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At least 235 records · Page 13

Modeling and Analysis of a Micro-reactor using the DireWolf Code Suite

Micro-reactors, specifically those cooled with heat pipes, are tightly coupled systems which require multi-physics tools to accurately model both steady-state and transient behavior. Idaho National Laboratory’s DireWolf code suite is tailor-built to model heat-pipe reactors. DireWolf’s ability to model the coupled steady-state behavior of a heat-pipe micro-reactor are demonstrated herein. The DireWolf modeling methodology is described, and a micro-reactor design is introduced. A full-core model is developed, and the steady-state coupled neutronics-thermal analysis is performed. Results of the analyses, including flux, power, and temperature distributions are presented and discussed. This is a Westinghouse Electric Company (WEC) led publication.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Neutronic design and fuel cycle analysis of a fluoride salt-cooled High Temperature Reactor (FHR)

The Fluoride salt-cooled High temperature Reactor (FHR) is a new Gen IV reactor concept that can operate under near atmospheric pressure circumstances and further enhance the inherent safety. In this study, an FHR core design with 165 megawatts of thermal output (MWth) is proposed. The reactor core employs tri-structural-isotropic (TRISO) particle fuel within prismatic graphite blocks as the basic fuel form, FLiBe (2 {sup 7}LiF-BeF{sub 2}) as the primary coolant, and a three-batch fuel cycle scheme. Sensitivity analyses on various parameters were performed to optimize the cycle length and neutronic parameters. The fuel cycle of this core design was evaluated in detail from 4 aspects: cycle length, power peaking factor (PPF), discharge burnup, and temperature coefficient. It was found that larger fuel channel pitch (FCP) would have a relatively harder neutron spectrum, and yield relatively longer cycle length, lower, better fuel temperature coefficient (FTC), and moderator temperature coefficient (MTC). In addition, burnable poison (BP), Er{sub 2}O{sub 3}, can effectively reduce PPF, hold down the multiplication factor, and more importantly it can improve the MTC. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Understanding magnetic phase coexistence in Ru 2 Mn 1-x Fe x Sn Heusler alloys: A neutron scattering, thermodynamic, and phenomenological analysis

The random substitutional solid solution between the antiferromagnetic (AFM) full-Heusler alloy Ru 2 MnSn and the ferromagnetic (FM) full-Heusler alloy Ru 2 FeSn provides a rare opportunity to study FM-AFM phase competition in a near-lattice-matched, cubic system, with full solubility. At intermediate x in Ru 2 Mn 1-x Fe x Sn this system displays suppressed magnetic ordering temperatures, spatially coexisting FM and AFM order, and strong coercivity enhancement, despite rigorous chemical homogeneity. Here, we construct the most detailed temperature- and x-dependent understanding of the magnetic phase competition and coexistence in this system to date, combining wide-temperature-range neutron diffraction and small-angle neutron scattering with magnetometry and specific heat measurements on thoroughly characterized polycrystals. A complete magnetic phase diagram is generated, showing FM-AFM coexistence between x ≈ 0.30 and x ≈ 0.70. Furthermore, important insight is gained from the extracted length scales for magnetic phase coexistence (25–100 nm), the relative magnetic volume fractions and ordering temperatures, and remarkable x-dependent trends in magnetic and electronic contributions to specific heat. An unusual feature in the magnetic phase diagram (an intermediate FM phase) is also shown to arise from an extrinsic effect related to a minor Ru-rich secondary phase. The established magnetic phase diagram is then discussed with the aid of phenomenological modeling, clarifying the nature of the mesoscale phase coexistence with respect to the understanding of disordered Heisenberg models.

