general forms of the collision integral and of the boundary operator, has been used to compute the mass flux to a spherical particle. For simplicity the problem has been restricted to the one-speed, constant cross-section approximation, the black sphere problem of neutron transport theory. Using the Hilbert expansion of the solution far from the sphere as a trial function leads to a rational expression in the inverse Knudsen number for the extrapolation distance, which is simply related to the number flux to the sphere. A five-term expansion gives results that are no more than 6 percent in error when compared to an accurate numerical solution. The technique can be applied to other forms of the collision model and other boundary conditions.

Cipolla, J. W., Jr.↗

Assessment of Modeling and Nuclear Data Needs for Active Neutron Interrogation

This document is the primary deliverable for a scoping study proposed to DOE National Laboratory Announcement Number LAB 19-2114 in the NNSA research area. The study supports user applications employing active neutron interrogation by providing a science plan to improve the modeling capability and the nuclear data that radiation transport codes use. Users rely on the accuracy of the elastic scattering and non-elastic cross-sections spanning thermal energies to 14 MeV (and higher in some cases) for modeling the neutron transport through complex geometries of materials potentially composed of many elements. While the elastic scattering cross-section data are accepted for all commonly occurring elements, the non-elastic cross-section data and the associated emission data include reaction channels that require attention. The study focused on the non-elastic reactions that emit secondary, also known as prompt, gammas with the premise that many users would benefit from improved modeling of these reactions. Many users develop material assay technologies based upon gamma signatures from radiative capture, inelastic scattering, and reactions on low-Z isotopes emitting multiple particles, so the nuclear data gaps, modeling deficiencies, and recommendations for addressing the shortfalls were assessed for these reactions. Fission gammas were excluded from this study because there are other efforts underway to address known shortfalls. Follow-on efforts that successfully execute the recommendations will tangibly improve to the ability to model gamma signatures and backgrounds for user applications, such as controlled substance detection, oil-well logging, and space exploration.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Variational Monte Carlo calculations of n + H 3 scattering

A paramount goal in nuclear physics is to unify ab initio treatments of bound and unbound states. The position-space quantum Monte Carlo (QMC) methods have a long history of successful bound-state calculations in light systems but have seen minimal implementation in unbound systems. Here, we introduce a numerical method to improve the efficiency and accuracy of unbound-state calculations in QMC. As an initial application, we compute scattering observables for the smallest system available to probe three-body forces, the neutron-triton system, using variational Monte Carlo (VMC) wave functions. The method involves inferring long-range amplitudes in the wave function from integrals over the short-range region where all the particles interact. This approach using integral relations is well established in the literature; here, we develop it for the QMC framework. We validate our approach with a consistency check between short-range spectroscopic overlap functions computed from direct evaluation and from the integral relations; scattering amplitudes are long-range asymptotics of those overlaps. Comparison against published benchmark calculations using the same potential demonstrates that when applied to the current VMC wave functions, the integral method produces more accurate scattering observables than direct evaluation from the same variational wave function. However, it still differs noticeably from the exact results. Using additional interactions, we then present phase shifts and mixing parameters for the n + 3 H system. In particular, we present one of the first applications of the Norfolk family of local coordinate-space chiral potentials in unbound systems of A > 2. The Norfolk results accurately describe s-wave scattering but predict p-wave cross sections too large. Compared with previous QMC scattering calculations, the integral method avoids difficulties associated with the precise computation of energy differences and with convergence outside the interaction region, which is particularly severe in the variational calculation. Application of the integral method here paves the way for its use in Green's function Monte Carlo (GFMC) calculations. In GFMC, the wave functions are more accurate, but the high-precision convergence of their tails is slow, and there are additional difficulties in reading out amplitudes. Here, the integral methods will address both of those remaining problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A = 3 ( e , e ' ) x B ≥ 1 cross-section ratios and the isospin structure of short-range correlations

