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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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DOE OSTI2021

Mini minutes for a mini CSEWG Virtual mini-CSEWG Meeting 16-19 August, 2021

This meeting is a collaboration meeting of the Cross Section Evaluation Working Group (CSEWG), a collaboration including members from various DOE NNSA and non-NNSA laboratories as well as several university groups that support these laboratory missions. The focus of this meeting will be preparations for the next major release of the ENDF/B nuclear data library. The ENDF/B library is the main neutronics library used in various US neutronics codes such as MCNP and SCALE for advance reactor work, safeguards, stockpile stewardship, etc.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

ASME Code Rules and ASTM Standards Integration for Ceramic Composite Core Materials and Components 1

Fiber-reinforced ceramic matrix composites have many desirable properties for high-temperature nuclear applications, including excellent thermal and mechanical properties and reasonable to outstanding radiation resistance. Over the last 20 years, the use of ceramic composite materials has already expanded in many commercial nonnuclear industries as fabrication and application technologies mature. The new ASME design and construction rules under Section III, Subsection HH, Subpart B lay out the requirements and criteria for materials, design, machining and installation, inspection, examination, testing, and the marking procedure for ceramic composite core components, which is similar to the established graphite code under Section III, Subsection HH, Subpart A. Moreover, the general requirements listed in Section III, Subsection HA, Subpart B are also expanded to include ceramic composite materials. The code rules rely heavily on the development and publication of standards for composite specification, classification, and testing of mechanical, thermal, and other properties. These test methods are developed in the American Society for Testing and Materials Committee C28 on Advanced Ceramics with a current focus on ceramic composite tubes. Details of the composites code, design methodology, and similarities to the graphite code, as well as guidance for the development of specifications for ceramic composites for nuclear application and recent standard developments, are discussed. The next step is to "close the gap" to support licensing aspects by validating the code with benchmarking data.

Geringer, Josina↗
DOE OSTI2022

Particle Swarm Optimization Algorithm for Critical Experiment Design

Nuclear criticality experiments are used to validate nuclear cross section data used by simulation software. This is typically achieved by designing a critical system with a high sensitivity to a certain material’s cross section. Once the experiment has been carried out, a high fidelity model of the system is developed into a benchmark. When this benchmark model is simulated by a transport code, some of the difference between the experimental and computational effective neutron multiplication factor can be attributed to inaccurate nuclear data. Nuclear data evaluators then can make adjustments accordingly to improve cross section data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Water chemistry in flume channel and hyporheic zone (i.e., porewater) associated with: “Rethinking Aerobic Respiration in the Hyporheic Zone Under Variation in Carbon and Nitrogen Stoichiometry”

