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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Optical potentials for the rare-isotope beam era

Abstract We review recent progress and motivate the need for further developments in nuclear optical potentials that are widely used in the theoretical analysis of nucleon elastic scattering and reaction cross sections. In regions of the nuclear chart away from stability, which represent a frontier in nuclear science over the coming decade and which will be probed at new rare-isotope beam facilities worldwide, there is a targeted need to quantify and reduce theoretical reaction model uncertainties, especially with respect to nuclear optical potentials. We first describe the primary physics motivations for an improved description of nuclear reactions involving short-lived isotopes, focusing on its benefits for fundamental science discoveries and applications to medicine, energy, and security. We then outline the various methods in use today to build optical potentials starting from phenomenological, microscopic, and ab initio methods, highlighting in particular, the strengths and weaknesses of each approach. We then discuss publicly-available tools and resources facilitating the propagation of recent progresses in the field to practitioners. Finally, we provide a set of open challenges and recommendations for the field to advance the fundamental science goals of nuclear reaction studies in the rare-isotope beam era. This paper is the outcome of the Facility for Rare Isotope Beams Theory Alliance (FRIB-TA) topical program ‘Optical Potentials in Nuclear Physics’ held in March 2022 at FRIB. Its content is non-exhaustive, was chosen by the participants and reflects their efforts related to optical potentials.

42 ENGINEERING↗
DOE OSTI2017

Synthesis and Crystal Structures of Volatile Neptunium(IV) β- Diketonates

Production of certified reference materials in support of domestic nuclear forensics programs require volatile precursors for introduction into electromagnetic isotopic separation instruments. β-diketone chelates of tetravalent actinides are known for their high volatility, but previously developed synthetic approaches require starting material (NpCl 4 ) that is prohibitively difficult and hazardous to prepare. An alternative strategy was developed here that uses controlled potential electrolysis to reduce neptunium to the tetravalent state in submolar concentrations of hydrochloric acid. Four different β-diketone ligands of varying degrees of fluorination were reacted with an aqueous solution of Np 4+ . Products of this reaction were characterized via X-ray diffraction and infrared spectroscopy, and were found to be neutral 8-coordinate complexes that adopt square antiprismatic crystal geometry. Synthesis of Np β-diketonates by this approach circumvents the necessity of using NpCl 4 in tetravalent Np coordination compound synthesis. The volatility of the complexes was assessed using thermogravimetric analysis, where the temperature of sublimation was determined to be in the range of 180° to 205° C. The extent of fluorination did not appreciably alter the sublimation temperature of the complex. Thermal decomposition of these compounds was not observed during sublimation. High volatility and thermal stability of Np β-diketonates make them an ideal candidate for gaseous introduction into isotopic separation instruments.

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

Geochemical Changes in Response to CO 2 Injection in a CO 2 -EOR Complex in Northern Michigan (Volume II.1)

The Midwest Regional Carbon Sequestration Partnership (MRCSP) was founded in 2003 as part of the U.S. Department of Energy’s (DOE’s) Regional Carbon Sequestration Partnership initiative. Since its founding, MRCSP has made significant strides toward making CCUS a viable option for states in the region. The public/private consortium, funded through the DOE Regional Carbon Sequestration Initiative, brings together nearly 40 industry partners and 10 states. Battelle, as the project lead, oversees research, development and operations and coordinates activities among the partners. The incremental, phased approach has built a valuable knowledge base for the industry and paved the way for commercial-scale adoption of CCUS technologies. From 2008 to 2020, MRCSP Phase III focused on the development of large-scale injection projects. This report is part of a series of reports prepared under the Midwestern Regional Carbon Sequestration Partnership (MRCSP) Phase III (Development Phase). These reports summarize and detail the findings of the work conducted under the Phase III project. The report describes the geochemical monitoring program under MRCSP to use stable and radiogenic isotope geochemistry in concert with analysis of general geochemical parameters of fluids and gases and analysis of core samples to determine geochemical processes occurring in the reef structure because of CO 2 injection. Specifically, brine and gas samples were collected and analyzed to determine changes occurring between reefs prior to and following CO 2 injection. The analytical results for general geochemical parameters were modeled with chemical equilibrium models to determine if the injection of CO 2 resulted in the mineral dissolution or precipitation. Finally, core samples were collected and analyzed to determine if there was evidence of dissolution features or mineral precipitation.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

