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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Simulation of Inelastic Neutron Scattering Spectra Directly from Molecular Dynamics Trajectories

Inelastic neutron scattering (INS) is a widely used technique to study atomic and molecular vibrations. With the increasing complexity of materials and thus the INS spectra, being able to simulate the spectra from various atomistic models becomes an essential step and also a major bottleneck for INS data analysis. The conventional approach using density functional theory and lattice dynamics often falls short when the materials of interest are complex (e.g., defective, disordered, heterogeneous, amorphous, large-scale), for which molecular dynamics driven by an interatomic force field is a more common approach. In this paper, we demonstrate a method to directly convert molecular dynamics trajectories into simulated INS spectra, including not only fundamental but also higher order excitations. In this work, the results are compared with data collected on various representative samples from different neutron spectrometers. This development will open great opportunities by providing the key tool to perform in-depth analysis of INS data and to validate and optimize computer models.

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

A database of synthetic inelastic neutron scattering spectra from molecules and crystals

Abstract Inelastic neutron scattering (INS) is a powerful tool to study the vibrational dynamics in a material. The analysis and interpretation of the INS spectra, however, are often nontrivial. Unlike diffraction, for which one can quickly calculate the scattering pattern from the structure, the calculation of INS spectra from the structure involves multiple steps requiring significant experience and computational resources. To overcome this barrier, a database of INS spectra consisting of commonly seen materials will be a valuable reference, and it will also lay the foundation of advanced data-driven analysis and interpretation of INS spectra. Here we report such a database compiled for over 20,000 organic molecules and over 10,000 inorganic crystals. The INS spectra are obtained from a streamlined workflow, and the synthetic INS spectra are also verified by available experimental data. The database is expected to greatly facilitate INS data analysis, and it can also enable the utilization of advanced analytics such as data mining and machine learning. Notice: This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1972

Calculations of neutron flux spectra induced in the earth's atmosphere by galactic cosmic rays

Calculations have been carried out to determine the neutron flux induced in the earth's atmosphere by galactic protons and alpha particles at solar minimum for a geomagnetic latitude of 42 N. Neutron flux spectra were calculated using Monte Carlo and discrete ordinates methods, and various comparisons with experimental data are presented. The magnitude and shape of the calculated neutron-leakage spectrum at the particular latitude considered support the theory that the cosmic-ray-albedo-neutron-decay mechanism is the source of the protons and electrons trapped in the Van Allen belts.

Armstrong, T. W.↗
NASA NTRS1973

Calculations of neutron flux spectra induced in the earth's atmosphere by galactic cosmic rays.

Calculations have been carried out to determine the neutron flux induced in the earth's atmosphere by galactic protons and alpha particles at solar minimum for a geomagnetic latitude of 42 N. Neutron flux spectra in the energy range from about 10 to the minus 8th to about 100,000 MeV at various depths in the atmosphere were calculated by using Monte Carlo and discrete ordinates methods, and various comparisons with experimental data are presented. The magnitude and shape of the calculated neutron leakage spectrum at the particular latitude considered support the theory that the cosmic ray albedo neutron decay (Crand) mechanism is the source of the protons trapped in the inner radiation belt.

Armstrong, T. W.↗
NASA NTRS1986

Oscillation spectra of neutron stars with strong magnetic fields

The effects of strong frozen-in vertical magnetic fields on nonradial oscillation spectra in neutron stars are investigated theoretically, focusing on the surface layers near the polar cap of a cylindrically symmetric neutron-star model with shear-supporting crust and molten-crust oceans. The pulsation equations are derived; analytical estimates are obtained; and the results of numerical experiments are presented in tables and graphs. Significant modifications in the frequencies and displacements of the modes are found when a magnetic field is present: Alfven-like g modes (designated magneto-gravity), pseudotoroidal a modes with periods less than 100 ns for a 1-TG field, p-mode displacements almost totally parallel to the field, and a mode spectrum for periods of 100 microsec or more comprising only t, s, and p modes at 1 TG.

Carroll, B. W.↗
NASA NTRS1972

Accelerator measurement of the energy spectra of neutrons emitted in the interaction of 3-GeV protons with several elements

The application of time of flight techniques for determining the shapes of the energy spectra of neutrons between 20 and 400 MeV is discussed. The neutrons are emitted at 20, 34, and 90 degrees in the bombardment of targets by 3 GeV protons. The targets used are carbon, aluminum, cobalt, and platinum with cylindrical cross section. Targets being bombarded are located in the internal circulating beam of a particle accelerator.