Dissolved oxygen (DO), total organic carbon (TOC), total nitrogen (TN), molecular data for organic matter, and biochemical reactions for surface water and porewater (i.e., hyporheic zone) collected from a water recirculating flume located at the University of Texas, Austin. The flume contained real river water from Lower Colorado River(Austin, TX) and clean sand. Hyporheic exchange in the flume was induced through The study aims to understand relationships between aerobic metabolism of organic matter and molecular characteristics of organic matter, such as thermodynamic signature and nitrogen content, through the extent of the hyporheic zone at 10 cm- resolution, and through time. During the experiment, organic matter (dry leaves) was added to the flume and removed after 24 hours. The water samples were collected before the addition of leaves, at the time of removal of leaves, and at hour 72. The water samples were analyzed using ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) and total organic carbon (TOC) and total nitrogen (TN) analysis. Dissolved oxygen content throughout the surface water and the hyporheic zone of the flume was measured with a large planar optode. This data package is associated with the publication ’ Rethinking Aerobic Respiration in the Hyporheic Zone Under Variation in Carbon and Nitrogen Stoichiometry’ published in Environmental Science and Technology (Turețcaia et al., 2023 https://doi.org/10.1021/acs.est.3c04765). The dataset is comprised of five folders (1) Diss_O2_pic, (2) input_files (3) output_files; (4) python_code; and (5) R_code . Diss_O2_pic contains siximages of dissolved oxygen distribution in a bedform at hours 0, 24, and 72 of the experiment conducted in a large recirculation flume. Images are in separate R and G channels (i.e., RGB). The input_files contains (1) a csv file with FTICR peaks identified within each sample, (2) a csv file with molecular information pertinent to FTICR data with Gibbs free energy calculations adjusted for environmental temperature, (3) a csv file containing concentrations of non-purgeable organic carbon measured throughout the experiment , (4) a csv file containing concentrations of total nitrogen measured throughout the experiment, (5) a csv file containing total biochemical reactions (i.e., transformations) identified in the dataset, (6) a csv containing transformation profiles, and (7) a csv file containing transformations with formulas, and (8) a jpg file with schematic representation of locations for sample collection. The output_files contains (1) and xlsx file containing percent biochemical reactions containing nitrogen identified across all 39 sample, (2) a csv file of merged FTICR data and molecular information files, (3) a csv files containing average Gibbs free energy within sampling domains and at each sampling location, (4) a csv file with average concentrations of dissolved oxygen across sampling locations at hour 0, (5) a csv file with average concentrations of dissolved oxygen across sampling locations at hour 24, (6) a csv file with average concentrations of dissolved oxygen across sampling locations at hour 72, (7) a csv file with percent chemical classes identified across sampling locations at hour 0, (8) a csv file with percent chemical classes identified across sampling locations at hour 24, (9) a csv file with percent chemical classes identified across sampling locations at hour 72, and (10) a csv file containing percent nitrogen containing biochemical reactions identified across sampling locations at hours 0, 24, and 72. The python_code contains seven ipynb files which are Jupyter Notebooks used for data analysis and figures generation. The R_code contains 3 R files with R code used for data analysis and figures generation. This data package contains the processed data used in the associated manuscript. This data has not been previously published.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

OECD/NEA MPCMIV Benchmark - Preliminary fuel performance results

The on-going OECD/NEA Multi-physics Pellet Cladding Mechanical Interaction Validation (MPCMIV) benchmark aims to provide guidance on multi-physics validation through the modelling of two cold ramps. In this paper, the first results for the base irradiation of the father rod and fuel rodlet (refabricated from the father rod), and the first cold ramp are presented. The base irradiation consists of 3 years of irradiation in the Forsmark-2 reactor. The cold ramp encompasses a steady-state pre-ramp period of less than one hour at a low constant linear heat rate (LHR) followed by a ramp test (< 1 min) with a much higher maximal LHR. The base irradiation is modelled using the fuel performance codes FRAPCON and FAST, while the cold ramp modeling is using the fuel performance code FRAPTRAN. Several missing parameters for FRAPCON/FAST base irradiation models have been selected using multiple references such as the OECD/NEA light water reactor Uncertainty Analysis in Modelling (UAM) benchmark specifications and the FRAPCON Integral Assessment report. The obtained results for the base irradiation such as the cladding outer diameter show reasonable agreement with the experimental measurements. The results for the cold ramp show larger differences with the experimental measurements (e.g., cladding axial elongation). However, such differences have been observed as well in other studies involving pellet cladding mechanical interaction analyses and are attributed to the fuel performance modelling assumptions and to the tuned modelling parameters that were not covered by the specifications. Uncertainty and sensitivity analysis might allow a better quantification of these missing parameters. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

ANTARES: a new IRSN computational chain for safety analysis

Since some years, the IRSN has developed a new project to simulate accurately the interaction between neutronic and thermal hydraulic phenomena. This project called ANTARES (Advanced Neutronics and Thermal-hydraulic for the Analysis of Reactor Safety) couples the thermal hydraulic code CATHARE-3 with the 3D neutronic nodal code PARCS. The purpose of this project is to take the advantage of the complementary of these 2 codes, by the knowledge of the 3D core power distribution in CATHARE-3 (computed by PARCS) and improving the thermal hydraulic boundaries conditions in PARCS. In this way, the IRSN diversifies and enlarges its available tools to perform safety analysis with improved accuracy. The current technique usually adopted in France for the safety demonstrations for Reactivity Insertion Accident (RIA) is the so-called 'conservative' approach, which consists of reducing all the feedback (Doppler and moderator effects) and in modifying some physical quantities in such a way to increase a power peak. For this reason, these facilities ('penalties') have been implemented in ANTARES. In this paper we will give two examples of accidental transients that can be simulated with ANTARES: a Main Steam Line Break (MSLB) and an inadvertent boron dilution event. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Development of uncertainty-aware equation-of-state models: Application to copper

