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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 235 records · Page 13

Supply Chain of Raw Materials Used in the Manufacturing of Light-Duty Vehicle Lithium-Ion Batteries

This report is a first attempt to integrate raw materials into the CEMAC benchmark framework. Benchmarking raw materials provides a broader view supply chain from mines to the manufacturer of clean energy technologies. This report provides insight into resource location and ownership, global production, demand, and trade, highlighting potential supply chain risks and opportunities. The report focuses on the lithium and cobalt supply chains. It serves as a foundation for incorporating the raw materials link for other clean energy technologies into future benchmark reports.

25 ENERGY STORAGE↗

IER 488: MUSiC Accomplishments and Goals [Slides]

IER-488: Measurement of Uranium Subcritical and Critical (MUSiC) consists of measurements of bare, HEU systems covering a large range of reactivities. Multiple detector systems and analysis methods are being used to obtain detector-independent results. Massive amounts of data and information available. Substantial analysis has been completed for both critical and subcritical configurations. Work in progress is largely novel research and will result in several conference proceedings, journal publications, and a subcritical benchmark. There is still a large amount of data that has not been analyzed and much more to come from the analysis of the Measurements of Uranium Subcritical and Critical.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Navigation Ground Data System Engineering for the Cassini/Huygens Mission

The launch of the Cassini/Huygens mission on October 15, 1997, began a seven year journey across the solar system that culminated in the entry of the spacecraft into Saturnian orbit on June 30, 2004. Cassini/Huygens Spacecraft Navigation is the result of a complex interplay between several teams within the Cassini Project, performed on the Ground Data System. The work of Spacecraft Navigation involves rigorous requirements for accuracy and completeness carried out often under uncompromising critical time pressures. To support the Navigation function, a fault-tolerant, high-reliability/high-availability computational environment was necessary to support data processing. Configuration Management (CM) was integrated with fault tolerant design and security engineering, according to the cornerstone principles of Confidentiality, Integrity, and Availability. Integrated with this approach are security benchmarks and validation to meet strict confidence levels. In addition, similar approaches to CM were applied in consideration of the staffing and training of the system administration team supporting this effort. As a result, the current configuration of this computational environment incorporates a secure, modular system, that provides for almost no downtime during tour operations.

Beswick, R. M.↗

Supply Chain of Raw Materials Used in the Manufacturing of Light-Duty Vehicle Li-Ion Batteries

This report is a first attempt to integrate raw materials into the CEMAC benchmark framework. Benchmarking raw materials provides a broader view supply chain from mines to the manufacturer of clean energy technologies. This report provides insight into resource location and ownership, global production, demand, and trade, highlighting potential supply chain risks and opportunities. The report focuses on the lithium and cobalt supply chains. It serves as a foundation for incorporating the raw materials link for other clean energy technologies into future benchmark reports.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Criticality Experiments to Reduce Compensating Errors in Plutonium Nuclear Data

Compensating errors between nuclear data observables in a library can adversely impact application simulations. The primary goal of the EUCLID project (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) is to reduce compensating errors in nuclear data. A new criticality experiment, described in this work, was designed with the specific target nuclear data of 239 Pu fission, inelastic scattering, elastic scattering, capture, nu-bar, and prompt fission neutron spectrum (PFNS). This work will focus on the design and execution of the EUCLID experiment, performed on the Planet vertical lift critical assembly machine at the National Criticality Experiments Research Center (NCERC). The criticality experiment includes two different configurations with very different geometries: one is cube-like to minimize neutron leakage while the other is slab-like to maximize leakage. Having these two widely varying configurations allows the scattering sensitivities of 239 Pu to the neutron multiplication factor to be greatly changed while minimally impacting the other cross section sensitivities. Both configurations utilize the Pu ZPPR (Zero Power Physics Reactor) plates as fuel. The experiments were designed using a D-Optimality criteria, which is an optimization method minimizing the log-determinant of the adjusted nuclear data covariance for the target reactions. These experiments include not only inference of k eff , as done in all critical benchmark experiments, but several other responses as well, such as neutron multiplication measurements and reaction rate ratios. After analysis of the measured data is complete, adjustment of nuclear data will be performed to assess whether the new experimental data successfully reduced compensating errors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Reactivity Coefficient Measurements to Aid in Reducing Compensating Errors in Plutonium Nuclear Data

