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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Contribution of IAEA coordinated research projects to light water reactors advanced technology fuel testing and simulation

The Fukushima-Daiichi accident in 2011 highlighted the pressing need for enhanced design and safety analysis of nuclear fuels, especially under accident conditions in nuclear power plants (NPPs). To address this need, the international nuclear fuel community has developed several concepts of Accident Tolerant and Advanced Technology Fuels (ATFs) for light water reactors. The International Atomic Energy Agency (IAEA), at the request of its Member States, has initiated a series of three Coordinated Research Projects (CRPs) to aid in the development and testing of these ATFs. Further, these projects, known as FUMAC, ACTOF, and ATF-TS, focus on the experimentation and simulation of ATFs under various accident conditions, including design basis accidents and design extension conditions. This paper provides a comprehensive overview of the main activities, as well as the achieved or anticipated results of these three CRPs. The insights and advancements gained from these projects will enable IAEA Member States to further refine nuclear fission technology, thereby contributing to efforts aimed at mitigating climate change.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

At-power subcritical multiplication in the Advanced Test Reactor during nuclear requalification testing

Power division information during nuclear requalification of the Advanced Test Reactor (ATR) is of considerable interest as an importance function for observed changes to core reactivity. The degree to which a given physical subdivision of a critical reactor acts as a neutron source for other lobes is not analytically characterized for general application. When ATR operates at power, individual power-producing lobes rely on each other as neutron sources in order to maintain constant power, which in general requires either exactly critical multiplication within a reactor or an external neutron source. Here, this work shows that fuel element and lobe powers in ATR can be related with subcritical multiplication theory. Subcritical multiplication factors are computed with a physically validated analytical method based on actual at-power operation, quantifying for each lobe its dependence on other lobes as an external neutron source. This explanation is significant for ATR due to the desire to irradiate a large variety of experiments simultaneously, each having its impact on the core neutron population. For any physical subdivision of any other critical reactor, it is likewise true that the subdivision undergoes only subcritical multiplication.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
DOE OSTI2026

FIB-ToF-SIMS characterization of irradiated U-10Zr

Post-irradiation examination (PIE) is critical for the performance assessment and qualification of nuclear fuels. Secondary ion mass spectrometry (SIMS) is a powerful materials characterization technique that allows for elemental and isotopic mapping with a depth resolution greater than EDS and EPMA. However, it has not yet been applied to PIE of metallic nuclear fuel. Here, in this work, we characterize an fast neutron spectrum irradiated U-10Zr fuel sample using a time-of-flight SIMS (ToF-SIMS) system connected to a FIB/SEM system, which allows for flexible sample analysis compared to a dedicated ToF-SIMS instrument. Analysis of the resulting hyperspectral micrograph data was aided by the development of an unsupervised machine learning (ML) algorithm that iterates on existing methods to segment the 3D micrographic datasets based on the similarity of mass spectra. The results showed that the FIB-ToF-SIMS instrument was potentially capable of spatially resolving closed fission gas bubbles in 3D by continued ion sputtering of the analyzed volume. Additionally, the ML algorithm proved useful in revealing the chemical segregation of light fission products (those with an atomic mass between approximately 85–105 amu, such as ruthenium and rhodium) plus matrix zirconium, heavy fission products (those with an atomic mass between approximately 135–150 amu, such as the lanthanides) and uranium. Future studies are planned to conduct FIB-ToF-SIMS analysis on more irradiated U-Zr samples to study the constituent redistribution.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

SOURCES4D

SOURCES is a code for computing neutron source rates and spectra from spontaneous fission (including delayed neutrons) and (alpha,n) reactions in homogeneous materials and (alpha,n) reactions in single-interface and two-interface geometries. SOURCES is a Los Alamos National Laboratory (LANL) code that is written in FORTRAN and distributed through the Radiation Safety Information Computation Center (RSICC). LANL’s last release of SOURCES to RSICC was SOURCES4C in 2002. This disclosure covers the latest version of SOURCES, SOURCES4D. This version adds sensitivity capabilities for (alpha,n) sources in homogeneous materials. Specifically, SOURCES4D writes new output that can be used to calculate, in post-processing, first and second derivatives of the (alpha,n) source rate density and spectrum with respect to nuclide densities in a homogeneous material and first derivatives of the (alpha,n) source rate density and spectrum with respect to nuclide stopping powers and (alpha,n) cross sections (nuclear data). These derivatives are useful for uncertainty quantification, predictive modeling, and other applications in neutron transport problems.