User Manual for MC 2 -3 Gamma Library Generation

This report provides the documentation for the revised procedure to generate the MC 2 -3 gamma library with the latest versions of PreGAMMA and GenGAMMA which have recently been updated to fix the program errors and inconsistent data processing for some isotopes identified in a recent verification and validation study of the MC 2 -3 gamma library. A few associated errors associated with gamma processing were also identified and fixed in the MC 2 -3 code. Addressing the changes in MC 2 -3, the procedure to generate the PMATRX and GAMISO datasets is discussed as well. The input data of PreGAMMA and GenGAMMA are discussed in detail using sample input data. In addition, the structure and formats of the MC 2 -3 gamma library are provided in detail.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Fast Neutron Evaluations for Advanced Lead Systems [Slides]

This presentation touches on fast neutron evaluations for advanced lead systems. This lecture covers project goals to evaluate lead (Pb) isotopes with a focus on improving predictive capabilities of fast systems. Additionally, the project sets out to benchmark available critical and shielding experiments with sensitivity to Pb and utilize RPI Quasi-Differential Scattering experiment for scattering reactions. This project will perform Resolved Resonance Region (RRR) and fast region evaluations for natural Pb isotopes with differential data on EXchange FORmat for experimental numerical nuclear reaction data (EXFOR) and ultimately will submit evaluations to the ENDF/B-VIII.1 library.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

Fission Product Yields: SCALE/ORNL Perspective [Slides]

This presentation covers a few key points. First and foremost, that ORIGEN is a consumer of FPY data. Secondly, TRITON and POLARIS are assets which can be used to validate new FPY data, e.g., from existing radiochemical benchmarks and new irradiation experiments. Lastly, this presentation finds that new capabilities with covariance data should be developed, and V and V methods and analysis are also needed for the covariance data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Quantum Mechanical Modeling of the Vibrational Spectra of Minerals with a Focus on Clays

We present an overview of how to use quantum mechanical calculations to predict vibrational frequencies of molecules and materials such as clays and silicates. Other methods of estimating vibrational frequencies are mentioned, such as classical molecular dynamics simulations; references are given for additional information on these approaches. Herein, we discuss basic vibrational theory, calculating Raman and infrared intensities, steps for creating realistic models, and applications to spectroscopy, thermodynamics, and isotopic fractionation. There are a wide variety of programs and methods that can be employed to model vibrational spectra, but this work focuses on hybrid density functional theory (DFT) approaches. Many of the principles are the same when used in other programs and DFT methods, so a novice can benefit from simple examples that illustrate key points to consider when modeling vibrational spectra. Other methods and programs are listed to give the beginner a starting point for exploring and choosing which approach will be best for a given problem. The modeler should also be aware of the numerous analytical methods available for obtaining information on vibrations of atoms in molecules and materials. In addition to traditional infrared and Raman spectroscopy, sum-frequency generation (SFG) and inelastic neutron scattering (INS) are also excellent techniques for obtaining vibrational frequency information in certain circumstances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Benchmark results with a new evaluation of 155 Gd and 157 Gd

Evaluations of gadolinium isotopes 155 Gd and 157 Gd in the resolved resonance region were performed with the code SAMMY. The main objective for revising the resonance evaluations of these isotopes was to address issues related to critical benchmark results.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Many-body Nuclear Dynamics