We study the relation between measured high-x B , high-Q 2 , helium-3 to tritium, (e,e') inclusive-scattering cross-section ratios and the relative abundance of high-momentum neutron-proton (np) and proton-proton (pp) short-range correlated (SRC) nucleon pairs in three-body (A=3) nuclei. In this study, analysis of this data using a simple pair-counting cross-section model suggested a much smaller np/pp ratio than previously measured in heavier nuclei, questioning our understanding of A=3 nuclei and, by extension, all other nuclei. Here we examine this finding using spectral-function-based cross-section calculations, with both an ab initio A=3 spectral function and effective Generalized Contact Formalism (GCF) spectral functions using different nucleon-nucleon interaction models. The ab initio calculation agrees with the data, showing good understanding of the structure of A=3 nuclei. An 8% uncertainty on the simple pair-counting model, as implied by the difference between it and the ab initio calculation, gives a factor of 5 uncertainty in the extracted np/pp ratio. Thus we see no evidence for the claimed "unexpected structure in the high-momentum wavefunction for hydrogen-3 and helium-3."

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Measurement of the 13 C(α, n 0 ) 16 O Differential Cross Section from 0.8 to 6.5 MeV

The cross section of the 13 C(α, n 0 ) 16 O reaction is needed for nuclear astrophysics and applications to a precision of 10% or better, yet inconsistencies among 50 years of experimental studies currently lead to an uncertainty of ≈15%. Here, using a state-of-the-art neutron detection array, we have performed a high resolution differential cross section study covering a broad energy range. These measurements result in a dramatic improvement in the extrapolation of the cross section to stellar energies potentially reducing the uncertainty to ≈5% and resolving long standing discrepancies in higher energy data.

6 ≤ A ≤ 19↗

Indirect measurement of the 90 Sr ⁢(𝑛, 𝛾)⁢ 91 Sr reaction cross section and the implications for astrophysical Zr production

Here, the intermediate neutron-capture process (𝑖 process) has gained notable traction within the past decade as a way to describe stellar abundance observations which cannot be explained by the slow and rapid neutron-capture processes. Despite the general success of 𝑖-process models, many open questions remain. Among the observations, Zr stands out, as its elemental abundance is difficult to replicate with available 𝑖-process models, while the reactions that affect its production through the 𝑖 process are close enough to stability to study experimentally. Here, we present the experimental constraint of the nuclear level density and 𝛾-strength function (𝛾 SF) of 91 Sr using the 𝛽-Oslo method, which were then input into the TALYS Hauser-Feshbach code to produce the first experimental constraint of the 90 Sr ⁢(𝑛, 𝛾)⁢ 91 Sr capture reaction. This constraint was used alongside that of 92 Sr ⁢(𝑛, 𝛾)⁢ 93 Sr for a reduction in the uncertainty of [Y/Zr] production in the 𝑖-process relevant environmental neutron density of 10 13.5 and 10 14.5 neutrons/cm 3 .

Physics - Nuclear physics and radiation physics↗

Production and discovery of neutron-rich isotopes by fragmentation of 198 Pt

Production cross sections were measured for fragments produced by an 85 MeV/u 198 Pt beam incident on a beryllium target. Event-by-event particle identification of A, Z, and q for the reaction products was performed by employing energy loss, time-of-flight, magnetic rigidity, and total kinetic energy measurements. Over 70 nuclei in the Hf-Pt region were identified, including three isotopes first observed in this work: 191,192 Hf and 189 Lu. Due to the existence of multiple charge states between H-like and C-like ions, a new analysis method was introduced, incorporating Monte Carlo calculations of charge state fractions for a given charge state of the projectile residue just after the reaction. For the first time, charge-state probability distribution functions after the reaction have been deduced from experimental data. Furthermore, this study provides insight into how to produce key nuclides near N = 126 and the ability of a fragmentation residue to retain electrons from the primary beam.