Favorite, Jeffrey A.↗
DOE OSTI2023

Splitting photons: Singlet fission in nanocrystal-molecule hybrid structures

The goal of this research is to enable all the energy contained in sunlight to be harvested by making full use of the energy contained in the blue and green wavelengths of light. Current systems are unable to extract all of the energy available from photons in this wavelength range due to rapid relaxation processes that dissipate a fraction of the energy as heat. In this work, inexpensive, earth-abundant components capable of supporting multi-excitonic processes involving more than one tightly bound excited state are investigated as a way to exceed the Shockley-Queisser limit. This research will examine hybrid organic-inorganic nanostructures capable of singlet fission, a process by which one high-energy spin-singlet state is converted into two lower-energy spin-triplet states, and subsequent triplet exciton transfer. Specifically, the organic molecules diphenylhexatriene and tetracene that maximally absorb blue light and are known to exhibit singlet fission will be bound to lead chalcogenide nanocrystals. A variety of steady-state and time-resolved spectroscopic techniques will be used to study the transfer of energy from spin-triplet excitons that are created in the organic molecules to the nanoparticle acceptors. The hybrid nanostructures here will be fully characterized both in solution or thin film via electronic absorption and photoluminescence spectroscopy, nuclear magnetic resonance spectroscopy, high-resolution mass spectrometry, transmission electron microscopy, photoelectron spectroscopy, time correlated single photon counting and transient absorption experiments. The effect of molecular and nanocrystal structure on the electronic coupling between the hybrid components will be examined to establish fundamental relationships between structure and triplet energy transfer efficiency. The findings will be directly applicable to a potential tetracene-silicon platform that may ultimately enhance the power conversion efficiency of silicon solar cells.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI1989

Nuclear Safety [Vol. 30, No. 3, July-September 1989]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 325 Safety of Framatome Advanced Nuclear Steam Supply Systems Designs by J. A. Charles and D. Lange, 333 Book Review of Nuclear Accidents: Intervention Levels for the Protection of the Public by H. B. Piper; ACCIDENT ANALYSIS: 335 Living PRA Computer Systems by S. C. Dinsmore and H.-P. Balfanz, 343 Summary of ICAP Assessments of RELAP5/MOD2 by W. E. Driskell and R. G. Hanson; CONTROL AND INSTRUMENTATION: 352 Thermal Performance Monitoring System at Maanshan Nuclear Power Plant by H.-J. Chao, Y.-P. Lin, G.-H. Jou, L.-Y. Liao, and Y.-B. Chen; DESIGN FEATURES: 358 Warning Systems for Nuclear Power Plant Emergencies by J. H. Sorensen and D. S. Mileti; WASTE AND SPENT FUEL MANAGEMENT: 371 Activities Related to Waste Management Compiled by E G. Silver; OPERATING EXPERIENCES: 382 Steam Generator Tube Performance: Experience with Water-Cooled Nuclear Power Reactors During 1985 by O. S. Tatone and R. L. Tapping, 400 Systems Interaction Analyses: Concepts and Techniques (Part II) by M. D. Muhlheim and G. A. Murphy, 413 Reactor Shutdown Experience Compiled by J. W. Cletcher, 416 Operating U.S. Power Reactors Compiled by E G. Silver; RECENT DEVELOPMENTS: 440 General Administrative Activities Compiled by E G. Silver, 460 Reports, Standards, and Safety Guides by D. S. Queener, 466 Status of Power-Reactor Licensing Activities Compiled by E G. Silver, 470 Proposed Rule Changes as of Mar. 31, 1989; ANNOUNCEMENTS: 334 Proceedings Published, 351 CEC Seminar on Methods and Codes for Assessing the Off-Site Consequences of Nuclear Accidents, 357 Short Course on Multiphase Flow and Heat Transfer: Bases and Applications in A: The Nuclear Power Industry B: The Process Industries, 357 International Conference on Probabilistic Safety Assessment and Management, 478 International Topical Meeting on the Safety, Status, and Future of Non-Commercial Reactors and Irradiation Facilities, 475 The Authors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI1989