Compensating errors between several nuclear data observables in a nuclear data library can adversely impact application simulations. The primary goal of the EUCLID project (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) is to reduce compensating errors between fast (0.1–5 MeV) 239Pu nuclear data for prompt fission neutron spectra (PFNS), average prompt fission neutron multiplicities, and neutron induced fission, capture, elastic, and inelastic cross sections. This work will focus on the design and execution of void reactivity coefficient measurements in the EUCLID experiment, performed on the Planet vertical lift critical assembly machine at the National Criticality Experiments Research Center (NCERC). Two different base configurations were designed and measured, one with high neutron leakage, and one with low neutron leakage. Both were primarily made up of plutonium metal (Zero Power Physics Reactor plates) without interstitial moderators and reflected by half-inch aluminum. Design optimization showed that void reactivity coefficient measurements in three locations per configuration was most impactful to reduce nuclear data uncertainties due to the varying impacts from elastic and inelastic scattering, as well as fission and capture. The locations for measurements were chosen based on preliminary studies which balanced measurement uncertainty and measurement practicality. The measurements were also selected to have sensitivities maximally complementary to previous arrangements. Comparisons across nuclear data libraries highlight the potential impact.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Impacts of Crust Properties on the Waste Feed Delivery of Hanford Tanks with Flammability Concerns - 18161

Mitigation of flammability concerns within Hanford waste tanks is essential to Safe Storage and Waste Feed Delivery sub-functions of the River Protection Project Mission. The tanks that have a higher propensity for the generation, retention, and release of flammable gas are considered Waste Group A tanks. Group A tanks include 241-SY-103, 241-AN-103, 241-AN-104, 241-AN-105, and 241-AW-101. Successful mitigation of flammability concerns in these tanks is necessary, as they are critical to the completion of the River Protection Project Mission as indicated in the Integrated Waste Feed Delivery Plan. The benchmark for examination of tank flammability issues is 241-SY-101. Studies of Tank 241-SY-101 gas release events showed that the mechanism of gas retention and release was highly dependent on the volume and configuration of a floating crust layer. Beginning in 1993, 241-SY-101 underwent water additions and mixer pump operations resulting in dissolution of the crust. These efforts mitigated the flammability concerns of the tank. A similar mitigation approach was recommended for Tank 241-SY103 and is recommended for the other Waste Group A tanks. However, this recommended mitigation will be more or less effective based on the expected thickness of the crust present in each of the Group A tanks. Considerations of flammable gas generation and release mechanisms were essential in the development of a successful mitigation strategy for Tank 241-SY-101, and will be essential in the development of future mitigation strategies. Because crust properties are difficult to measure, tank surface level trends and current temperature profiles are evaluated to understand crust properties. 241-AN-103 and 241-AW-101 are the only two tanks with a net increase in surface level, indicating a higher generation and retention of flammable gas. Additionally, these are the two tanks with the thickest crusts, which causes both a higher retention of gas and a reduced evaporation rate. Given the current temperature profile, crust thickness for 241-AW-101 was re-evaluated to be 145 cm (57 in) ± 30 cm (12 in) which is different from its historic value. This gives 241-AW-101 the thickest crust, second only to 241-SY-101 prior to mitigation. The crust thickness for 241-AN-103, however, retains its historic value of 89 cm (35 in) ± 16 cm (6 in). These crust properties suggest modifications to the mitigation strategy are needed for each tank. For example, 241-AN-103 and 241-AW-101 will require additional water to dissolve the crust layer before flammability concerns are mitigated and further operations could commence. Implementation of the modified mitigation strategies will mitigate flammability issues and help fulfill the Safe Storage and Waste Feed Delivery sub-functions of the River Protection Project Mission safely and efficiently. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Computational and Experimental Benchmarking for Transient Fuel Testing