36 MATERIALS SCIENCE↗

Molecular Structure of Sphingomyelin in Fluid Phase Bilayers Determined by the Joint Analysis of Small-Angle Neutron and X-ray Scattering Data

In this work, we have determined the fluid bilayer structure of palmitoyl sphingomyelin (PSM) and stearoyl sphingomyelin (SSM) by simultaneously analyzing small-angle neutron and X-ray scattering data. Using a newly developed scattering density profile (SDP) model for sphingomyelin lipids, we report structural parameters including the area per lipid, total bilayer thickness, and hydrocarbon thickness, in addition to lipid volumes determined by densitometry. Unconstrained all-atom simulations of PSM bilayers at 55 °C using the C36 CHARMM force field produced a lipid area of 56 Å 2 , a value that is 10% lower than the one determined experimentally by SDP analysis (61.9 Å2). Furthermore, scattering form factors calculated from the unconstrained simulations were in poor agreement with experimental form factors, even though segmental order parameter (S CD ) profiles calculated from the simulations were in relatively good agreement with S CD profiles obtained from NMR experiments. Conversely, constrained area simulations at 61.9 Å 2 resulted in good agreement between the simulation and experimental scattering form factors, but not with S CD profiles from NMR. We discuss possible reasons for the discrepancies between these two types of data that are frequently used as validation metrics for molecular dynamics force fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Inverse kinematics study of the energy levels of 21 Ne populated with the 20 Ne +𝑑 reaction

In recent years there has been significant experimental effort aimed at studying the impact of 16 O neutron poisoning on the weak 𝑠 process in rotating massive stars. Improving the understanding of energy levels in 21 Ne is crucial to reducing uncertainties in the rates of the 𝛼-induced reactions on 17 O that determine the overall efficiency of the weak 𝑠 process. This paper reports on one such experiment: a study of the 20 Ne (𝑑,𝑝)⁢ 21 Ne reaction in inverse kinematics. Deduced spin-parity assignments were made based on adiabatic distorted-wave approximation analysis and neutron partial widths were estimated by comparison with a previous experiment. Of particular significance for nuclear astrophysics is the resulting neutron partial width for the 7820-keV energy level, estimated to be 12 200 ⁢(2900)⁢ eV, and an upper limit of ≤ 9300 eV for that of the 7749-keV energy level. These results are in tension with previous studies and therefore this paper also discusses the current state of the research into the astrophysically relevant energy levels and highlights both areas of agreement and areas of disagreement between this and various other studies that have investigated this nucleus.

direct reactions↗

A revisitation of the ENEA TAPIRO Fast Source Reactor neutronic capabilities

This work is devoted to the analysis of the neutronic characterization of the ENEA-Casaccia center RSV TAPIRO fast neutrons source reactor performed during the 80's in the frame of a joint ENEA-SCK-CEN Mol collaboration. The Belgian scientist Albert Fabry, who was available to investigate a fast research reactor to perform a full characterization of the system neutron flux, led the TAPIRO experimental campaign. In particular, the paper is focused on the comparison between some 'recommended' Fabry experimental reaction rates traverses and nowadays MCNP Monte Carlo and ERANOS deterministic calculation results. It appears that the quality of the results depends on the penetration depth into the copper reflector. The influence of copper nuclear data are more evident in the ERANOS results. Massimo Salvatores has provided a great contribution to the interpretation of the TAPIRO neutronics: this humble work is dedicated to him.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Structure in the event-by-event energy-dependent neutron-$γ$ multiplicity correlations in 252 Cf(sf)

The emission of neutrons and γ rays by fission fragments reveal important information about the properties of fragments immediately following scission. The initial fragment properties, correlations between fragments, and emission competition give rise to correlations in neutron-γ emission. Recent theoretical and experimental advances have been proposed to explain the mechanism of angular momentum generation in fission, which would result in observable signature in neutron-γ emission correlations. In this paper, we present a novel analysis method of neutrons and γ rays emitted by fission fragments that allows us to discern structure in the observed correlations. We have analyzed data collected on 252 Cf (sf) at the Chi-Nu array at the Los Alamos Neutron Science Center. Through our analysis of the energy-differential neutron-γ multiplicity covariance, we have observed enhanced neutron-γ correlations, corresponding to rotational band γ-ray transitions, at γ-ray energies of 0.7 and 1.2 MeV. To shed light on the origin of this structure, we compare the experimental data with the predictions of three model calculations. The origin of the observed correlation structure is understood in terms of a positive spin-energy correlation in the generation of angular momentum in fission.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Preliminary RAM-RODD results for the MUSiC subcritical configurations