Nuclear Safety [Vol. 30, No. 3, July-September 1989]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 325 Safety of Framatome Advanced Nuclear Steam Supply Systems Designs by J. A. Charles and D. Lange, 333 Book Review of Nuclear Accidents: Intervention Levels for the Protection of the Public by H. B. Piper; ACCIDENT ANALYSIS: 335 Living PRA Computer Systems by S. C. Dinsmore and H.-P. Balfanz, 343 Summary of ICAP Assessments of RELAP5/MOD2 by W. E. Driskell and R. G. Hanson; CONTROL AND INSTRUMENTATION: 352 Thermal Performance Monitoring System at Maanshan Nuclear Power Plant by H.-J. Chao, Y.-P. Lin, G.-H. Jou, L.-Y. Liao, and Y.-B. Chen; DESIGN FEATURES: 358 Warning Systems for Nuclear Power Plant Emergencies by J. H. Sorensen and D. S. Mileti; WASTE AND SPENT FUEL MANAGEMENT: 371 Activities Related to Waste Management Compiled by E G. Silver; OPERATING EXPERIENCES: 382 Steam Generator Tube Performance: Experience with Water-Cooled Nuclear Power Reactors During 1985 by O. S. Tatone and R. L. Tapping, 400 Systems Interaction Analyses: Concepts and Techniques (Part II) by M. D. Muhlheim and G. A. Murphy, 413 Reactor Shutdown Experience Compiled by J. W. Cletcher, 416 Operating U.S. Power Reactors Compiled by E G. Silver; RECENT DEVELOPMENTS: 440 General Administrative Activities Compiled by E G. Silver, 460 Reports, Standards, and Safety Guides by D. S. Queener, 466 Status of Power-Reactor Licensing Activities Compiled by E G. Silver, 470 Proposed Rule Changes as of Mar. 31, 1989; ANNOUNCEMENTS: 334 Proceedings Published, 351 CEC Seminar on Methods and Codes for Assessing the Off-Site Consequences of Nuclear Accidents, 357 Short Course on Multiphase Flow and Heat Transfer: Bases and Applications in A: The Nuclear Power Industry B: The Process Industries, 357 International Conference on Probabilistic Safety Assessment and Management, 478 International Topical Meeting on the Safety, Status, and Future of Non-Commercial Reactors and Irradiation Facilities, 475 The Authors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Review of SiC material development for nuclear fusion applications: Cross-cutting research and emerging opportunities

The SiC-based materials, particularly SiC-fiber-reinforced SiC matrix (SiC/SiC) composites, show strong potential for structural and functional applications in future fusion power plants because they can operate at high temperatures with a range of coolants and breeders, thereby enabling higher energy conversion efficiency. Here, this paper presents recent advancements in the development of SiC-based materials, focusing on processing techniques and material performance and resistance under fusion-relevant environments. The processing activities have emphasized near-net-shape fabrication and the joining of SiC subcomponents, with processing methods and material compositions informed by previous irradiation experiments on various grades of SiC. Research on irradiation effects has remained focused on degradation mechanisms and the microstructural optimization of SiC/SiC composites irradiated to high neutron damage levels. Analysis of irradiation defects in SiC has advanced via the application of cutting-edge characterization methods, among which Raman spectroscopy is becoming a common tool to assess atomic-scale chemical disorder. Fusion–fission crosscutting irradiation research has explored combined effects in SiC/SiC composites with application-relevant geometries, including bowing of SiC/SiC composite channels under neutron flux gradients, stress evolution in SiC/SiC composite tubes under through-thickness temperature gradients, and irradiation-enhanced corrosion in SiC. Finally, research opportunities for component testing and assessment under fusion-relevant conditions, in support of emerging concepts from the private fusion sector, are discussed.