The principal goal of this work was to better understand the fusion of neutron-rich nuclei a topic relevant to the fields of both nuclear physics and nuclear astrophysics. The work provides insight into the structure and reactions of neutron-rich nuclei namely the extent of their neutron density distribution and its polarizability. By comparing the fusion excitation functions for a chain of isotopes with a common target nucleus changes in the attractive nuclear potential are assessed. This change in the attractive potential is related to changes in the neutron density distribution with increasing number of neutrons or changes in fusion dynamics with increasing neutron number. The impact of the pairing of valence neutrons and protons on the fusion cross-section is also examined. Measurement of an isotopic chain is a powerful tool to address this topic. The experimental program made use of several different accelerator facilities. The core of the experimental work involved experiments at the ReA3 accelerator and the Facility for Rare Isotope Beams (FRIB) situated at Michigan State University, at GANIL, the French national nuclear physics laboratory, and the University of Notre Dame. At ReA3 the degree to which α-clusters associated with fusion of 28,30,32 Si + 28 Si result from the collision dynamics or reflect an initial α-cluster structure was explored. Alpha clusters observed in fusion reactions exceed the predictions of the standard statistical model. This experiment provides a measure of how clusterization is impacted by the increasing neutron-richess of the system. In the experiment at GANIL we investigated fusion in 19 O + 12 C and 20 O + 12 C. This experiment utilized the recently developed active-target detector MuSIC@Indiana. Using this proven, highly efficient, active-target detector we measured the fusion excitation function for these neutron-rich systems. Grounded by these experimental measurements, theoretical models were used to examine the role of unpaired valence neutrons on the fusion cross-section at energies just above the fusion barrier.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Analysis and Experimental Qualification of an Irradiation Capsule Design for Testing Pressurized Water Reactor Fuel Cladding in the High Flux Isotope Reactor

The Advanced Fuels Campaign within the Fuel Cycle Research and Development program of the Department of Energy Office of Nuclear Energy is currently investigating a number of advanced nuclear fuel cladding concepts to improve the accident tolerance of light water reactors. Alumina-forming ferritic alloys (e.g., FeCrAl) are some of the leading candidates to replace traditional zirconium alloys due to their superior oxidation resistance, provided no prohibitive irradiation-induced embrittlement occurs. Oak Ridge National Laboratory has developed experimental designs to irradiate thin-walled cladding tubes with representative pressurized water reactor geometry in the High Flux Isotope Reactor (HFIR) under relevant temperatures. These designs allow for post-irradiation examination (PIE) of cladding that closely resembles expected commercially viable geometries and microstructures. The experiments were designed using relatively inexpensive rabbit capsules for the irradiation vehicle. The simplistic designs combined with the extremely high neutron flux in the HFIR allow for rapid testing of a large test matrix, thus reducing the time and cost needed to advanced cladding materials closer to commercialization. The designs are flexible in that they allow for testing FeCrAl alloys, stainless steels, Inconel alloys, and zirconium alloys (as a reference material) both with and without hydrides. This will allow a direct comparison of the irradiation performance of advanced cladding materials with traditional zirconium alloys. PIE will include studies of dimensional change, microstructure variation, mechanical performance, etc. This work describes the capsule design, neutronic and thermal analyses, and flow testing that were performed to support the qualification of this new irradiation vehicle.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Updates to the n+ 63,65 Cu Evaluations in the Resolved Resonance Region [Slides]

This presentation discusses the motivation and background of the n+ 63,65 Cu Evaluations in the Resolved Resonance Region which is to study the interaction of neutrons with copper as it is important in nuclear applications since critical assembly configurations include metallic copper as reflector. In support to the U.S. Department of Energy (DOE) Nuclear Criticality Safety Program (NCSP), measurements and related evaluations of 63,65 Cu isotopes were selected to improve the agreement with the benchmarks and to assess the importance of the angular distribution data for reactor calculations. Previous and current evaluation work is supported by an experimental campaign initiated before 2010, the 63,65 Cu R-matrix analysis generated resonance parameters up to 300 keV. However, due to outstanding issues in the benchmark performance, ENDF/B-VIII.0 library released a truncated set of resonance parameters up to 100 keV. The goal of this work is to generate an updated set of resonance parameters in the 100-300 keV range to improve the benchmark performance of 63,65 Cu isotopes. In conclusion, R-matrix analysis to update 63,65 Cu evaluations was performed to simultaneously improve benchmark performance and extend the RRR to 300 keV. The benchmark calculations suggest the increased capture cross sections are beneficial, however, further investigation of the measured capture data is needed to understand the large normalization scaling factor needed to improve the reactivity. Also, the copper-reflected benchmarks indicate the need to further investigate angular distributions and extension of RRR to 300 keV is aided well by level statistics considerations. Work to refine the fit of individual resonances is ongoing.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

Development of Elastic Recoil Detection Technique for Quantifying Light Isotope Concentrations in Irradiated TPBAR Materials.