Nalesnik, W. J.↗
NASA NTRS1973

Transport analysis of measured neutron leakage spectra from spheres as tests of evaluated high energy cross sections

Integral tests of evaluated ENDF/B high-energy cross sections have been made by comparing measured and calculated neutron leakage flux spectra from spheres of various materials. An Am-Be (alpha,n) source was used to provide fast neutrons at the center of the test spheres of Be, CH2, Pb, Nb, Mo, Ta, and W. The absolute leakage flux spectra were measured in the energy range 0.5 to 12 MeV using a calibrated NE213 liquid scintillator neutron spectrometer. Absolute calculations of the spectra were made using version 3 ENDF/B cross sections and an S sub n discrete ordinates multigroup transport code. Generally excellent agreement was obtained for Be, CH2, Pb, and Mo, and good agreement was observed for Nb although discrepancies were observed for some energy ranges. Poor comparative results, obtained for Ta and W, are attributed to unsatisfactory nonelastic cross sections. The experimental sphere leakage flux spectra are tabulated and serve as possible benchmarks for these elements against which reevaluated cross sections may be tested.

Bogart, D. D.↗
DOE OSTI2023

Modeling and Simulation of Fuel Burnup in Pebble Bed Reactors

Modeling and simulation of fuel burnup plays important roles in reactor design, operation, safety, and security as well as nuclear material control and accounting (MC&A) [1]. This task is uniquely challenging for pebble bed reactors (PBR) because the pebbles are continuously added and recycled into the reactor core, and their paths through the core are random. To address this problem, we present two simulation models in this paper. Brookhaven National Laboratory (BNL) developed a simple lattice model of a PBR in Serpent software to generate used pebble isotopic concentrations. The benefit of using Serpent software in this specific application is that it helps streamline the data generation process without having to use too many independent software codes in combination to achieve a simple task. For example, transport, burnup and zero power decay can be implemented in a single pass. Three-dimensional core models were developed using Serpent to simulate the burnup process of 5 subject pebbles starting from fresh till they reach nearly target burnup, with each pebble placed in one of the five artificially designated radial channels to capture the changing neutron spectra along the core radius. Equilibrium isotopic concentrations were assumed in all other pebbles in the core. To provide a verification for the Serpent isotope transmutation and decay results, Oak Ridge National Laboratory (ORNL) performed simple SCALE/ORIGEN calculations using the average neutron spectra calculated by Serpent for each of the 5 pebbles. The 252-group neutron spectra from Serpent were then used by ORIGEN to produce the one-group library for depletion and decay calculations. The isotopic concentrations of a few nuclides of interest and neutron and gamma source terms produced from the ORIGEN calculations were compared with the ones from the Serpent calculations. The model simulated in this work was based on the Pebble Bed Modular Reactor (PBMR)-400 design because many data needed for the simulation such as core power profiles, fuel and reflector temperatures, and equilibrium core composition are publicly available. In this paper, we will compare the results between these two approaches and benchmark the results against a set of well-established simulation results for PBMR-400.

Dim, Odera↗
DOE OSTI2023

Modeling and Simulation of Fuel Burnup in Pebble Bed Reactors

Modeling and simulation of fuel burnup plays important roles in reactor design, operation, safety, and security as well as nuclear material control and accounting (MC&A) [1]. This task is uniquely challenging for pebble bed reactors (PBR) because the pebbles are continuously added and recycled into the reactor core, and their paths through the core are random. To address this problem, we present two simulation models in this paper. Brookhaven National Laboratory (BNL) developed a simple lattice model of a PBR in Serpent software to generate used pebble isotopic concentrations. The benefit of using Serpent software in this specific application is that it helps streamline the data generation process without having to use too many independent software codes in combination to achieve a simple task. For example, transport, burnup and zero power decay can be implemented in a single pass. Three-dimensional core models were developed using Serpent to simulate the burnup process of five subject pebbles starting from fresh till they reach nearly target burnup, with each pebble placed in one of the five artificially designated radial channels to capture the changing neutron spectra along the core radius. Equilibrium isotopic concentrations were assumed in all other pebbles in the core. To provide a verification for the Serpent isotope transmutation and decay results, Oak Ridge National Laboratory (ORNL) performed simple SCALE/ORIGEN calculations using the average neutron spectra calculated by Serpent for each of the five pebbles. The 252-group neutron spectra from Serpent were then used by ORIGEN to produce the one-group library for depletion and decay calculations. The isotopic concentrations of a few nuclides of interest and neutron and gamma source terms produced from the ORIGEN calculations were compared with the ones from the Serpent calculations. The model simulated in this work was based on the Pebble Bed Modular Reactor (PBMR)-400 design because many data needed for the simulation such as core power profiles, fuel and reflector temperatures, and equilibrium core composition are publicly available. In this paper, we will compare the results between these two approaches and benchmark the results against a set of well-established simulation results for PBMR-400.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS1973