Advanced manufacturing↗
DOE OSTI2020

Quantal diffusion approach for multinucleon transfer processes in the 58,64 Ni + 208 Pb reactions: Toward the production of unknown neutron-rich nuclei

In recent years, substantial efforts have been made for the study of multinucleon transfer reactions at energies around the Coulomb barrier both experimentally and theoretically, aiming at the production of unknown neutron-rich heavy nuclei. It is crucial to provide reliable theoretical predictions based on microscopic theories with sufficient predictive power. Purpose: This article aims to clarify the applicability of the quantal diffusion approach based on the stochastic mean-field (SMF) theory for multinucleon transfer processes. Isotope production cross sections are evaluated for the reactions of 64 Ni + 208 Pb at E c.m. = 268 MeV and 58 Ni + 208 Pb at E c.m. = 270 MeV and are compared with available experimental data. Methods: Three-dimensional time-dependent Hartree-Fock (TDHF) calculations are carried out for a range of initial orbital angular momenta with Skyrme SLy4d functional. Quantal diffusion equations, derived based on the SMF theory, for variances and covariance of neutron and proton numbers of reaction products are solved, with microscopic drift and diffusion coefficients obtained from time evolution of occupied single-particle orbitals in TDHF. Secondary de-excitation processes, both particle evaporation and fission, are simulated by a statistical compound-nucleus de-excitation model, gemini++. Dynamics of a fast isospin equilibration process followed by a slow drift toward the mass symmetry are commonly observed, as expected. Various reaction outcomes are evaluated, including average mass and charge numbers of reaction products, total kinetic energy loss (TKEL), scattering angle, contact time, and production cross sections for primary and secondary products. By comparing with the experimental data, we find that SMF and TDHF quantitatively reproduce experimental data for few-nucleon-transfer channels around the average values. In contrast, for many-nucleon-transfer channels, we find that the SMF approach provides much better description of the experimentally measured isotopic distributions. The results underline the importance of beyond-mean-field effects, especially one-body (mean-field) fluctuations and correlations, in describing multinucleon transfer processes. Moreover, through a combined analysis of SMF with a statistical model, gemini++, we find a significant contribution of transfer-induced fission, which is consistent with the experimental observation. In some cases, the SMF approach overestimates the isotopic width, requiring further improvements of the theoretical description. Possible ways to improve the description are discussed. The SMF approach is designed to describe the quantum many-body problem according to an ensemble of mean-field trajectories, taking into account part of many-body correlations in the description. As it requires feasible computational costs comparable to the ordinary TDHF approach, together with further model improvements, it will be a promising tool in the search for optimal reaction conditions to produce yet-unknown neutron-rich heavy nuclei through the multinucleon transfer reaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Validation of MPACT BWR capabilities against critical experiments

Over the years, significant validation work for the neutronics code MPACT has been performed against zero-power critical benchmarks and measured data from operating nuclear power plants. As a part of the Modeling and Analysis of Exelon BWRs for Eigenvalue and Thermal Limits Predictability project, new validation efforts relevant to boiling water reactor (BWR) core applications have been performed. This paper presents the results of the critical experiment portion of the BWR validation efforts for MPACT. The Kritz-4 experiments and IPEN/MB-01 BWR-relevant configurations are modeled with MPACT. The Kritz-4 BWR critical experiments were performed at both cold and hot conditions, which is a unique feature among other critical experiment facilities. The MPACT results with linear source (LS) Method of Characteristics (MOC) have very good agreement with the measured criticality. When using the 60-group BWR library with LS and P2 scattering, the maximum k{sub eff} error is 109 pcm, and the average cold-hot bias is only -0.11 pcm/K. The fission rate distributions of MPACT are also verified with Serpent calculations. For the IPEN facility, two configurations are considered: one with a large central void, and one with a cruciform control rod. The MPACT k{sub eff} errors are less than 50 pcm for all IPEN problems. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