Sophisticated hydrodynamic codes are commonly used to understand and predict events relevant to natural and applied sciences. The degree to which these simulations reflect reality, however, is dependent on how well we understand the materials and underlying physics involved. These research communities need material models that communicate the uncertainty in the physical properties, which at their basest form comes from the uncertainty in the underlying experimental measurements. Additionally, we have constructed a new framework for using both experimental measurements and the associated experimental uncertainties to build equation-of-state models that reflect not only current best measurements but also the accuracy of those measurements. This method had been used to construct an ensemble of equation-of-state models for copper that communicates the experimental uncertainties in the data through the equation-of-state model, which is available for application in any simulation metric of interest.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Measurements of inner-shell excited levels of Na-, Mg-, and Al-like europium on the LLNL EBIT

We report on a measurement of several n = 3 → n = 2 inner-shell transitions in sodiumlike, magnesiumlike, and aluminumlike europium, performed at the EBIT-I electron beam ion trap facility at the Lawrence Livermore National Laboratory using an x-ray calorimeter. Although the inner-shell x-ray lines of such M-shell ions are typically dominated by electric dipole allowed transitions, we have also identified a weak feature that appears to be the result of electric quadrupole decay in sodiumlike Eu 52+ . Here, we compare the measured transitions energies to the calculated values obtained using the flexible atomic code. We find agreement in most cases within 2 eV or better.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Simulations of future particle accelerators: issues and mitigations

The ever increasing demands placed upon machine performance have resulted in the need for more comprehensive particle accelerator modeling. Computer simulations are key to the success of particle accelerators. Many aspects of particle accelerators rely on computer modeling at some point, sometimes requiring complex simulation tools and massively parallel supercomputing. Examples include the modeling of beams at extreme intensities and densities (toward the quantum degeneracy limit), and with ultra-fine control (down to the level of individual particles). In the future, adaptively tuned models might also be relied upon to provide beam measurements beyond the resolution of existing diagnostics. Much time and effort has been put into creating accelerator software tools, some of which are highly successful. However, there are also shortcomings such as the general inability of existing software to be easily modified to meet changing simulation needs. In this paper possible mitigating strategies are discussed for issues faced by the accelerator community as it endeavors to produce better and more comprehensive modeling tools. This includes lack of coordination between code developers, lack of standards to make codes portable and/or reusable, lack of documentation, among others.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Application of GOTHIC to Groundwater Transport Analysis - 20152

Migration of pollutants and hazardous wastes, potentially containing radioactive isotopes, via groundwater transport is a concern at most waste cleanup sites. Predictive analysis can be used to evaluate mitigating actions intended to minimize impact on the environment and public exposure. GOTHIC is a multipurpose thermal hydraulics code that is used extensively in the nuclear industry for design, licensing and operation evaluations. It combines the capabilities of typical one-dimensional system codes and the essential features of Computational Fluid Dynamics (CFD) codes for three-dimensional analysis. There are other codes that are specifically developed for groundwater transport analysis and the results presented here are consistent with prior analyses. However, GOTHIC has some unique features that offer advantages for applications related to nuclear waste. Most importantly, it has been developed and maintained under a Quality Assurance program in compliance with the requirements of 10CFR50 Appendix B [2] and applicable portions of ASME NQA-1 [3] since 1995. Available GOTHIC capabilities that make the code especially useful for groundwater transport of nuclear materials include: - Tracking of any number of tracer elements for contaminants and other species of interest; - Radioactive decay and progeny of tracer elements; - Adsorption/desorption of tracer elements; - Tracking of any number of dissolved gases; - Release and absorption for dissolved gases; - Vapor phase tracking; - Non-Newtonian fluid modeling. The general porous body modeling approach makes GOTHIC well suited to groundwater transport analysis. The multi-region modeling approach used by GOTHIC simplifies model construction for regions of varying hydrologic characteristics and focuses the computational effort on regions of particular interest while simultaneously capturing the macroscopic response and any feedback effects across the larger domain. The applicability of GOTHIC to groundwater transport applications is demonstrated by comparing code results with available analytic or semi-analytic solutions for groundwater behavior. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