190 ≤ A ≤ 219↗

Direct measurement of 59 Ni( n, p ) 59 Co and 59 Ni( n, α ) 56 Fe at fast-neutron energies from 500 keV to 10 MeV

We report nuclear reaction data for neutron induced reactions on unstable nuclei are critical for a wide range of applications spanning studies of nuclear astrophysics, nuclear reactor designs, and radiochemistry diagnostics. However, nuclear data evaluations of the reaction cross sections are largely based on calculations due to the difficulty in performing this class of measurements and the resulting lack of experimental data. For neutron induced charged particle reactions at fast neutron energies, at the MeV scale, these cross section predictions are predominately driven by statistical Hauser-Feshbach calculations. In this work, we present partial and total 59 Ni(n, p) and 59 Ni(n, α) cross sections, measured directly with a radioactive 59 Ni target, and compare the results to the present nuclear data evaluations. In addition, the results from this work are compared to a recent study of the 59 Ni(n, xp) reaction cross section that was performed via an indirect surrogate ratio method. The expected energy trend of the cross section, based on the current work, is inconsistent with that of the surrogate work. This calls into question the reliability of that application of the surrogate ratio method and highlights the need for direct measurements on unstable nuclei, when feasible.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Constraining the destruction rate of K 40 in stellar nucleosynthesis through the study of the Ar 40 ( p , n ) K 40 reaction

Background: We present that K 40 plays a significant role in the radiogenic heating of Earth-like exoplanets, which can affect the development of a habitable environment on their surfaces. The initial amount of K 40 in the interior of these planets depends on the composition of the interstellar clouds from which they formed. Within this context, nuclear reactions that regulate the production of K 40 during stellar evolution can play a critical role. Purpose: In this study, we constrain for the first time the astrophysical reaction rate of K 40 ( n , p ) Ar 40 , which is responsible for the destruction of K 40 during stellar nucleosynthesis. We provide to the nuclear physics community high-resolution data on the cross section and angular distribution of the Ar 40 ( p , n ) K 40 reaction. These are important to various applications involving Ar 40 . The associated reaction rate of the Ar 40 ( p , n ) K 40 process addresses a reaction rate gap in the Joint Institute for Nuclear Astrophysics REACLIB database in the region of intermediate-mass isotopes. Methods: We performed differential cross-section measurements on the Ar 40 ( p , n ) K 40 reaction, for six energies in the center-of-mass system between 3.2 and 4.0 MeV and various angles between 0 ° and 135 ° . The experiment took place at the Edwards Accelerator Laboratory at Ohio University using the beam swinger target location and a standard neutron time-of-flight technique. We extracted total and partial cross sections by integrating the double differential cross sections we measured. Results: The total and partial cross sections varied with energy due to the contribution from isobaric analog states and Ericson type fluctuations. The energy-averaged neutron angular distributions were symmetrical relative to 90 ° . Based on the experimental data, local transmission coefficients were extracted and were used to calculate the astrophysical reaction rates of Ar 40 ( p , n ) K 40 and K 40 ( n , p ) Ar 40 reactions. The new rates were found to vary significantly from the theoretical rates in the REACLIB library. We implemented the new rates in network calculations to study nucleosynthesis via the slow neutron capture process, and we found that the produced abundance of K 40 is reduced by up to 10% compared to calculations with the library rates. At the same time, the above result removes a significant portion of the previous theoretical uncertainty on the K 40 yields from stellar evolution calculations. Conclusions: Our results support a destruction rate of K 40 in massive stars via the K 40 ( n , p ) Ar 40 reaction that is larger compared to previous estimates. The rate of K 40 destruction via the K 40 ( n , p ) Ar 40 reaction now has a dramatically reduced uncertainty based on our measurement. Lastly, this result directly affects the predicted stellar yields of K 40 from nucleosynthesis, which is a critical input parameter for the galactic chemical evolution models that are currently employed for the study of significant properties of exoplanets.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Probing proton cross-shell excitations through the two-neutron removal from 38 Ca