What Can and Cannot Be Expected from Tokamak Fusion

This article is a response to the analysis of nuclear fusion by V. V. Orlov and L. I. Ponomarev in their article “Nuclear problems of thermonuclear power generation” [Atomnaya Energiya, 124, No. 2, 105–110 (2018); Atomic Energy, 124, No. 2, 129–138 (2018)], pointing to the decades-long lack-of-progress in thermonuclear energy research. Here, the authors of the article attribute the lack-of-progress to fundamental problems in the nuclear aspects of thermonuclear fusion. Here, the reason for the current stagnation – essentially, the degeneration of thermonuclear fusion that commenced in the 1950s–1970s with rapid development – is presented. The scientific investigations have been and remain within the scope of the Tamm–Sakharov concept of toroidal plasma confinement, which provided the first impetus to progress but soon showed its insufficiency. An additional element is considered – the suppression of plasma cooling by using moving liquid lithium to pump out plasma. For tokamaks this opens up new prospects for obtaining burning plasma suitable for use in hybrid (fission-fusion) reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Research Needs for Uranium-Zirconium- Based Metallic Fuels

The purpose of this report is to summarize the needs and present recommendations related to the future direction for U-Zr-based metallic fuel research (including binary U-Zr and ternary U-Pu-Zr alloys). These needs and recommendations were determined by subject matter experts from various institutions during a two-day workshop held at the University of Florida in November, 2019. During open-floor discussions, the highest priority gaps in our understanding of U-Zr-based fuels were down-selected, and near- and long-term needs that directly impact the implementation of these metallic fuels were identified. The identified near-term needs include investigation of the following phenomena: i) swelling and fission gas release, ii) fuel-cladding chemical interaction, iii) phase evolution/constituent redistribution, and iv) thermal properties of the fuels. The long-term needs are: i) investigation of fuel creep and plasticity and ii) fission product (lanthanide) transport. In addition, there was general agreement that all institutions and subject matter experts would benefit from an open-source metallic fuels database with thermophysical property and microstructural data, along with fuel operation/irradiation history, which should be regularly updated with vetted information from new experimental and computational investigations and used to advance metallic fuels research and development. Finally, we recommend that metallic fuel research should be ongoing and that fuel qualification and fuel optimization should be equally prioritized; research combining experiments with modeling and simulation has the largest potential impact.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Development and Refinement of Bison Models for Higher Burnup Application

Electric Power Research Institute (EPRI) is an international research organization funded by organizations in the energy and government sectors. The company conducts research to tackle the energy challenges of its member organizations. In support of the U.S. nuclear industry, EPRI and Idaho National Laboratory were awarded a U.S. Department of Energy Technology Commercialization Fund to develop a loss of coolant accident (LOCA) analysis tool. This tool was developed to support burnup extension activities by supplementing the existing capabilities of operators of existing large light-water reactor plants. The tool couples INL developed codes Bison and RELAP5-3D for advanced simulation of LOCA behavior. The project consists of seven major tasks, one of which is the development and refinement of Bison models for higher burnup applications. This task is broken down into six targeted areas of development and refinement including: formation of high burnup structure, fuel fracture and pulverization, transient fission gas release, axial gas communication within a fuel rod, cladding ballooning and burst, and axial fuel relocation. This report summarizes the models for both the fuel and cladding in Bison for high burnup application, identifies the areas of development and refinement necessary to enhance the Bison capabilities to be used in the coupled simulation tool with RELAP5-3D. Integration and regression testing to demonstrate proper implementation of the new features in Bison is highlighted.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Rossi-alpha Analysis of Thermal/Epithermal eXperiments Optimized for Polyethylene Thermal Neutron Scattering