The Measurement of Uranium Subcritical and Critical (MUSiC) was performed at the DOE’s National Criticality Experiments Research Center (NCERC) located in the Nevada National Security Site (NNSS). The measurement utilized the Rocky Flats shells to perform benchmark measurements of similar highly enriched uranium (HEU) systems that span a wide range of reactivities. The Rocky Flats (RF) shells are 93.16% U-235 enriched metal hemishells that can be stacked concentrically. Ten configurations were measured with effective multiplication factors spanning between deeply subcritical (~ 0.64) through delayed critical. Details of the measured configurations are listed in Table 1. This unique set of measurements with its large span of reactivies is being used to determine the range over which neutron noise techniques such as Feynman variance-to-mean, Rossi-alpha, and pulsed neutron source techniques can be accurately employed for a bare HEU system. The results of the measurements will be published as a benchmark in The International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook. The results will support the growing amount of subcritical benchmark data, such as the SCRaP measurements, that is available to the community. The measurements were performed using several different detector systems for the purposes of cross-validation and obtaining detector independent results. Four detector systems were deployed, three by the NCERC team and one from the University of Michigan. The detector systems included a Neutron Multiplicity Array Detector (NoMAD) system (similar to the MC-15), four small volume 0.635 cm (Ø) × 7.59 cm 3 He detectors (ideal for measuring prompt neutron decay constants due to their fast recovery speed), the Rossi Alpha Measurements – Rapid Organic (n, γ) Discrimination Detector (RAM-RODD), and the Organic Scintillator Array (OSCAR). RAM-RODD is an array of eight 5.08 cm (Ø) × 5.08 cm EJ-309 organic scintillator detectors. OSCAR is a University of Michigan system and is an array of twelve 5.08 cm (Ø) × 5.08 cm stilbene detectors. Details of measurements performed with OSCAR will be discussed in a separate talk. The focus of this work is preliminary results obtained by RAM-RODD for the 8 subcritical configurations. Additional details on the measurements and on the setup and deployment of RAM-RODD will be discussed. Preliminary neutron noise analysis results including Rossi-alpha and Feynman-alpha will also be presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Nuclear data uncertainty propagation and modeling uncertainty impact evaluation in neutronics core simulation

Uncertainty analysis is a critical requirement in reactor simulation as it is used to quantify the reliability of best-estimate calculation. A comprehensive uncertainty analysis should characterize all sources of uncertainties in a computationally-feasible and scientifically-defendable manner. Here we employ a well-established reduced order modeling (ROM) based uncertainty quantification methodology to propagate uncertainties throughout neutronic calculations. ROM relies on recent advances in randomized data mining techniques applied to large data streams. In our proposed implementation, the nuclear data uncertainties are first propagated from multi-group level through lattice physics calculation to generate few-group parameter uncertainties, described using a vector of mean values and a covariance matrix. Employing an ROM-based compression of the covariance matrix, the few-group uncertainties are then propagated through downstream core simulation in a computationally efficient manner. This straightforward approach, albeit efficient as compared to brute force forward and/or adjoint-based methods, often employs a number of assumptions that have been unquestioned in the literature of neutronic uncertainty analysis. This manuscript argues that these assumptions could introduce another source of uncertainty referred to as modeling uncertainties, whose magnitude needs to be quantified in tandem with nuclear data uncertainties. Thus, our primary goal is to explore the interactions between these two uncertainty sources in order to assess whether modeling uncertainties have an impact on parameter uncertainties. To explore this endeavor, the impact of a number of modeling assumptions on core attributes uncertainties is quantified. The study employs a CANDU reactor model, with Serpent and NEWT as lattice physics solvers and NESTLE-C as core simulator. The modeling assumptions investigated include those related with the uncertainty propagation method employed, e.g., deterministic vs. stochastic, the few-group energy structure employed to represent the cross-sections, the resonance treatment in lattice physics calculation, the reference values for the cross-section, and the number of samples employed to render ROM compression. Results indicate that some of the modeling assumptions could have a non-negligible impact on the core responses propagated uncertainties, highlighting the need for a more comprehensive approach to combine parameter and modeling uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Electric current-induced precipitation hardening in advanced high-strength steel