P2M Simulation Exercise on Past Fuel Melting Irradiation Experiments

This paper presents the results of the Power To Melt and Maneuverability (P2M) Simulation Exercise on past fuel melting irradiation experiments, organized within the Organisation for Economic Co-operation and Development/Nuclear Energy Agency Framework for IrraDiation ExperimentS (FIDES) framework by the Core Group (CEA, EDF, and SCK·CEN) and open to all FIDES members. The exercise consisted in simulating two past power ramps where fuel melting was detected: (1) the xM3 staircase power transient [ramp terminal level (RTL) 70 kW·m -1 , average burnup 27 GWd·tU -1 ], carried out in 2005 in the R2 reactor at Studsvik (Sweden), where the rodlet maintained its integrity, and (2) the HBC4 fast power transient (RTL 66 kW·m -1 , average burnup 48 GWd·tU -1 ), carried out in 1987 in the BR2 reactor at SCK·CEN (Belgium), where the cladding failed during the experiment. The exercise was joined by 13 organizations from 9 countries using 11 different fuel performance codes. In this paper, the main results of the Simulation Exercise are presented and compared to available postirradiation examinations (PIE) or on-line measurements during the power ramps (fuel and clad diameters, rod elongation, pellet-clad gap, and fission gas release). Since the focus of the Simulation Exercise is on fuel melting assessment, determination of the boundary between melted/nonmelted fuel and the consequent definition of a melting radius from PIE are first discussed. During the HBC4 ramp, fuel melting was predicted by most of the codes despite differences in the melting models. Higher discrepancies were observed for the xM3 rod that can be attributed partly to power uncertainty and partly to the limited capability of the models to describe partial melting of the fuel during this ramp. Finally, possible code developments to improve simulation results are presented.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Establishing capabilities for quantum computing and simulations for energy applications

Quantum information science (QIS) is creating potential transformative opportunities to exploit intricate quantum mechanical phenomena in new ways for obtaining and processing information to advance many areas of science and engineering. Since the National Quantum Initiative Act was signed into law in 2018, developing QIS capability and competency is one of the most urgent tasks of DOE to make sure the US win the quantum race. The QIS contains four pillars: quantum computing, quantum simulations, quantum sensing, and quantum networking. To apply QIS in energy related applications, the key is to develop the capability of quantum computing &amp; simulation tools. In this project, we propose to develop the capability of quantum computing and simulations at NETL to target fossil energy related problems. We will install a simulator (e. g. IBM qiskit) on the NETL supercomputer to simulate the environments of quantum computer. Based on the current available quantum algorithms for quantum chemistry, we will develop quantum computing codes to perform simulation which will focus on fossil energy sector challenges, including CO2 capture &amp; conversion, sensing, and fuel conversion. We then will seek opportunities to run our codes on real quantum computers (such as IBM-Q, google Sycamore, etc.). Through this project, the new capability of quantum computing and simulations will be established at NETL. In addition, the NETL workforce in this area will be trained ready to conduct more complicated tasks in line with NETL missions to enhance the nation’s energy foundation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

University of Miami G-band Vapor Radiometer Calibration at SGP during November 2023

From October 13, 2023 until November 16, 2023, the GVR was deployed to the DOE ARM SGP site, to take advantage of their regular near-by radiosonde launches under clear-sky conditions. The latter were determined using the SGP total sky imagery data. The GVR brightness temperatures in these clear-sky conditions were compared to those calculated by a radiative transfer code (PAMTRA) based on the SGP radiosondes. During the campaign, 4 suitable clear-sky episodes occurred that could be used for the GVR calibration. While few in number, these proved to be enough to satisfy our goal.