Bound states of the neutron-deficient, near-dripline nucleus 36 Ca were populated in two-neutron removal from the ground state of 38 Ca, a direct reaction sensitive to the single-particle configurations and couplings of the removed neutrons in the projectile wave function. Final-state exclusive cross sections for the formation of 36 Ca and the corresponding longitudinal momentum distributions, both determined through the combination of particle and γ-ray spectroscopy, are compared to predictions combining eikonal reaction theory and shell-model two-nucleon amplitudes from the USDB, USDC, and ZBM2 effective interactions. The final-state cross-section ratio σ($2$$^{+}_{1}$) / σ (0 + ) shows particular sensitivity and is approximately reproduced only with the two-nucleon amplitudes from the ZBM2 effective interaction that includes proton cross-shell excitations into the pf shell. Characterizing the proton pf-shell occupancy locally and schematically, an increase of the sd – pf shell gap by 250 keV yields an improved description of this cross-section ratio and simultaneously enables a reproduction of the B(E2;$0$$^{+}_{1}$ → $2$$^{+}_{1}$) excitation strength of 36 Ca. Furthermore, this highlights an important aspect if a new shell-model effective interaction for the region was to be developed on the quest to model the neutron-deficient Ca isotopes and surrounding nuclei whose structure is impacted by proton cross-shell excitations.

20 ≤ A ≤ 38↗

(U) Energy-Dependent Perturbations of Scattering Cross Sections Using the PERT Card in MCNP6.2

The PERT card is used for first- and second-order perturbations of material densities, isotope densities, and isotope cross sections in the MCNP6.2 Monte Carlo code. Using the PERT card for firstand second-order sensitivities is straightforward. Reference 2 only looked at density perturbations with no energy dependence. This report looks at the sensitivity of a response to scattering cross sections as a function of energy and finds that there is a bug in the PERT capability. The SENSMG multigroup neutron sensitivity code was recently given the capability of computing sensitivities to user-specified reactions whose cross sections are available in a user-supplied NJOY output file. SENSMG uses the PARTISN multigroup discrete ordinates code for the transport. The NJOY-reaction capability is similar to that of SUSD3D, which also uses PARTISN for the multigroup transport. The PERT bug was identified by comparing MCNP6.2 outputs with SENSMG outputs. The next section of this report describes the test problem. Section III presents the MCNP6.2 PERT bug and proposes a solution. Section IV is a summary and conclusions. The SENSMG and MCNP input files are listed in the appendix.

07 ISOTOPE AND RADIATION SOURCES↗

Preliminary Design of a New Pulsed-Neutron Die--Away Experiments with Absorbers (IER-552 CED-1)

This report presents the preliminary design (CED-1) of IER-552, pulsed-neutron die-away (PNDA) experiments with absorbers, to be conducted by Lawrence Livermore National Laboratory (LLNL). The goal of the PNDA experiments with absorbing materials is to produce high-quality, low-cost integral benchmarks that can be used to validate cross sections that are high priority nuclear data for the Department of Energy’s Nuclear Criticality Safety Program (NCSP). PNDA experiments can be used to generate nuclear data validation benchmarks quickly and cheaply, as they do not require fissile material or a nuclear facility to conduct them. The original PNDA experiments were set up at LLNL under IER-501. Extending the PNDA experiments to include absorbing materials leverages existing facilities and resources at LLNL to validate cross sections, with a basic experiment design that uses a neutron generator to impinge a short, mono-energetic neutron pulse on a poisoned, moderating target sample. The neutron pulse lasts 100 µs, after which the neutron population in the sample reaches thermal equilibrium and later spatial equilibrium. In this fully equilibrized state, the neutron population has a characteristic decay-time eigenvalue. The eigenvalue can be used as an integral parameter to validate nuclear data involved with neutron scattering and absorption. Two observables can be measured: the neutron population and the population of secondary γ-rays produced by inelastic and capture reactions. This report explores the feasibility of both approaches. For γ-ray measurements, this allows for direct measurement of reactions of interest for validation. During the neutron burst time, inelastic (prompt) γ-rays dominate, and these data can be isolated for validation of neutron inelastic scattering data. After the pulse ends, neutron capture (delayed) γ-rays dominate and are produced by many reaction channels as neutrons slow down to thermal energies. Two sets of γ-ray spectra (inelastic, capture) can be produced for validation. Additionally, the time-dependent decay of the capture γ-ray population when the neutron population is thermalized and in its fundamental mode can be used for validation. Two experiments can be imagined where pulsed neutrons are used to validate the nuclear data of absorbing materials. The first integrates well into the existing PNDA testbed at LLNL. The absorber material would be introduced into a moderating target and the same neutron generator, neutron detectors, electronics, and shielding box used for IER-501 would be employed. From the same experimental setup, many absorbing materials can be validated by simply changing the neutron poison in the moderator. The only significant modification would be the introduction of a γ-ray detector. Such an experiment would primarily serve to validate nuclear data in the thermal energy range. The second kind of experiment would validate the fast and epithermal energy range. It would involve pulsing neutron into a bare assembly of the absorber material and measuring the die-away of neutrons. The fast leakage of such an assembly requires nanosecond neutron-generator pulse widths and fast detectors/electronics that could measure ~200 ns die-away curves. This kind of experiment would ideally be performed at a cyclotron, like that available at Lawrence Berkeley National Laboratory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Impact of Increased Latent Generations on Sensitivity Calculations with SCALE