Approximations for neutron emission spectra from proton collisions between 20 and 500 MeV on nuclei of A greater than or equal to 12

When high energy protons from solar proton events or trapped radiation belts impinge on spacecraft structures, secondary particles are emitted. The most pernicious secondaries, from either a biological or physical standpoint, are the cascade and evaporation neutrons because of their reaction with matter leading to radioactive materials in the spacecraft structures. Empirically determined cascade and evaporation neutron emission spectra for protons of energy between 20 and 500 MeV incident on all materials at or above carbon in mass number are presented.

Burrell, M. O.↗
DOE OSTI2021

Determination of the 60 Zn level density from neutron evaporation spectra

Nuclear reactions of interest for astrophysics and applications often rely on statistical model calculations for nuclear reaction rates, particularly for nuclei far from β stability. However, statistical model parameters are often poorly constrained, where experimental constraints are particularly sparse for exotic nuclides. For example, our understanding of the breakout from the NiCu cycle in the astrophysical rp-process is currently limited by uncertainties in the statistical properties of the proton-rich nucleus 60 Zn. We have determined the nuclear level density of 60 Zn using neutron evaporation spectra from 58 Ni( 3 He,n) measured at the Edwards Accelerator Laboratory. We compare our results to a number of theoretical predictions, including phenomenological, microscopic, and shell-model-based approaches. Notably, we find the 60 Zn level density is somewhat lower than expected for excitation energies populated in the 59 Cu(p,γ) 60 Zn reaction under rp-process conditions. This includes a level density plateau from roughly 5 to 6 MeV excitation energy, which is counter to the usual expectation of exponential growth and all theoretical predictions that we explore. Here, a determination of the spin distribution at the relevant excitation energies in 60 Zn is needed to confirm that the Hauser-Feshbach formalism is appropriate for the 59 Cu(p,γ) 60 Zn reaction rate at x-ray burst temperatures

59 ≤ A ≤ 89↗
NASA NTRS1975

Measurement of spectra and neutron fluxes on artificial earth satellites from the Cosmos series

In 1966-1967 measurements were carried out at the altitudes of 200 to 400 km to determine the spectra and fluxes of fast neutrons inside the hermetically sealed artificial earth satellites of the Cosmos series. The detectors used were nuclear emulsions of the B9 and BR types and an emulsion of the P9 type, filled with Li and P. Spectra and fluxes of neutrons in the range of energies from thermal energies to 10 MeV are presented. Neutron doses are also estimated.

Dudkin, V. Y.↗
DOE OSTI2024

Fast neutron leakage spectra of the EUCLID experiment

Special nuclear material in sub-critical and critical configurations measured in integral experiments are important for validation and adjustment of nuclear data. Many different evaluations of nuclear data exist, and these different evaluations can provide different values for individual cross sections that vary due to the uncertainties in differential experiments or lack of such data. For integral experiments, differences in these individual cross sections can have compensating errors, which lead to the same answer. One example of this is the Jezebel critical assembly, where k eff of the system is correctly computed by both ENDF/B-VIII.0 and JEFF-3.3, despite having substantially different underlying evaluated values for specific reactions (such as elastic and inelastic cross sections). To reduce compensating errors in nuclear data, the Experiments Underpinned by Computational Learning for Improvements in Nuclear Data (EUCLID) project has utilized machine learning to design a set of sub-critical and critical experiments. These experiments include slab- and cube-like configurations of 239 Pu in the form of the ZPPR plates. Six different responses were measured on a total of thirteen different configurations. One of these responses, the neutron leakage spectrum, was measured using an EJ301D detector. Finally, the results of the neutron leakage spectra show good agreement (within 1–2 σ ) with the expected spectrum from simulations and will be used in the subsequent nuclear data adjustment done by the EUCLID team.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Neutron Leakage Spectra of the EUCLID Experiment [Abstract]