Accurate nuclear data is the foundation for predictive simulations and design of new experimental in the nuclear community. The criticality safety community has particular interest in benchmarking assemblies with thermal neutron data. To address such needs the Nuclear Criticality Safety Program (NCSP) funded the Thermal/Epithermal eXperiments (TEX) campaigns that were to be completed between Lawrence Livermore National Laboratory (LLNL) and Los Alamos National Laboratory (LANL). Specifically, analysis of plutonium with a thermal neutron spectrum expands on previous work to help validate thermal scattering law data, which can have larger impacts in thermal applications. The first of these experiments were successfully conducted in 2018, but this paper will focus on the 2021 measurement focused on investigating the the thermal scattering law (TSL) for polyethylene. These experiments were successfully conducted at the National Criticality Experiments Research Center (NCERC) using the Planet vertical lift critical assembly machine. Polethylene plates were layered with trays of Zero Power Physics Reactor (ZPPR) 24 plates in a 12" by 12" square. The ZPPR plates were 2" by 3" by 0.125" bearing weapons grade plutonium. The polyethylene moderator was either 2" or 1.6875" thick. This work builds on the Rossi-alpha calculations done by McKenzie et al. for the same detector-assembly system and will only focus on the Rossi-alpha neutron noise method. This work will aim to further validate the results of the experiment through a novel neutron noise python package. Following similar methodology to the previous analysis, analysis of TEX evaluated the prompt neutron decay constant at delayed critical, $α_{DC}$ using Rossi-alpha for different polyethylene moderator thicknesses. These results will help improve understanding of TSL in critical experiments. Alpha (α), is the prompt neutron decay constant of the measured system and allows for the evaluation of a systems propensity to sustain fission chains via prompt neutrons. The single value description of the assemblies allow for comparison between experiments regardless of composition, geometry, and reflectors/moderators. Rossi-alpha measurements were performed on the polyethylene moderated TEX experiments to estimate $α_{DC}$.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Metallic Fuel Benchmark Simulations Based on the X430 Experiments

To gauge the accuracy of current BISON metallic fuel performance models and identify models that require further development, Oak Ridge National Laboratory has developed benchmark problems based on two pins of the X430 experiment. These benchmarks recreate the experimental conditions of the X430 series of experiments with as much accuracy as possible given the available data. The benchmarks were implemented in the BISON nuclear fuel performance code and the simulation results were compared with the experimental results to quantify the simulation accuracy. Findings in this work were consistent with previous benchmark problems. The temperature profiles, burnup, and fission gas behavior were all as accurate as can reasonably be expected. The cladding radial growth was accurate enough to not affect the results of other measurements. The fuel axial growth was accurate for U-Zr fuel but not for U-Pu-Zr fuel, which appears to be caused by a lack of U-Pu-Zr data. Swelling correlations have not been developed for U-Pu-Zr fuel because there were not enough data on this fuel type, so BISON used the U-Zr correlations. Finally, recommendations were made for near-term BISON development.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

X-ray absorption spectroscopy of trivalent Eu, Gd, Tb, and Dy chlorides and oxychlorides

Growing interest in next generation molten salt nuclear reactors necessitates a fundamental understanding of the chemical and physico-chemical properties of fission products, including elements of the lanthanide series. In this study, we probed coordination environment of Eu, Gd, Tb, and Dy in their chloride salts with both laboratory and synchrotron scale X-ray absorption spectroscopy (XAS). Here the aerobic melting was carried out with LnCl 3 ·nH 2 O, where Ln is Eu, Gd, Tb, and Dy, and yielded predominant formation of oxychlorides (LnOCl), that was confirmed by extended X-ray absorption fine structure (EXAFS) analysis and X-ray diffraction (XRD). Density functional theory (DFT) and time-dependent density functional theory (TDDFT) computations were performed to obtain ground state structures, lattice parameters, and to simulate L 3 -edge XANES (X-ray absorption near edge structure) spectra of the LnCl 3 ·nH 2 O and LnOCl. A blue shift, initially predicted by our calculations, was also observed for the experimental Ln L 3 -edge XANES spectra of the hydrated trichlorides vs oxychlorides, highlighting the power of combining the predictive ability of theory with experiment to elucidate the properties of the compounds of interest. The blue shift is indicative of structural stabilization of LnCl 3 ·nH 2 O due to higher symmetry compared with LnOCl. To the best of knowledge, this is a first study providing the framework for fundamental insights into the structure of Ln trichlorides and oxychlorides in support of future characterization of lanthanides in the molten salt environment.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Constraining Inputs to Realistic Kilonova Simulations through Comparison to Observed r -process Abundances