Analyses of cross section sensitivity data from systems with fissile material allow analysts to associate an importance for each material, nuclide, reaction, and neutron energy by simulating real world criticality scenarios. Although criticality safety validation efforts can be guided by the cross-section sensitivity and uncertainty data generated for a particular system, these calculations can often be computationally expensive and sometimes cumbersome without proper guidance. The TSUNAMI suite within the SCALE code package has several methods for generating sensitivity data, including multigroup and continuous energy (CE) capabilities. The release of SCALE 6.3 has three different CE methods for generating cross section sensitivity data: (1) the Iterated Fission Probability (IFP) method with the KENO Monte Carlo transport solver, (2) the IFP method with the Shift Monte Carlo transport solver, and (3) the Contributon-Linked eigenvalue sensitivity/Uncertainty estimation via Tracklength importance CHaracterization (CLUTCH) method with the KENO Monte Carlo transport solver. Although the CLUTCH method has additional parameters for generating sensitivity data files relative to the IFP method, all three methods use latent generations, which are the generations between an event (i.e., fission) and the assessment of importance based on the asymptotic population of progeny neutrons. Increasing the number of latent generations in a calculation leads to increased discrimination of the sensitivity coefficients but at the cost of the increased uncertainty associated with those generated values. Analysts must balance the accuracy of the sensitivity calculations and its uncertainty with the associated computational cost involved in generating the values. This paper discusses the impact of adjusting the latent generation parameter for a range of sensitivity values and how these changes compare with the direct perturbation values obtained from a change of ±0.5% Δ k in both benchmark and safety application models. Two benchmarks from the International Handbook of Evaluated Criticality Safety Benchmark Experiments and the MPC-32 dual purpose canister for spent nuclear fuel are used for analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Divergence Reduction in Monte Carlo Neutron Transport with On-GPU Asynchronous Scheduling

While Monte Carlo Neutron Transport (MCNT) is near-embarrasingly parallel, the effectively unpredictable lifetime of neutrons can lead to divergence when MCNT is evaluated on GPUs. Divergence is the phenomenon of adjacent threads in a warp executing different control flow paths; on GPUS, it reduces performance because each work group may only execute one path at a time. The process of Thread Data Remapping (TDR) resolves these discrepancies by moving data across hardware such that data in the same warp will be processed through similar paths. A common issue among prior implementations of TDR is the synchronous nature of its remapping and processing cycles, which exhaustively sort data produced by prior processing passes and exhaustively evaluate the sorted data. In another work, we defined a method of remapping data through an asynchronous scheduler which allows for work to be stored in shared memory and deferred arbitrarily until that work is a viable option for low-divergence evaluation. This article surveys a wider set of cases, with the goal of characterizing performance trends across a more comprehensive set of parameters. These parameters include cross sections of scattering/capturing/fission, use of implicit capture, source neutron counts, simulation time spans, and tuned memory allocations. Across these cases, we have recorded minimum and average execution times, as well as a heuristically tuned near-optimal memory allocation size for both synchronous and asynchronous scheduling. Across the collected data, it is shown that the asynchronous method is faster and more memory efficient in the majority of cases, and that it requires less tuning to achieve competitive performance.