airborne G-band Vapor Radiometer↗
DOE OSTI1995

Nuclear Safety [Vol. 36, No. 2, July-December 1995]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. THE CHORNOBYL ACCIDENT: 195 The Chornobyl Accident Revisited, Part III: Chernobyl Source Term Release Dynamics and Reconstruction of Events During the Active Phase, A. R. Sich; GENERAL SAFETY CONSIDERATIONS: 218 Second ANS Workshop on the Safety of Soviet-Designed Nuclear Power Plants, R. A. Bari; 234 Elements of a Nuclear Criticality Safety Program, C. M. Hopper; 243 Rickover, Excellence, and Criticality Safety Programs, R. E. Wilson; ACCIDENT ANALYSIS: 249 Transient Analysis of the PIUS Advanced Reactor Design with the TRAC-PF1/MOD2 Code, B. E. Boyack, J. L Steiner, S. C. Harmony, H. J. Stumpf, and J. F. Lime; 278 The Hierarchy-By-Interval Approach to Identifying Important Models that Need Improvement in Severe-Accident Simulation Codes, T. J. Heames, M. Khatib-Rahbar, J. E. Kelly, R. P. Jenks-Johnson, and Y.-S. Chen; 290 RELAP5/MOD3 Code Coupling Model, R. P. Martin; 299 Missiles Caused by Severe Pressurized-Water Reactor Accidents, R. Krieg; DESIGN FEATURES: 310 Validation of COMMIX with Westinghouse AP-600 PCCS Test Data, J. G. Sun, T. H. Chien, J. Ding, and W T. Sha; ENVIRONMENTAL EFFECTS: 321 Spent Nuclear Fuel Characterization for a Bounding Reference Assembly for the Receiving Basin for Off-Site Fuel, S. D. Kahook, R. L. Garrett, L. R. Canas, and M J. Beckum; OPERATING EXPERIENCES: 332 Reactor Shutdown Experience, Compiled by J. W. Cletcher; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 335 Reactor Coolant System Blowdown at Wolf Creek on September 17, 1994, J. V. Kauffman and S. L. Israel; RECENT DEVELOPMENTS: 344 Reports, Standards, and Safety Guides, D. S. Oueener; 349 Proposed Rule Changes as of June 30, 1995; ANNOUNCEMENTS: 320 Symposium on Acceptability of Risk From Radiation—Application to Manned Space Flight; 320 24th DOE/NRC Nuclear Air Cleaning and Treatment Conference; 361 Radiation Biology and Radiation Protection— Modern Developments and Tendencies in Radiation Biology; 362 1997 IEEE Sixth Conference on Human Factors and Power Plants; 354 The Authors; 360 Reviewers of Nuclear Safety, Vol. 36.

05 NUCLEAR FUELS↗
DOE OSTI2022

SDSS-IV MaStar: [α/Fe] for the MaNGA Stellar Library from synthetic model spectra

ABSTRACT We calculate the α-enhancement ratio [α/Fe] for the Mapping Nearby Galaxies at APO (MaNGA) Stellar Library (MaStar) while also fitting for the fundamental atmospheric parameters effective temperature, surface gravity, and metallicity – Teff, log g, [Fe/H]. This approach builds upon a previous catalogue of stellar parameters, whereby only the fundamental atmospheric parameters are fit with solar-scaled models. Here, we use the same Markov Chain Monte Carlo method with the additional free parameter [α/Fe]. Using the full spectral fitting code pPXF, we are able to fit multiple lines sensitive to [α/Fe] for a more robust measurement. Quality flags based on the convergence of the sampler, errors in [α/Fe] and a cut in the χ2 of the model fit are used to clean the final catalogue, returning 17 214 spectra and values in the range of −0.25 < [α/Fe] < 0.48. Comparing our calculated [α/Fe] with literature values reveals a degeneracy in cool stars with log g ≥ ∼4; this comparison is then used to create an alternative and calibrated parameter set. We also plot the final catalogue in an [Fe/H] versus [α/Fe] diagram and recover the expected result of increasing [α/Fe] with decreasing [Fe/H] for Milky Way disc-halo stars. We apply our method to a subsample of spectra of uniform resolution and higher signal to noise that finds that our results are independent of this higher signal to noise. In the context of stellar population models, we are able to cover a parameter space for the creation of intermediate to old age models at solar-scaled [α/Fe], high [Fe/H] and enhanced [α/Fe], low [Fe/H].

79 ASTRONOMY AND ASTROPHYSICS↗