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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Electron-Stimulated Formation and Release of Molecular Hydrogen and Oxygen from Boehmite Nanoplatelet Films

Here, the production and release of H 2 and O 2 during and after electron (100–1000 eV) irradiation of boehmite nanoplatelet films was studied. H 2 and O 2 produced during irradiation likely correspond to electron-induced dissociation of the hydroxyls primarily in the terminal surface layers of the boehmite followed by the H· + H· → H 2 (g) and O + O → O 2 (g) combinative desorption reactions as well as the abstraction reactions H· + >OH – → H 2 (g) + >O·̅. Postirradiation temperature-programmed desorption shows a temperature-dependent release of H 2 but no additional release of O 2 . This process likely involves diffusion and recombination of H· atoms initially trapped between the γ-AlOOH planes followed by recombination at edge and surface sites. H 2 production upon thermal-annealing-irradiated material shows no dependence on incident electron flux, suggesting the precursor species (H·) trapped within the bulk are long-lived.

Jones, Brant M.↗
DOE OSTI2022

Floquet engineering of tilted and gapped Dirac bandstructure in 1T$$^\prime$$-MoS$$_2$$

Abstract We have developed a rigorous theoretical formalism for Floquet engineering, investigating, and subsequently tailoring most crucial electronic properties of 1T $$^\prime$$ ′ -MoS $$_2$$ 2 by applying an external high-frequency dressing field within the off-resonance regime. It was recently demonstrated that monolayer semiconducting 1T $$^\prime$$ ′ -MoS $$_2$$ 2 exhibits tunable and gapped spin- and valley-polarized tilted Dirac bands. The electron-photon dressed states depend strongly on the polarization of the applied irradiation and reflect a full complexity of the low-energy Hamiltonian for non-irradiated material. We have calculated and analyzed the properties of the electron dressed states corresponding to linear and circular polarization of a dressing field by focusing on their symmetry, anisotropy, tilting, direct and indirect band gaps. Circularly polarized dressing field is known for transition into a new electronic state with broken time-reversal symmetry and a non-zero Chern number, and therefore, the combination of these topologically non-trivial phases and transitions between them could reveal some truly unique and previously unknown phenomena and applications. We have also computed and discussed the density of states for various types of 1T $$^\prime$$ ′ -MoS $$_2$$ 2 materials and its modification in the presence of a dressing field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Dislocation loop bias and void swelling in irradiated α-iron from mesoscale and atomistic simulations

Abstract Dislocation loops are ubiquitous in irradiated materials, and dislocation loop bias plays a critical role in void swelling. However, due to complicated interactions between dislocation loops and point defects, it is challenging to evaluate the bias factors of dislocation loops. Here, we determine the bias of sessile < 100 > loops in α-iron using a recently developed atomistic approach based on the lifetime of point defects. We establish a mechanistic understanding of the loop interaction based on the diffusion tendency of point defects near the loop core region. Mobile self-interstitial atoms tend to be absorbed from the edge of the loop, and a trapping region perpendicular to the habit plane of the loop exists. The dislocation loop bias is found to be substantially lower than those of straight dislocations in α-iron and should be included in swelling rate estimates. With the obtained sink strength and bias values, agreement is achieved with experimental results for both absolute values and temperature dependence.

Yu, Ziang↗
DOE OSTI2020

Reactor Performance Improvement Options to Sustain High Flux Isotope Reactor Leadership into the Future

The mission of the Neutron Sciences Directorate (NScD) at the U.S. Department of Energy’s Oak Ridge National Laboratory (ORNL) is the undertaking of high-impact research into the structure and properties of materials across the spectrum of biology, chemistry, physics, materials science, and engineering. NScD operates two world-leading neutron scattering facilities including the High Flux Isotope Reactor (HFIR) and the Spallation Neutron Source. HFIR achieved full power in 1966, and over a half century later, it continues to serve a variety of national missions. HFIR provides one of the highest steady-state neutron fluxes of any research reactor in the world to support scientific missions including cold and thermal neutron scattering, isotope production, and materials irradiation research. To sustain leadership in neutron sciences into the future, ORNL is exploring areas in which HFIR can be improved to enhance its performance. Many improvement areas are being explored such as upgrading the cold source and neutron scattering facilities; however, the improvement areas focused on in this paper include replacing the reactor pressure vessel, upgrading the neutron reflector, and converting from high-enriched uranium to low-enriched uranium fuel.