In 2018 the Transient Reactor Test (TREAT) Facility was restarted. This now-operational facility brings back world-class transient fuel testing capabilities to the U.S. Among a number of parallel efforts prior to the TREAT Facility’s restart a Department of Energy (DoE) Integrated Research Project (IRP) was funded for the purpose of benchmarking the TREAT with several goals in mind: To produce a comprehensive evaluation of existing TREAT Facility neutronics data using the next generation reactor core neutronics codes in accordance with established guidelines per the International Handbook of Evaluated Reactor Physics Benchmark Experiments (IRPhEP). To perform a benchmark using ready-use computational fluid dynamics tools against that of a historically collected sodium loop experiment collected in the TREAT. To design, develop and test a new experimental thermal hydraulic system of a representative TREAT Facility water flow loop. And benchmark the data collected against that produced via RELAP5-3D and TRACE. To develop a comprehensive instrumentation plan for the TREAT Facility by benchmarking performing of advanced in-pile instruments in the Massachusetts Institute of Technology Research Reactor (MITR) and the TREAT. The integrated team brought together collaborating members from three universities including Oregon State University (OSU), the University of Michigan (UM), and Massachusetts Institute of Technology (MIT); three national laboratories, Idaho National Laboratory, Argonne National Laboratory (ANL), and Oak Ridge National Laboratory (ORNL); and two industry partners, TerraPower (TP) and Harris Thermal Transfer Products (HTTP). A brief summary of accomplishments resulting from this IRP includes two filed patents, more than 40 conference papers, two published benchmark reports through IRPhEP, a new representative thermal hydraulic test facility alike the in-pile PWR water flow loop for TREAT and the first advanced instruments tested within the TREAT core upon its restart. The papers presented herein were developed and provide a summary of the significant technical accomplishments which align with the four project’s objectives. The collaborators has significant support from countless parties including the operational and technical staff at TREAT to ensure that their outcomes most impactfully aligned with program needs. Lastly the collaborators would like to acknowledge the fiscal support of the DoE’s Office of Nuclear Energy under work package identification number NU-15-OR-OSU- 0701-01. This report contains selected papers from the Computational and Experimental Benchmarking for Transient Fuel Testing Integrated Research Project.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Godiva 4 CAAS Shielding Benchmark: Pre CED-3A Overview [Slides]

Thiis presentation shows the character of an integral experiment. It covers the question why Godiva 4? Additionally, this presentation touches on the IER 498 benchmark quantity, activities facilitated by IER 498, proposed CED-2 test matrix, and what happened during the IER 498’s gap year.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE FAIR Surrogate Benchmarks Supporting AI and Simulation Research (SBI Surrogate Benchmark Initiative) (Final Report)

Computational Science is being revolutionized by integrating AI and simulation and, in particular, by deep learning surrogate models that can replace all or part of traditional large‐scale HPC computations. Such surrogates can achieve remarkable performance improvements, as much as several orders of magnitude, and save both compute time and energy. The Surrogate Benchmark Initiative (SBI) project creates a community repository and FAIR (Findable, Accessible, Interoperable, and Reusable) data ecosystem for HPC application surrogate benchmarks. The SBI team comes from Argonne National Laboratory (ANL), Indiana University (IU), Rutgers University, the University of Tennessee, Knoxville (UTK), and the University of Virginia(UVA). SBI repositories include data, code, and all relevant collateral artifacts, that the science and engineering community needs to use and reuse these data sets and surrogates. SBI repositories generate active research from both participants in SBI and the broader AI and domain science communities. This project develops surrogates that use several different neural nets to learn and quickly infer the results of simulations and data systems and capture them as surrogate benchmarks with a rich set of metadata, covering. Data; Model; Metrics specification; Machine specification; Science, Speed, Power Results, We research FAIR metadata for these benchmarks. We develop application surrogate examples as benchmarks across many fields (ANL, UTK, IU, UVA). We also study non Surrogate benchmarks that have many common features and similar issues regarding FAIRness. We work with MLCommons (UVA, UTK), which is a major machine learning benchmarking activity where we get metadata ontologies, software, and benchmarks, benchmarks have datasets, models, and metadata, and they need a technical framework developed by UTK and Rutgers and deployed by UVA. We study features of Surrogates, including performance, training set size, and uncertainty quantification (Rutgers, UVA and IU).