Computer Science↗

Discriminating Uranium Isotopes Based on Fission Signatures Induced by Delayed Neutrons

The use of active interrogation to induce delayed neutron emission is a well-established technique for the characterization of special nuclear materials. Delayed neutrons have isotope-characteristic spectral and temporal signatures, which provide the basis for isotope identification. However, in bulk materials that contain an appreciable fissile (e.g., 235 U or 233 U) fraction, such as highly enriched uranium (HEU), delayed neutrons have a high probability of inducing additional fissions. As a result, the overall delayed neutron signature consists of two distinct components: the “primary” delayed neutrons (emitted directly by fission fragments) and the “secondary prompt” fission neutrons produced in fission induced by primary delayed neutrons. These prompt products differ from “primary” delayed neutrons both in their energy spectra and in the presence of coincident radiation released by the parent fission event. The presence and relative quantity of prompt products from delayed fission depend on the cross section of the material in the energy range of delayed neutrons, which may differ significantly between isotopes, thus providing an exploitable means for isotope differentiation. Here, we demonstrate two experimental approaches for discriminating between 235 U and 238 U isotopes based on the measurement of delayed neutron-induced fission products. First, HEU and depleted uranium objects are differentiated through the detection of high-energy prompt neutrons from delayed fission using both recoil-based organic liquid scintillators and thermalization spectra from a custom-built capture-gated composite detector. Secondly, coincident radiation measurements are used as the basis for discrimination by comparing the overall rates and time evolution of fission events when delayed neutrons are present.

07 ISOTOPE AND RADIATION SOURCES↗

Energy dependence of coherent photonuclear production of J/ψ mesons in ultra-peripheral Pb-Pb collisions at $\sqrt{{\textrm{s}}_{\textrm{NN}}}$ = 5.02 TeV

The cross section for coherent photonuclear production of J/ψ is presented as a function of the electromagnetic dissociation (EMD) of Pb. The measurement is performed with the ALICE detector in ultra-peripheral Pb-Pb collisions at a centre-of-mass energy per nucleon pair of $\sqrt{{\textrm{s}}_{\textrm{NN}}}$ = 5.02 TeV. Cross sections are presented in five different J/ψ rapidity ranges within |y| < 4, with the J/ψ reconstructed via its dilepton decay channels. In some events the J/ψ is not accompanied by EMD, while other events do produce neutrons from EMD at beam rapidities either in one or the other beam direction, or in both. The cross sections in a given rapidity range and for different configurations of neutrons from EMD allow for the extraction of the energy dependence of this process in the range 17 < W γ Pb,n < 920 GeV, where W γ Pb,n is the centre-of-mass energy per nucleon of the γPb system. This range corresponds to a Bjorken-x interval spanning about three orders of magnitude: 1.1 × 10 —5 < x < 3.3 × 10 —2 . In addition to the ultra-peripheral and photonuclear cross sections, the nuclear suppression factor is obtained. These measurements point to a strong depletion of the gluon distribution in Pb nuclei over a broad, previously unexplored, energy range. These results, together with previous ALICE measurements, provide unprecedented information to probe quantum chromodynamics at high energies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Continuum of magnetic excitations in the Kitaev honeycomb iridate D 3 LiIr 2 O 6

Inelastic neutron scattering (INS) measurements of powder D 3 ( 7 Li)( 193 Ir) 2 O 6 reveal low energy magnetic excitations with a scattering cross-section that is broad in ∣Q∣ and energy transfer. The magnetic nature of the excitation spectrum is demonstrated by longitudinally polarized neutron scattering. The total magnetic moment of 1.8(4)μ B /Ir inferred from the observed magnetic scattering cross-section is consistent with the effective moment inferred from magnetic susceptibility data and expectations for the J eff = 1/2 single ion state. The rise in the dynamic correlation function $\mathcal{S}(Q,w)$ for ℏω < 5 meV can be described by a simple model assuming nearest-neighbor anisotropic spin exchange, such as that found in the Kitaev model. Exchange disorder associated with the D site likely plays an important role in stabilizing the low T quantum fluctuating state.

Halloran, Thomas [Johns Hopkins Univ., Baltimore, ↗