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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Development of a phonon-based sampling method for thermal neutron scattering data

Simulations of reactor systems require access to accurate nuclear data. For many systems, thermal neutron scattering data can have large effects on the eigenvalue and neutron flux distributions. Inelastic thermal neutron scattering can excite or de-excite vibrational, rotational, and translational modes in a material, so thermal scattering evaluations are often obtained by summing over the number of phonons created/destroyed by a scattering event. In recent years, the thermal scattering cross sections and angular distributions have greatly improved in accuracy, but the format in which this data is delivered to simulation codes has remained virtually unchanged. Thermal scattering data is typically either compiled into large tables and sorted by incoming neutron energy, outgoing neutron energy, scattering angle, and material temperature, or represented as cumulative distribution functions of momentum exchange or energy exchange. Either method can be quite memory intensive when fine bins are used. In an effort to decrease the amount of space that processed thermal scattering data requires, an alternate format is proposed. The phonon-based sampling method introduced here can sample the number of phonons excited for each collision, the change in neutron energy, and the scattering angle while avoiding pre-computed angular bins and limiting the amount of data that is dependent on incoming energy. Through this method, the generation and storage of large interpolation tables is avoided, which could have benefits in both memory storage and accuracy. While the initial implementation of this method is slower than current alternatives, it is significantly more resistant to grid coarseness errors and has good potential for improvement. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

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↗
DOE OSTI2022

Experiments for validation of TSL evaluations [Slides]

There is a recent revival of thermal scattering evaluation capabilities and there are many new evaluations available in ENDF-8.0 and elsewhere. This creates a need for experimental validation other than criticality benchmarks. Thermal scattering libraries (TSL) provide information to describe the double differential thermal scattering at different moderator temperatures. For moderators, the biggest effect of TSL is the thermal scattering cross section.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Description of quantum interference using mixed quantum/classical theory of inelastic scattering

Manifestation of the quantum interference effect in the oscillation of scattering cross section is explored using the N 2 + O system as a case study. Calculations are carried out for two electronic PESs of the system, for various initial rotational states of N 2 , in a broad range of N 2 + O collision energies and using three theoretical methods: two versions of the approximate mixed quantum/classical theory (MQCT and AT-MQCT) and the accurate full-quantum coupled-channel method (implemented in MOLSCAT). A good agreement between different methods is observed, especially at high energies. Elastic scattering cross-sections oscillate as a function of collision energy, which is the result of quantum interference. The effects of initial rotational excitation and of the PES properties are studied in detail. For the final (thermally averaged) cross sections, both MOLSCAT and MQCT calculations predict a rather regular pattern of quantum oscillations that persist through a broad range of collision energies and expand into the low-energy regime where quantum scattering resonances are common. The difference between cross sections predicted by MQCT and MOLSCAT decreases from ~8% at low energies to ~2% at high energies. Finally, experimental data available at high collision energies are well reproduced.

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

Beryllium (Be) Handbook

Beryllium (Be), atomic number 4, is a silver gray metal of low density (1.85g/cm 3 ), moderately high melting point (1289°C), and quite good stability in the atmosphere. Favorable mechanical properties, particularly specific stiffness (elastic modulus/density), have resulted in a number of weight-critical structural applications. Other notable properties of beryllium include good dimensional stability, high specific heat and extremely high transparency to X-radiation. The nuclear properties of beryllium include a high neutron scattering cross section (6 barns for thermal neutrons) and a low neutron absorption cross section (0.009 barns for thermal neutrons) making it a good choice for a neutron reflector. The (n, 2n) reaction in beryllium also makes it suitable for a neutron multiplier.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Multigroup cross section generation capability in GRIFFIN

GRIFFIN is an advanced reactor multiphysics application built on the object-oriented simulation environment (MOOSE) and is jointly developed by Idaho National Laboratory and Argonne National Laboratory. The cross section application programming interface, originally developed for the PROTEUS code, has been integrated into GRIFFIN to prepare cross sections for thermal reactor applications with heterogeneous geometries. Additional improvements have been made by implementing an on-the-fly slowing down method, a double heterogeneity treatment capability, and updating the procedure to generate the fine multigroup library. The cross section preparation capability in GRIFFIN was verified for graphite-moderated TRISO fuel-based reactor benchmark problems: unit-cell problems of VHTR and EMPIRE micro reactor and HTTR assembly problems. Eigenvalues and multigroup cross sections of GRIFFIN agreed very well with those of the continuous-energy Monte Carlo code Serpent2 within 200 pcm in eigenvalue and 2% in cross sections. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