97 MATHEMATICS AND COMPUTING↗

Adsorbate Partition Functions via Phase Space Integration: Quantifying the Effect of Translational Anharmonicity on Thermodynamic Properties

A new method for computing anharmonic thermophysical properties for adsorbates on metal surfaces is presented. Classical Monte Carlo phase space integration is performed to calculate the partition function for the motion of a hydrogen atom on Cu(111). Here, a minima-preserving neural network potential energy surface is used within the integration routine. Two different sampling schema for generating the training data are presented, and two different density functionals are used. The results are benchmarked against direct state counting results by using discrete variable representation. The phase space integration results are in excellent quantitative agreement with the benchmark results. Additionally, both the discrete variable representation and the phase space integration results confirm that the motion of H on Cu(111) is highly anharmonic. The results were applied to calculate the free energy of dissociative adsorption of H 2 and the resulting Langmuir isotherms at 400, 800, and 1200 K in a partial pressure range of 0–1 bar. It shows that the anharmonic effects lead to significantly higher predicted surface site fractions of hydrogen.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Parameterizing microphysical effects on variances and covariances of moisture and heat content using a multivariate probability density function: a study with CLUBB (tag MVCS)

Abstract. Microphysical processes, such as the formation, growth, and evaporation of precipitation, interact with variability and covariances (e.g., fluxes) in moisture and heat content. For instance, evaporation of rain may produce cold pools, which in turn may trigger fresh convection and precipitation. These effects are usually omitted or else crudely parameterized at subgrid scales in weather and climate models.A more formal approach is pursued here, based on predictive, horizontally averaged equations for the variances, covariances, and fluxes of moisture and heat content. These higher-order moment equations contain microphysical source terms. The microphysics terms can be integrated analytically, given a suitably simple warm-rain microphysics scheme and an approximate assumption about the multivariate distribution of cloud-related and precipitation-related variables. Performing the integrations provides exact expressions within an idealized context.A large-eddy simulation (LES) of a shallow precipitating cumulus case is performed here, and it indicates that the microphysical effects on (co)variances and fluxes can be large. In some budgets and altitude ranges, they are dominant terms. The analytic expressions for the integrals are implemented in a single-column, higher-order closure model. Interactive single-column simulations agree qualitatively with the LES. The analytic integrations form a parameterization of microphysical effects in their own right, and they also serve as benchmark solutions that can be compared to non-analytic integration methods.

54 ENVIRONMENTAL SCIENCES↗

Validation of Continuous-Energy ENDF/B-VIII.0 16 O, 56 Fe, and 63,65 Cu Cross Sections for Nuclear Criticality Safety Applications

Recently completed cross-section evaluations sponsored in part by the Nuclear Criticality Safety Program were incorporated into the 2018 release of the ENDF/B-VIII.0 cross-section library. Evaluated isotopes of interest to the nuclear data and criticality safety community include 16 O, 56 Fe, and 63,65 Cu. For performance validation, benchmark models defined in the International Criticality Safety Benchmark Evaluation Project Handbook were selected based on energy-integrated k eff sensitivities to total cross sections of interest and compared with experimental values. Of the 102 benchmark configurations that were utilized, 63 are sensitive to 16 O, 32 sensitive to 63,65 Cu, and 25 sensitive to 56 Fe. Selected benchmarks were modeled in SCALE 6.2.3 Criticality Safety Analysis Sequence (CSAS) continuous-energy Monte Carlo k eff calculations with ENDF/B-VII.1, with a hybrid ENDF/B-VII.1 with ENDF/B-VIII.0 data substituted for individual isotopes of interest, and with ENDF/B-VIII.0. ENDF/B-VIII.0 showed improved agreement with experimental k eff for 56 Fe, 63 Cu, elemental copper, and full library substitution while producing lessened agreement for 16 O and 65 Cu. Furthermore, with full library and isotope-specific ENDF/B-VIII.0 performance, a best-case ENDF library was formed by excluding underperforming isotopes’ ENDF/B-VIII.0 data, reverting 16 O and 65 Cu cross sections to ENDF/B-VII.1. This resulted in the average relative deviation between calculated and experimental data improving from 1.45σ for the ENDF/B-VIII.0 library to 1.32σ for the best-case library, relative to benchmark uncertainty.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

New constraint on the Np 237 ( n , γ ) Np 238 integral cross section using the Godiva-IV critical assembly