The National Nuclear Security Administration's Tritium Sustainment Program is responsible for the design, development, demonstration, testing, analysis, and characterization of tritium-producing burnable absorber rods (TPBARs) and their components, in addition to producing tritium for the nation's strategic stockpile. The FY18 call for proposals included the specific basic science research topic, "Demonstration and evaluation of advanced characterization methods, particularly for quantifying the concentration of light isotopes ( 1 H, 2 H, and 4 He, 6 Li, and 7 Li) in metal or ceramic matrices". A project IWO-389859 was awarded to the Ion Beam Lab (IBL) at Sandia-NM in FY18. This reports the success we had in developing and demonstrating such a method: 42 MeV Si + 7 from the IBL' s Tandem was used to recoil these light isotopes into special detectors that separated all these isotopes by simultaneously measuring the energy and stopping power of these reoils. This technique, called Heavy Ion - Elastic Recoil Detection or HI-ERD, accurately measured the enriched 6 Li/Li-total of 0.246 +- 0.016, compared to the known value of 0.239. The isotopes 1 H, 2 H, 4 He, 6 Li and 7 Li were also measured. (page intentionally left blank)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Production Pathways for Medically Interesting Isotopes

Radioisotopes are commonly used in nuclear medicine for treating cancer and new, more effective treatment options are always desired. As a result, there is a national need for new radioisotopes and ways to produce them. A computer program was created that evaluates the daughters for all known reactions of projectiles (gamma rays, protons or neutrons) with every stable target isotope by comparing the cross-sections for each reaction at a desired energy, and outputs a list of the potential daughter isotopes that are most likely to be generated. The program then evaluates the decay chains of these daughters to provide a list of the possible decay chains that contain the radioisotope of interest. By knowing the daughter production and decay chain for each isotope, it is possible to go from the desired radioisotope to the stable isotope that can be used as a target for its production. This project would facilitate the search for new pathways to creating useful theranostic isotopes.

Hutton, A.↗
DOE OSTI2017

Irradiation of Wrought FeCrAl Tubes in the High Flux Isotope Reactor

The Advanced Fuels Campaign within the Nuclear Technology Research and Development program of the Department of Energy Office of Nuclear Energy is seeking to improve the accident tolerance of light water reactors. Alumina-forming ferritic alloys (e.g., FeCrAl) are one of the leading candidate materials for fuel cladding to replace traditional zirconium alloys because of the superior oxidation resistance of FeCrAl. However, there are still some unresolved questions regarding irradiation effects on the microstructure and mechanical properties of FeCrAl at end-of-life dose levels. In particular, there are concerns related to irradiation-induced embrittlement of FeCrAl alloys due to secondary phase formation. To address this issue, Oak Ridge National Laboratory has developed a new experimental design to irradiate shortened cladding tube specimens with representative 17×17 array pressurized water reactor diameter and thickness in the High Flux Isotope Reactor (HFIR) under relevant temperatures (300–350°C). Post-irradiation examination will include studies of dimensional change, microstructural changes, and mechanical performance. This report briefly summarizes the capsule design concept and the irradiation test matrix for six rabbit capsules. Each rabbit contains two FeCrAl alloy tube specimens. The specimens include Generation I and Generation II FeCrAl alloys with varying processing conditions, Cr concentrations, and minor alloying elements. The rabbits were successfully assembled, welded, evaluated, and delivered to the HFIR along with a complete quality assurance fabrication package. Pictures of the rabbit assembly process and detailed dimensional inspection of select specimens are included in this report. The rabbits were inserted into HFIR starting in cycle 472 (May 2017).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Measurement of Plutonium Ratios for CRM 137A Recertification