Effect of electric current on precipitation hardening for advanced high-strength steel is investigated based on mechanical testing and microscopic observation. Complex-phase steel containing nano-sized Nb-bearing carbides was used. By comparing the flow stress between uniaxial tension with applied electric current (pulsed tension) and without electric current (nonpulsed tension) at various elevated temperatures, the influence of electric current on precipitation hardening was confirmed. A higher values of Vickers hardness and full-width-at-half-maximum were obtained in the pulsed tensile specimen compared to the identically heat treated specimen after the same deformation. Small angle neutron scattering analysis showed that the volume fraction and mean diameter of newly formed precipitates in the pulsed tensile specimen were higher and larger than those in the induction heat treated specimen, respectively. In conclusion, it clearly shows that additional precipitation hardening could be induced by the athermal effect of electric current, which is distinct from the thermal effect of Joule heating.

36 MATERIALS SCIENCE↗

Magnetic ordering in Eu 2 In and Eu 2 Sn

Eu 2 In and Eu 2 Sn crystallize in the orthorhombic Co 2 Si-type structure (oP12, Pnma, No. 62) with In and Sn atoms occupying one 4c site and the Eu atoms filling two other 4c sites. Eu 2 In has a nearly ideal first-order magnetostructural transition (FOMT) at 55 K with a hysteresis of less than 0.1 K, a large entropy change and an adiabatic temperature change of 5.0 K in a field of 2 T. The anhysteretic nature of the FOMT is likely due to there being no change in cell symmetry and relatively small changes in the lattice parameters. There is no magnetostructural transition in Eu2Sn. In this work we present the results of powder neutron diffraction, magnetization, and Eu Mössbauer spectroscopy aimed to investigate the nature of magnetic order for both Eu 2 In and Eu 2 Sn. The Eu Mössbauer spectrum of Eu 2 In at 5 K shows two equal area components, consistent with Eu occupying two equal multiplicity crystallographic sites. However, the different hyperfine fields (B) of 27 T and 17 T suggest that the magnetic environments of the Eu moments on the two 4c sites are different. Neutron diffraction data at 2.5 K show that in Eu 2 In the order is ferromagnetic, with Eu moments on both Eu sites oriented parallel to the a-axis; moment values of 6.8 μB and 6.5 μB were found. For Eu 2 Sn measurements find two antiferromagnetic transitions, which are corroborated by neutron diffraction. Analysis of density-functional theory calculations shows negligible energy difference between differing magnetic configurations, indirectly supporting stability of multiple magnetic structures observed experimentally. While the transition at T N1 = 30 K corresponds to the formation of a simple k 1 = 0 antiferromagnetic structure with Eu-moments pointing along the b-axis, at T N2 = 13 K a coexisting second magnetic order with k 2 = [0, ½, ½] appears.