A Cold Moderator For Sub-Thermal Neutron Flux Enhancement at the RPI-LINAC

The importance of high-quality thermal neutron scattering kernels coupled with a lack of accurate sub-thermal total cross section data prompted researchers at Rensselaer Polytechnic Institute (RPI) to design a cold moderation system to enhance sub-thermal neutron flux (defined as flux below 5 meV), for nuclear data measurements at the RPI Gaerttner LINAC facility. Using a series of neutronic and heat transfer simulations obtained with MCNP and COMSOL, an optimized final design was produced. The final design exceeded current target sub-thermal neutron producing capabilities by a factor of 8 in the sub-thermal region and is easily configurable with existing neutron producing targets.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Investigation of the Impact of TSL Data Libraries and Geometry Variations on the MSRE Benchmark

The increasing demand for green, low-carbon energy solutions has amplified the focus on advanced nuclear reactor technologies. Among these, Molten Salt Reactors (MSRs) have been spotlighted because of their special features. Historically, Oak Ridge National Laboratory (ORNL) started the Molten Salt Reactor Experiment (MSRE) in 1956. Later, ORNL and the University of California, Berkeley (UCB) jointly developed the MSRE benchmark. This was then reviewed by the International Reactor Physics Experiment Evaluation Project (IRPhEP) committee and added to their 2019 handbook. In the current study, the benchmark model was recreated via the Serpent code. The calculated effective multiplication factor was 1.02087 ± 0.00019, which gives a deviation of about 2000 pcm compared to the benchmark/experimental result. At North Carolina State University (NCSU), recent evaluations were conducted on thermal scattering cross sections for molten salt FLiBe and 20% porous nuclear graphite, anticipated for incorporation in the ENDF/B-VIII.1 library. The influences of these thermal scattering law (TSL) data and geometry changes on the multiplication factor were examined using the ENDF/B-VII.1 and ENDF/B-VIII.0 libraries. Introducing the TSL data for FLiBe and 20% porous graphite resulted in an effective multiplication factor of +270 pcm compared to the reference value obtained with ENDF/B-VII.1 in this study. The adjustment of the reactor vessel dimensions resulted in decrease of -448 pcm in the calculated effective multiplication factor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Ultrawide bandgap semiconductor h-BN for direct detection of fast neutrons

III-nitride wide bandgap semiconductors have contributed on the grandest scale to many technological advances in lighting, displays, and power electronics. Among III-nitrides, BN has another unique application as a solid-state neutron detector material because the isotope B-10 is among a few elements that have an unusually large interaction cross section with thermal neutrons. A record high thermal neutron detection efficiency of 60% has been achieved by B-10 enriched h-BN detectors of 100 μm in thickness in our group. However, direct detection of fast neutrons with energies above 1 MeV is highly challenging due to the extremely low interaction cross section of fast neutrons with matter. We report the successful attainment of 0.4 mm thick freestanding h-BN 4"-diameter wafers, which enabled the demonstration of h-BN fast neutron detectors capable of delivering a detection efficiency of 2.2% in response to a bare AmBe neutron source. Furthermore, it was shown that the energy information of incoming fast neutrons is retained in the neutron pulse-height spectra. A comparison of characteristics between h-BN fast and thermal neutron detectors is summarized. Neutron detectors are vital diagnostic instruments for nuclear and fusion reactor power and safety monitoring, oil field exploration, neutron imaging and therapy, as well as for plasma and material science research. With the outstanding attributes resulting from its ultrawide bandgap (UWBG), including the ability to operate at extreme conditions of high power, voltage, and temperature, the availability of h-BN UWBG semiconductor detectors with the capability of simultaneously detecting thermal and fast neutrons with high efficiencies is expected to open unprecedented applications that are not possible to attain by any other types of neutron detectors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Aqueous harvesting of 88 Zr at a radioactive-ion-beam facility for cross-section measurements