This report documents the analytical methodologies used by the Chemical and Isotopics Mass Spectrometry (CIMS) Group at the US Department of Energy’s Oak Ridge National Laboratory (ORNL) for plutonium isotopic ratio characterizations on purified ~1 mg units prepared by Lawrence Livermore National Laboratory (LLNL) from a mother solution created from an existing 250 mg unit of certified reference material (CRM) 137. The analytical processes described are designed to maintain traceability of the final certified attributes and to eliminate sources of systematic bias for the measurements described. The measurands for certification are the plutonium isotope ratios: 238 Pu/ 239 Pu, 240 Pu/ 239 Pu, 241 Pu/ 239 Pu, and 242 Pu/ 239 Pu. The preparation and analytical process included the following activities: Preparation of reference materials to be used as calibrants to establish traceability to the SI unit of mass for the isotopic analyses and quality controls. For the plutonium isotopic analyses, CRM 128 (a CRM comprising equal atoms of 239 Pu and 242 Pu) was used as the primary calibrant; Each CRM 137A unit was reconstituted using dilute high-purity HNO3. From each, seven replicates were distributed for the isotopic characterizations by thermal ionization mass spectrometry (TIMS) using the total evaporation (TE) method for isotope ratio measurements and MC-ICP-MS using a dynamic peak hooping method for secondary isotope ratio measurements; Due to time delay in the analyses from the last purification of the original CRM 137 mother solution by LLNL, an aliquot of the three provided plutonium units was purified using Eichrom TEVA separation methods to remove americium in-growth and uranium impurities; Minimally corrected data were reported from each analysis using reporting templates provided by the New Brunswick Laboratory Program Office (NBL PO) for the specific methods used for isotopic measurements. In addition, a copy of the instrument exports, Excel templates for isotopic data corrections, and the uncertainty budgets completed with the GUM Workbench software package were submitted to NBL PO.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

An Open-Access Nuclear Knowledge and Innovation Toolkit to Make Use of Nuclear World and Increase Collaboration

Nuclear engineering began as an urgent weapons development program in the early 1940s, involving work in enrichment, reactor design, shielding design, and isotope production. This work led to investigations of peaceful uses of nuclear technology, including nuclear power production and applications of radiation. Such peaceful technologies, often derived from experience gained through the weapons program, often maintained some level or attitude of secrecy. As the field continued to develop, that secrecy led to different specializations developing with different sets of terminology and methods of computation. For example, radiation safety used buildup and shielding factors while reactor designers use diffusivity and cross sections. Impressive amounts of work went into theory and application development in each sub-field over the next few decades, with much of the work left without adequate documentation or with important documentation made only within the organization. This situation has led to a loss of knowledge and experience, a lack of collaboration across nuclear sub-fields, and immense amounts of time and effort spent on redundant work. This paper proposes an open-access system that combines preserving and passing on the knowledge in all nuclear sub-fields with tools to make that knowledge useful, referred to as the Nuclear Knowledge and Innovation Toolkit (NuKIT). Knowledge would be captured in user-entered and expert-verified databases of reactors, applications of radiation, isotope production methods, and other pertinent nuclear information complete with technical information and tags that can be used to organize and investigate the data. Tools include community tools like forums and the ability to create collaborative projects; visualization and presentation tools; and an online programming system that allows code sharing, collaborative editing, database manipulation, and integration with all other tools. Finally, NuKIT is envisioned to include commercialization tools to allow freelance work and to compensate data entry/moderation work to help encourage participation. Eventually, integration with industry-standard tools like MCNP, SCALE, etc. is expected. This paper will present some proposed work in the context of its use for isotopes and radiation application, as well as possible work to be done in the context of the Combined Materials Experimental Toolkit (CoMET) being developed by the Nuclear Science User Facilities (NSUF) program. It should be noted that any work done towards this system, by any group, will advance the full system. It should also be noted that similar work previously done can be integrated into NuKIT.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