Integral experiments with sub-critical and critical configurations of special nuclear material are performed in support of nuclear data validation and adjustment. Different nuclear data evaluations may have different values for individual cross sections due to uncertainties in (or lack of) differential experiments, but compensating errors in these data sets can lead to the same k eff results for one application while vastly different for another application. One example of this is 239 Pu, where both ENDF/B-VIII.0 and JEFF-3.3 correctly compute k eff of the Jezebel critical assembly, but the individual contributions from each reaction are vastly different. To help resolve this specific case, the Experiments Underpinned by Computational Learning for Improvements in Nuclear Data (EUCLID) project used machine learning to design a set of experiments to help resolve the compensating errors in 239 Pu. A total of six responses were measured during the experimental campaign, which constrain the data in ways that k eff alone cannot and will be used for adjustment of the nuclear data. One of these responses is the neutron leakage spectrum, which recent work has shown to be useful for constraining the prompt fission neutron spectrum and inelastic scattering. The neutron leakage spectra were measured utilizing a 3 in. right cylinder EJ-301D detector. The measured signal in the detector was deconvoluted using spectrum unfolding techniques, which are presented and compared to simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Neutron Dosimetry for the University of Central Florida (UCF3) Irradiation in ATR

PNNL project 74242 involves the analysis of neutron fluence monitors irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory in accordance with MPO 00236287 and Statement of Work No. 17370, Rev. 0, PNNL Analysis of NSUF Flux and Melt Wire Capsules. This report is for the University of Central Florida (UCF)-3 third stage experiment which was conducted in position B8 of the ATR. Three other irradiations included in the scope of work are reported separately. The neutron fluence monitors were prepared by PNNL and loaded into the UCF-3 assemblies at INL prior to irradiation. Following irradiation, the capsules were returned to PNNL for analysis. The neutron dosimetry capsules were opened, the flux wires were removed for gamma analysis, and the measured activities were used to determine the activation rates for various activation products. Following suitable corrections, the measured activation rates were used to adjust calculated neutron spectra at 8 fluence monitor locations. The adjusted neutron spectra were then used to determine displacement per atom (dpa) and gas production for irradiated materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Neutron Dosimetry for the Colorado School of Mines (CSM 16-10584) Irradiation in ATR

PNNL project 74242 involves the analysis of neutron fluence monitors irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory in accordance with MPO 00236287 and Statement of Work No. 17370, Rev. 0, PNNL Analysis of NSUF Flux and Melt Wire Capsules. This report is for the Colorado School of Mines (CSM 16-10584) experiment which was conducted in position B5 of the ATR. Three other irradiations included in the scope of work are reported separately. The neutron fluence monitors were prepared by PNNL and loaded into the CSM assemblies at INL prior to irradiation. Following irradiation, the capsules were returned to PNNL for analysis. The neutron dosimetry capsules were opened, the flux wires were removed for gamma analysis, and the measured activities were used to determine the activation rates for various activation products. Following suitable corrections, the measured activation rates were used to adjust calculated neutron spectra at 12 fluence monitor locations. The adjusted neutron spectra were then used to determine displacement per atom (dpa) and gas production for irradiated materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Neutron Dosimetry for the SAM-2 Irradiation in ATR

PNNL project 79550 provides for the analysis of neutron fluence monitors irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory in accordance with MPO 00269673 and Statement of Work No. 19704, Rev. 0, PNNL Analysis of NSUF Flux Capsules. This report is for the SAM-2 irradiation which was conducted in position B8 of the ATR. Other experiments included in the statement of work for this project will be reported separately. The neutron fluence monitors were prepared by PNNL and sent to INL for loading into the SAM-2 assembly prior to irradiation. The SAM-2 experiment has 8 capsules labelled A through H designed for different exposures in successive irradiation cycles. This report is for the first three capsules, A, B and C, co-irradiated for 1 cycle. The remaining capsules and fluence monitors will be removed and analyzed after additional irradiation. Following irradiation, the fluence monitors from capsules A, B, and C were returned to PNNL for analysis. The neutron dosimetry capsules were opened, the flux wires were removed for gamma or x-ray analysis, and the measured activities were used to determine the activation rates for various activation products. Following suitable corrections, the measured activation rates were used to adjust calculated neutron spectra at each fluence monitor location. The adjusted neutron spectra were then used to determine displacement per atom (dpa) and gas production for irradiated materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