36 MATERIALS SCIENCE↗

Proton pairing in neutron stars from chiral effective field theory

Here, we study the 1 S 0 proton pairing gap in beta-equilibrated neutron star matter within the framework of chiral effective field theory. We focus on the role of three-body forces, which strongly modify the effective proton-proton spin-singlet interaction in dense matter. We find that three-body forces generically reduce both the size of the pairing gap and the maximum density at which proton pairing may occur. The pairing gap is computed within BCS theory using a single-particle dispersion relation calculated up to second order in perturbation theory. Model uncertainties are estimated by varying the nuclear potential (its order in the chiral expansion and high-momentum cutoff) and the choice of single-particle spectrum in the gap equation. We find that a second-order perturbative treatment of the single-particle spectrum suppresses the proton 1 S 0 pairing gap relative to the use of a free spectrum. We estimate the critical temperature for the onset of proton superconductivity to be T c = (3:2–5:1) 10 9 K, which is consistent with previous theoretical results in the literature and marginally within the range deduced from a recent Bayesian analysis of neutron star cooling observations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Anisotropic spin-wave excitations in multiferroic BiFeO 3

Polarized inelastic neutron-scattering experiments have been performed to elucidate the anisotropic behavior of the low-energy spin-wave excitations in a multiferroic BiFeO 3 , which shows a cycloidal spin structure below 640 K. Using neutron polarization analysis for single magnetic domain crystals, magnetic excitation modes in and out of the cycloidal plane below 6 meV were separated successfully. The magnetic excitation spectra were analyzed using linear spin-wave theory. The low-energy magnon density of states consist of several magnon modes, including the two anisotropic modes, Φ and Ψ modes, distributed in and out of the cycloidal plane, respectively, which were previously observed using optical spectroscopies. Furthermore, there are other magnon modes that are not active in optical measurements. Additionally, a model spin Hamiltonian, which reproduces the spin-wave frequencies observed using optical spectroscopies, explains the overall spectra reasonably well.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Strong, Yet Split Hydrogen Bonding with Ice Rules in Delafossite (H/D)RhO 2

Despite remaining enigmatic, strong hydrogen bonding provides an advanced design handle for tailoring the properties of functional materials. Here, in this study, 3 R –(H/D)RhO 2 delafossites (prepared by ion exchange of Na + from NaRhO 2 ) contain H/D in linear coordination with O, linking Rh III O 2 layers. Bragg and real-space X-ray and neutron scattering analysis, vibrational and solid-state NMR spectroscopy, and density functional theory (DFT)–based electronic structure calculations have been employed to understand the nature of the hydrogen bonding. Despite short distances between H/D and the two O to which they are bonded, a clear double-minimum corresponding to a shorter and longer (H/D)–O distance is established. The triangular lattices formed by H/D appear to display ice-like disorder, corroborated by low-temperature heat capacity measurements.

NMR spectroscopy↗

Charge carrier motion and effect of fixed oxide charge in a microstructured silicon radiation detector

Signal formation in a microstructured semiconductor neutron detector is more complex than in planar diode geometry. Three-dimensional microstructures are laterally smaller than the ionization cloud length, and the electric fields may be weak enough to exhibit plasma time effects. This work is the first detailed treatment of charge carrier motion in these complex semiconductor devices to replicate the time profile and signal magnitude. Simulations were performed using COMSOL Multiphysics to investigate various parameters that affect the propagation of the charge cloud. It was observed that the size of the simulated three-dimensional structure had an impact on the induced current pulse, indicating the importance of simulation geometry optimization to accurately simulate charge cloud expansion. COMSOL Multiphysics was used to replicate accurate charge creation profiles using energy deposition information imported from radiation transport codes. A detailed simulation methodology is presented to benchmark preamplifier event pulses along with complexities in modeling the charge carrier motion along the etched microstructured trenches with Si–SiO 2 boundary conditions, including fixed oxide charge and interface trapping.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Rapid depletion analysis of flowing-pebble reactor systems at equilibrium using SCALE