Kilonovae, one source of electromagnetic emission associated with neutron star mergers, are powered by the decay of radioactive isotopes in the neutron-rich merger ejecta. Models for kilonova emission consistent with the electromagnetic counterpart to GW170817 predict characteristic abundance patterns, determined by the relative balance of different types of material in the outflow. Assuming that the observed source is prototypical, this inferred abundance pattern in turn must match r -process abundances deduced by other means, such as what is observed in the solar system. We report on analysis comparing the input mass-weighted elemental compositions adopted in our radiative transfer simulations to the mass fractions of elements in the Sun, as a practical prototype for the potentially universal abundance signature from neutron star mergers. We characterize the extent to which our parameter inference results depend on our assumed composition for the dynamical and wind ejecta and examine how the new results compare to previous work. We find that a dynamical ejecta composition calculated using the FRDM2012 nuclear mass and FRLDM fission models with extremely neutron-rich ejecta ($Y_e$ = 0.035) along with moderately neutron-rich ($Y_e$ = 0.27) wind ejecta composition yields a wind-to-dynamical mass ratio of $M_w$/$M_d$ = 0.47, which best matches the observed AT2017gfo kilonova light curves while also producing the bestmatching abundance of neutron capture elements in the solar system, though, allowing for systematics, the ratio may be as high as of order unity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

IAEA Photonuclear Data Library 2019

Here, photo-induced reaction cross section data are of importance for a variety of current or emerging applications, such as radiation shielding design and radiation transport analyses, calculations of absorbed dose in the human body during radiotherapy, physics and technology of fission reactors (influence of photo-reactions on neutron balance) and fusion reactors (plasma diagnostics and shielding), activation analyses, safeguards and inspection technologies, nuclear waste transmutation, medical isotope production and astrophysical applications. To address these data needs the IAEA Photonuclear Data library was produced in 1999, containing evaluated photo-induced cross sections and neutron spectra for 164 nuclides which were deemed relevant for the applications. Since the release of the IAEA Photonuclear Data Library however, new experimental data as well as new methods to assess the reliability of experimental cross sections have become available. Theoretical models and input parameters used to evaluate photo-induced reactions have improved significantly over the years. In addition, new measurements of partial photoneutron cross sections using mono-energetic photon beams and advanced neutron detection systems have been performed allowing for the validation of the evaluations and assessments of the experimental data. Furthermore, technological advances have led to the construction of new and more powerful gamma-beam facilities, therefore new data needs are emerging. We report our coordinated efforts to address these data needs and present the results of the new up-to-date evaluations included in the new updated IAEA Photonuclear Data Library consisting of 219 nuclides. The new library includes 188 new evaluations produced by the CRP evaluators, and one evaluation taken from the JENDL/PD-2016 library, while 20 evaluations were retained from the previous 1999 IAEA Photonuclear Data Library. In most of the cases, the photon energy goes up to 200 MeV. A total of 55 nuclides are new in this library reflecting the progress in measurements but also the developing data needs. In this paper we discuss the new assessment method and make recommendations to the user community in cases where the experimental data are discrepant and the assessments disagree. In addition, in the absence of experimental data, we present model predictions for photo-induced reaction cross section on nuclides of potential interest to medical radioisotope production.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