Chandler, David↗
DOE OSTI2023

Migration of Ga vacancies and interstitials in β – Ga 2 O 3

Pathways and energy barriers for the migration of Ga vacancies (V Ga ) and Ga interstitials (Ga i ) in β–Ga 2 O 3 are explored using hybrid functional calculations and the nudged elastic band method. Considering β–Ga 2 O 3 as primarily being an n-type semiconductor, we focus on defect charge states relevant under such conditions: $V^{3 –}_{Ga}$, Ga$^{3+}_{i}$, and Ga$^{+}_{i}$. Notably, we describe a mechanism by which V Ga can transform between its different split configurations. In all cases, the intermediate state consists of a vacancy split between three Ga sites—a three-split vacancy—which enables passage over a significantly lower energy barrier. This is because it avoids the unfavorable simple vacancy at the tetrahedral Ga site. The proposed mechanism lowers the overall barrier for $V^{3–}_{Ga}$ diffusion along the [001] crystal direction from 1.73 to 0.97 eV, whereas the 2.08 eV barrier for the [100] and [010] directions is unaffected. For Ga$^{3+}_{i}$, we obtain similar overall migration barriers of 0.72, 0.80, and 1.02 eV for the [010], [001], and [100] directions, respectively. Ga$^{+}_{i}$ exhibits a strong preference for diffusion within the large eight-sided channel; the overall migration barrier is 0.92 eV for the [010] direction, and 2.16 eV for the [001] and [100] directions. The limiting step for the two latter directions involves ionization of Ga$^{+}_{i}$ followed by a jump to an adjacent large eight-sided channel as Ga$^{3+}_{i}$. Finally, our results are discussed in light of experimental observations of thermally activated recovery processes in irradiated material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Structural dynamics modeling of spent nuclear fuel during hypothetical package drop events

The response of spent nuclear fuel (SNF) to hypothetical package drop events is of particular interest in the scope of spent fuel storage and transportation because of the mechanical shock encountered in such scenarios. Previous testing and modeling by the U.S. Department of Energy has demonstrated that the shock and vibration environment of normal shipping and handling conditions (excluding package drop events) is relatively benign and does not challenge the integrity of spent nuclear fuel. Cask drop events are worth considering because SNF packages are required to withstand free drops onto unyielding surfaces as part of their licensing basis. The acceleration experienced during drop events can be orders of magnitude higher, and thus more advanced models are needed to encompass potential nonlinear behavior of the fuel, such as spacer grid buckling and rod-to-rod impact. This work describes a number of finite element models developed to calculate the response of spent nuclear fuel to various hypothetical drop events that have been validated by package and fuel assembly drop tests conducted in the last decade. Sensitivity of the model response to factors such as package drop orientation, secondary impacts, and irradiated material properties as well as their potential impacts to fuel cladding integrity, was also investigated. Cask drops are not expected as a regular occurrence during SNF transportation, but this work helps raise the understanding of SNF mechanical loads to the point of consistency with the package design requirements.

Kadooka, Kevin↗
DOE OSTI2020

A new mechanism for void-cascade interaction from nondestructive depth-resolved atomic-scale measurements of ion irradiation–induced defects in Fe

The nondestructive investigation of single vacancies and vacancy clusters in ion-irradiated samples requires a depth-resolved probe with atomic sensitivity to defects. The recent development of short-pulsed positron beams provides such a probe. Here, we combine depth-resolved Doppler broadening and positron annihilation lifetime spectroscopies to identify vacancy clusters in ion-irradiated Fe and measure their density as a function of depth. Despite large concentrations of dislocations and voids in the pristine samples, positron annihilation measurements uncovered the structure of vacancy clusters and the change in their size and density with irradiation dose. When combined with transmission electron microscopy measurements, the study demonstrates an association between the increase in the density of small vacancy clusters with irradiation and a remarkable reduction in the size of large voids. This, previously unknown, mechanism for the interaction of cascade damage with voids in ion-irradiated materials is a consequence of the high porosity of the initial microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Building Interfaces with Echo Using R

The following report details the functionality that was developed to directly query the MongoDB and read in echo records from within R, and the ability to create a cinema database directly from echo records. Both of these efforts used the data collected under the MINOS project for development. The nuclear facility under consideration is the High-Flux Isotope Reactor (HFIR) and co-located Radiochemical Engineering Development Center (REDC) at Oak Ridge National Laboratory in Oak Ridge, TN. HFIR is an 85 MW research reactor and is used primarily for production of a medical radioisotopes, material irradiation experiments, neutron activation, and neutron scattering. Targets for the reactor are fabricated and processed and dissolved at REDC, in addition to other glove-box and hot-cell type activities. An overhead view of the facility is provided. The rest of the report is organized as follows: Section 2 describes how to query the MongoDB and load in echo records from within R, with background information on the database type, MongoDB, and the file format of echo records, hdf5, as well as lessons learned during the development phase. Section 3 details the functionality and usage of creating a cinema database directly from echo records within R. A series of appendixes display all the R code (Section 5), some example scripts where the code is used (Section 6), and useful links for further exploration (Section 7).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