Several high-temperature gas-cooled reactor concepts (and more recently, salt-cooled designs such as the fluoride salt-cooled high-temperature reactor) feature core designs employing continuously circulating fuel pebbles. These reactor designs permit both continuous online refueling of fuel elements as well as higher overall achievable discharge burnups. However, rapid calculation of time-dependent fuel isotopic inventories proves challenging for this class of dynamic systems with current analysis tools. While iterative approaches employing coupled neutron transport have been developed to solve this issue, rapid depletion analysis techniques are needed to calculate time-dependent inventories for individual pebbles and batches (and thus the construction of full- core inventory at equilibrium). We propose a depletion analysis strategy for this type of system for cores at equilibrium. Drawing upon previous neutronic analysis of the PBMR-400 equilibrium core, we demonstrate the viability of developing collapsed one-group cross section libraries suitable for performing rapid depletion analyses with SCALE. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Discrimination of phosgene from cyanogen chloride in recovered chemical munitions using tagged neutron interrogation with high-resolution gamma-ray spectroscopy

The Associated Particle technique has recently been utilized with a germanium-based high-resolution $\gamma$-ray spectrometer and assessed for its capability to improve field identification of recovered chemical warfare (CW) materiel through prompt gamma-ray neutron activation analysis (PGNAA) measurements. An accurate chemical identification is necessary for the safe handling, destruction, and disposal of such hazardous items. A particularly challenging pair of CW agents commonly found in recovered munitions are phosgene (CG) and cyanogen chloride (CK), which have two of three elements in common, i.e. chlorine and carbon, but differ in the third being either oxygen or nitrogen. The detection of both latter elements is complicated by high oxygen concentration in the field environment which interferes with the small signal produced from the chemical agents. The matter is further complicated by the precautionary field practice of overpacking recovered munitions with vermiculite in larger steel multiple round containers (MRCs), which places additional oxygen-rich material around the munition while further attenuating an already weak signal emitted from the munition center. Here, this work reports quantitative results from realistic field measurements of CG and CK simulants in mock 4.2-inch mortar rounds overpacked with vermiculite in a large MRC. Results obtained with the AP technique are compared to those obtained with the traditional PGNAA approach for both overpacked- and bare-munition measurements. The AP technique is shown to provide a much more confident discrimination between the two chemicals, particularly for the more challenging field-relevant overpacked measurements, where a significant gain in sensitivity to all the key elements chlorine, carbon, nitrogen and oxygen is achieved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Topological Antiferromagnetic Van der Waals Phase in Topological Insulator/Ferromagnet Heterostructures Synthesized by a CMOS-Compatible Sputtering Technique

Breaking time-reversal symmetry by introducing magnetic order, thereby opening a gap in the topological surface state bands, is essential for realizing useful topological properties such as the quantum anomalous Hall and axion insulator states. In this work, a novel topological antiferromagnetic (AFM) phase is created at the interface of a sputtered, c-axis-oriented, topological insulator/ferromagnet heterostructure—Bi 2 Te 3 /Ni 80 Fe 20 because of diffusion of Ni in Bi 2 Te 3 (Ni-Bi 2 Te 3 ). The AFM property of the Ni-Bi2Te3 interfacial layer is established by observation of spontaneous exchange bias in the magnetic hysteresis loop and compensated moments in the depth profile of the magnetization using polarized neutron reflectometry. Analysis of the structural and chemical properties of the Ni-Bi2Te3 layer is carried out using selected-area electron diffraction, electron energy loss spectroscopy, and X-ray photoelectron spectroscopy. These studies, in parallel with first-principles calculations, indicate a solid-state chemical reaction that leads to the formation of Ni=Te bonds and the presence of topological antiferromagnetic (AFM) compound NiBi 2 Te 4 in the Ni-Bi 2 Te 3 interface layer. The Neél temperature of the Ni-Bi 2 Te 3 layer is ≈ 63 K, which is higher than that of typical magnetic topological insulators (MTIs). The presented results provide a pathway toward industrial complementary metal-oxide-semiconductor (CMOS)-process-compatible sputtered-MTI heterostructures, leading to novel materials for topological quantum devices.

36 MATERIALS SCIENCE↗