Isotope harvesting is a method of collecting the long-lived radioisotopes that build up during the operation of ion-beam facilities in a way that is useful for subsequent research. As a demonstration of this method for the collection of a group IV metal at a fragmentation facility, the high-energy Zr 88 secondary beam produced from a 140-MeV/u Mo 92 primary beam at the National Superconducting Cyclotron Laboratory (NSCL) was stopped in a water target. The setup aimed to mimic the aqueous beam dump that will be implemented at the Facility for Rare Isotope Beams (FRIB). The collected Zr 88 and accompanying Y 88 decay daughter were radiochemically extracted from the solution and made into target samples suitable for neutron-capture cross-section measurements. These samples were then irradiated at two reactor facilities, and the Zr 88 average thermal-neutron-capture cross section ( σ T ) and resonance integral ( I ) were determined to be σ T = ( 8.04 ± 0.63 ) × 10 5 b and I = ( 2.53 ± 0.28 ) × 10 6 b. The σ T value agrees well with previous results and I , determined for the first time here, was found to be the largest measured resonance integral by two orders of magnitude. The Y 88 thermal-neutron-capture cross section was determined to be less than 1.8 × 10 4 b. This work demonstrates the steps needed to make cross-section measurements with samples produced via aqueous isotope harvesting.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Rovibrationally resolved Rayleigh and Raman scattering cross sections for molecular hydrogen

Accurate Rayleigh and Raman scattering cross sections, tensor components, depolarization ratios, and reversal coefficients for all rovibrational transitions within the X1Σg+ ground electronic state of H2 have been calculated. Raman spectra have been generated using these data. A method for calculating Raman scattering cross sections is formulated that is valid below the ionization threshold and in the region containing resonances, which explicitly accounts for all bound and dissociative vibrational levels of the bound intermediate electronic states and approximately accounts for the ionization continuum. A representative set of cross sections is presented for incident photon energies below 15 eV and compared with existing results in the literature where possible. Convergence of our results with an increasing number of bound intermediate electronic states is demonstrated. The accuracy of the Placzek–Teller approximation is discussed. The effect of accounting for the intermediate ionization continuum is investigated. Local thermal equilibrium cross sections are calculated for Rayleigh and Raman scattering. This work represents the most accurate and complete treatment of Raman scattering for molecular hydrogen to date. A total of 9582 Rayleigh and Raman scattering cross sections have been generated and are openly available on Zenodo under an open-source Creative Commons Attribution license at https://zenodo.org/doi/10.5281/zenodo.13441471.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Thermal scattering law for ice based on neutron time-of-flight experiments carried out at the SEQUOIA spectrometer at the Oak Ridge National Laboratory

Precise estimation of neutron thermalization in moderators relies on high-fidelity thermal scattering cross-section data governed by the thermal scattering law (TSL). The Institut de Radioprotection et de Sûreté Nucléaire (IRSN) has been working on the development of improved TSL for light water ice. Many polymorphic phases of light water ice exist depending on the thermodynamic conditions. The most common type of ice at standard pressure and temperature below water freezing point (273.15 K) is ice-Ih. It is essential to have high-resolution experimental double differential data for developing and/or validating TSL for moderator materials.Existing experimental double-differential scattering data for ice-Ih are extremely sparse and of limited quality. New high-quality double-differential measurements for ice-Ih over multiple temperatures and incident neutron energies would directly support the validation and improvement of ice-Ih TSL models for criticality safety applications.Series of time-of-flight (TOF) inelastic neutron scattering experiments on ice-Ih at temperatures starting at 271 K and down to 6 K, have been carried out at the SEQUOIA spectrometer at the Spallation Neutron Source (SNS) at the Oak Ridge National Laboratory (ORNL), United States. The experiments have been performed for incident neutron energies, Ei= 11, 55, 160, 250, and 600 meV, to explore different excitation energies in the vibrational phonon spectrum. This paper presents the thermodynamic conditions and the details of the TOF measurements on ice-Ih and the derived phonon spectrum from the experimentally measured double differential data. A study of the variation of the phonon spectrum of ice-Ih as a function of temperature is highlighted, and a preliminary TSL evaluation is developed based on the experimental phonon spectrum.