MINOS Infrasound Analysis Synopsis

This report was written as a guide to working with infrasound data collected as part of the Multi-Informatics for Nuclear Operations Scenarios (MINOS)project, an NA-22 funded venture. The main purpose of overall MINOS project is the combination of multiple, disparate data modalities to characterize the operations at a nuclear facility, specifically instrumenting and studying the High-Flux Isotope Reactor (HFIR) and Radiochemical Engineering Development Center (REDC) locate at Oak Ridge National Laboratory in Oak Ridge, TN. HFIR is an 85 MW research reactor and is used primarily for production of medical radioisotopes, material irradiation experiments, neutron activation, and neutron scattering. Targets for the reactor are constructed, processed, and dissolved at REDC. REDC also hosts other glove-box and hot-cell type activities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

ECAR 4951 BSU-8242 3 DPA As-Run Physics Analysis

The purpose of this report is to document the as-run physics analysis for the Boise State University (BSU-8242) experiment in the A6, A7 and A8 positions, correlating with the 3 DPA specimens irradiated in Cycles 164A, 164B, and 166A. In this paper the heat rate, flux, fluence, and DPA for all specimens are scaled to the appropriate as-run lobe powers for an accurate assessment and description of the irradiated materials. Source terms per capsule are provided, and a bounded source term per specimen type is given on a per gram basis. Verified and validated MCNP full-core models were used for the neutronics analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Gamma Irradiation Facility

Gamma irradiation is a process that uses Cobalt60 radionuclide produced artificially in nuclear reactors to irradiate a variety of items using gamma radiation. A key characteristic of gamma irradiation is its high penetration capability and the fact that it can modify physical, chemical, and biological properties of the irradiated materials.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Summary of Vendor Irradiation Capsule Workshop Hosted at Oak Ridge National Laboratory, October 3-4, 2022

The Department of Energy office of Nuclear Energy, Advanced Reactor Technology office tasked Idaho National Laboratory (INL), and Oak Ridge National Laboratory (ORNL) with hosting a set of two workshops. The primary purpose of these workshops was to convince the commercial high temperature reactor community, specifically the graphite and composite experts, to collaborate with the building and operation of a graphite/ceramic composite irradiation capsule(s). The workshops were designed to first instruct the attendees on the technical and scheduling challenges in conducting such an experiment by providing information on different technical areas in scheduling, designing, building, operating, and disassembling such irradiation capsules. A secondary purpose was to determine the individual irradiation requirements (including the desired irradiated material properties) to understand what the remaining technical needs for gas-cooled and salt-cooled advanced nuclear reactors. The first workshop was held at ORNL October 3-4, 2022. This report summarizes the discussions held during this workshop. The second workshop was hosted at INL April 4-6, 2023 and will have a separate summary report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Scaled up Process Report – Apparatus and Model

Advanced voloxidation with NO 2 is a proposed process for used nuclear fuel head-end reprocessing scheme that converts UO 2 to higher oxides, and it also converts partitioning volatile fission products into the gas phase, thus facilitating fuel dissolution and actinide recovery. NO 2 voloxidation is being studied on small batches of UO 2 Simfuel, but the real test of process feasibility will be when it is scaled up to work with >100 g of irradiated material. This report discusses the aspects of scale-up that must be considered for NO 2 voloxidation, including development of a stirred reactor to promote agitation of the mixture during processing, online process monitoring, and automation controls. Brief details on parallel efforts are also provided in this report, including (a) demonstration of iodine release from Simfuel made by Spark Plasma Sintering, and (b) development of an order-of-magnitude scale-up to react 100 g of UO 2 Simfuel in a metal reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Neutron Dosimetry for the GE Hitachi 16-10393 Irradiation in ATR

PNNL project 74242 involves the analysis of neutron fluence monitors and melt wires irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory in accordance with MPO 00236287 and Statement of Work (SOW) No. 17370, Rev. 0, PNNL Analysis of NSUF Flux and Melt Wire Capsules. This report is for the GE Hitachi 16-10393 irradiation which was conducted in positions B11 of the ATR. Three other irradiations included in the SOW will be reported separately. The neutron fluence monitors were prepared by PNNL and loaded into the GE Hitachi assemblies 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. 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↗
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↗
DOE OSTI2022

Neutron Dosimetry for the Boise State University JW 15-8242 Irradiation in ATR (Rev.1)

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 00269673and Statement of Work No. 19704, Rev. 0, PNNL Analysis of NSUF Flux Capsules. This report is for the Boise State University (BSU) JW 15-8242 irradiations which were conducted in positions A6, A7 and A8 of the ATR. We previously reported data for this experiment after about 1 dpa in a report issued in January 2021 (1). This report is for longer irradiations to about 3 dpa. Other experiments included in the statement of work for this project will be reported separately. The neutron fluence monitors were prepared by PNNL and loaded into the BSU assemblies 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 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↗