Accurate knowledge of the 237 Np(n, γ) 238 Np cross section at fast neutron energies is important for applied nuclear science. The presently available experimental data has large disagreements in the fast neutron region. Perform a model-independent measurement of the 237 Np(n, γ) 238 Np integral cross section using a well characterized fast neutron source and compare the result with previous measurements and current nuclear data evaluations. Provide an integral measurement that can be used as a benchmark for current evaluations. Multiple samples of 237 Np were irradiated in the Godiva-IV critical assembly. Following the irradiation, the samples placed in a γ-ray counting setup and the γ-rays emitted from the decay of 238 Np were measured over a time period of approximately 7 days. Multiple γ-ray decay branches of 238 Np were observed. The observed activity of 238 Np was used to calculate the amount of 238 Np produced during the irradiation via the 237 Np(n, γ) 238 Np reaction and an integral cross section of 342(11) mb was measured for the Godiva-IV neutron spectrum. Further, the 238 Np half-life has been measured with a result of 50.31(5) hours. The 237 Np(n, γ) 238 Np integral cross section measured in this work is in agreement with overlapping 1σ error bands to ENDF/B-VIII.0. However, the measured value is 3σ away from the calculated integral cross section using JENDL-5. This measurement offers a reliable benchmark for future 237 Np(n, γ) 238 Np cross section evaluations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

The PARADIGM Project: Case Study in Balancing Experiment Uncertainty with Design simplicity

Accurate nuclear data are required for simulations of many applications including nuclear criticality safety. Actinide nuclear data at intermediate energies (from 1 to 100s of keV) are imprecise and inaccurate, because of scarce differential data, and an insufficient theory approach to capture the structures expected in the data to yield evaluated nuclear data, and lack of integral data for proper validation. This is a known deficiency but has proved challenging to address. More specifically, only 5% of integral experiments in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmark suite address intermediate energies (Fig. 1). Associated calculated effective multiplication factor, k eff , values for these experiments are far outside the experimental uncertainties and are 25× further from experiment than for fast energies. These differences could either stem from systematic biases in nuclear data, experiments or both. The goal of the PARADIGM (PARallel Approach of Differential and InteGral Measurements) project is to significantly reduce (by more than tens of percent) the uncertainties of intermediate energy actinide nuclear data. The PARADIGM project designed and intends to execute LANSCE (Los Alamos Neutron Science CEnter) and NCERC (National Criticality Experiments Research Center) intermediate experiments in parallel. They will specifically address a high priority nuclear data need—reducing bias and uncertainty in intermediate plutonium nuclear data. The two experiment will achieve that by informing each other and nuclear theory. By doing all these steps in parallel, the timeline to deliver improved nuclear data to users will significantly be reduced. This work will focus on the integral experiment final design and the balance of design and modeling simplicity while minimizing experiment uncertainty.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Simulating Nonlinear Deformations of Solar Sail Membranes Using Explicit Time Integration

In this study, the explicit time integration method is employed to predict deformation of highly flexible solar sail structural components. The nonlinear static analysis of a highly flexible ribbon structure is presented to demonstrate the need for having the explicit time integration method in the analysis toolbox for solar sail. Static analyses of the ribbon structure produce ambiquous results whereas the explicit time integration method determines the correct results. Extensive benchmarking examples are also presented to build confidence in the use of the explicit method. Previously determined nonlinear wrinkling deformations of solar sail membranes are found by the explicit method. As the explicit method is known to often require more computational time than nonlinear static methods, a study on mass scaling was also conducted. The computational times are reported for the nonlinear static and explicit time integration solutions to calibrate the advantage of using mass scaling for these problems.

Wang, John T.↗

Status of HEU-Pb in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook

The Department of Energy invests tens of millions of dollars each year to develop the next generation of nuclear engineering modeling & simulation (M&S) tools. These tools are used to analyze advanced reactor designs and the safety of current nuclear operations. As computers become more powerful, we are able to enhance resolution in our calculations. This improved resolution is taking us to a point where the limitations of simulation capability are in the quality of data, including our ability to quantify the uncertainty and sensitivity of the data. In order to model systems of interest with increasing accuracy, the industry must improve key nuclear data measurements. Thus, M&S tools need evaluated and quality-assured experimental data for validation purposes. The International Criticality Safety Benchmark Evaluation Project (ICSBEP) compiles and evaluates experiment data in a handbook that can be used by criticality safety engineers and others to validate computer codes and cross-section libraries at nuclear facilities. Both critical and subcritical experiments are included in the handbook. Figure 1 organizes all the benchmark evaluations that have been performed by the isotope of interest, in this case Pb, and the average neutron energy the system. Compared to other isotopes of interest for nuclear applications, there are few benchmark evaluations for Pb systems. The lack of integral measurements to determine errors in Pb cross-section data has caused the latest nuclear cross-section libraries to over/underestimate k eff compared to experimental results. Therefore, this evaluation fills an important knowledge gap in benchmark evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