Jaiswal, V↗
DOE OSTI2024

Myths of German Graphite in World War II, with Original Translations

We re-examine the common narrative that a 1941 experimental error by physicists Walther Bothe and Peter Jensen led Germany to abandon graphite as a reactor moderator during World War II. We first detail the history of both German and American graphite experiments, noting that the Americans faced similar setbacks but succeeded only at the end of a costly 18-month graphite purification program. We then use Monte Carlo N-Particle simulations to reconstruct Bothe's 1941 experiment. We find the thermal absorption cross section of Bothe's Siemens electrographite to be 12.2 mb, in contrast to his reported 7.9 mb. This discrepancy arises because the neutrons in Bothe's experiment did not reach thermal equilibrium, leading to an underestimation of neutron absorption. Additionally, despite misconceptions that the Germans were unaware of boron impurities, we share evidence that Wilhelm Hanle accurately measured boron and cadmium impurities in the electrographite. To support our findings, we provide 9 excerpted and 3 complete English translations of classified wartime reports by Heisenberg, Joos, Bothe, Jensen, Höcker, Hanle, and Kremer. Our work aims to illuminate the rational constraints behind Germany's decision to forgo graphite moderation.

Park, Patrick J.↗
DOE OSTI2024

Evaluation of Thermal Scattering Law for U 3 Si 2 Using Temperature-Dependent Phonon Density of States

The thermal scattering law for uranium silicide, a candidate material for high-density nuclear fuel, was evaluated from the temperature-dependent phonon density of states obtained using the quasi-harmonic approximation. For uranium silicide model systems of various volumes near the equilibrium volume, Hellmann-Feynman forces were calculated by performing ab initio lattice dynamics simulations based on density functional theory. Subsequently, the quasi-harmonic approximation was applied by interpolating the results of the harmonic approximation for each volume system. As a sensitivity test, the phonon density of states was calculated for the structures with temperature-dependent volumes at 298 K and 1000 K, obtained by the quasi-harmonic approximation, and the corresponding thermal neutron scattering cross section was evaluated. The temperature-dependent volume and heat capacity of uranium silicide obtained by the quasi-harmonic approximation showed reasonable agreement with experimental data while lattice thermal expansion showed deviation from experimental observations. Thermal scattering cross sections evaluated from 0 K and temperature-dependent phonon density of states exhibited differences of up to 4.1% at 1000 K. This study examines the impact of temperature on the thermal scattering law, employing ab initio lattice dynamics simulations through the quasi-harmonic approximation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions for cometary and planetary applications, as predicted by mixed quantum-classical theory

We present new calculations of collision cross sections for state-to-state transitions between the rotational states in an H 2 O + H 2 O system, which are used to generate a new database of collisional rate coefficients for cometary and planetary applications. Calculations were carried out using a mixed quantum-classical theory approach that is implemented in the code MQCT. The large basis set of rotational states used in these calculations permits us to predict thermally averaged cross sections for 441 transitions in para- and ortho-H 2 O in a broad range of temperatures. It is found that all state-to-state transitions in the H 2 O + H 2 O system split into two well-defined groups, one with higher cross-section values and lower energy transfer, which corresponds to the dipole-dipole driven processes. The other group has smaller cross sections and higher energy transfer, driven by higher-order interaction terms. We present a detailed analysis of the theoretical error bars, and we symmetrized the state-to-state transition matrixes to ensure that excitation and quenching processes for each transition satisfy the principle of microscopic reversibility. We also compare our results with other data available from the literature for H 2 O + H 2 O collisions.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2003

Stable, Thermally Conductive Fillers for Bolted Joints

A commercial structural epoxy [Super Koropon (or equivalent)] has been found to be a suitable filler material for bolted joints that are required to have large thermal conductances. The contact area of such a joint can be less than 1 percent of the apparent joint area, the exact value depending on the roughnesses of the mating surfaces. By occupying the valleys between contact peaks, the filler widens the effective cross section for thermal conduction. In comparison with prior thermal joint-filler materials, the present epoxy offers advantages of stability, ease of application, and -- as a byproduct of its stability -- lasting protection against corrosion. Moreover, unlike silicone greases that have been used previously, this epoxy does not migrate to contaminate adjacent surfaces. Because this epoxy in its uncured state wets metal joint surfaces and has low viscosity, it readily flows to fill the gaps between the mating surfaces: these characteristics affect the overall thermal conductance of the joint more than does the bulk thermal conductivity of the epoxy, which is not exceptional. The thermal conductances of metal-to-metal joints containing this epoxy were found to range between 5 and 8 times those of unfilled joints.

LeVesque, Raymond J., II↗
NASA NTRS1966

Aeronomic theory

Thermal and ionization economy of ionosphere, ion distribution in F layer, refinement of D layer theory, and other aeronomy studies

D LAYER↗