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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Sensitivity Study of Multiscale and Phenomenological Elasto-Viscoplastic Grade 91 Material Models for Component-Scale Response

Many advanced nuclear reactor concepts currently being developed are targeting higher operating temperatures relative to the current fleet of light water nuclear reactors, for efficiency gains and other operational considerations. The design of high temperature structural components with reliable long-term operational performance will depend on material models that accurately capture the inelastic deformation mechanisms active in these environments. In this work, we perform a detailed parameter sensitivity analysis of two unified elasto-viscoplastic Grade 91 material models capable of capturing long term high temperature creep deformation. The first model is a phenomelogical material model from the Nuclear Engineering Material Library (NEML) developed at Argonne National Lab. The NEML model parameters and their uncertainty were fit to a range of Grade 91 experimental data using Bayesian Markov Chain Monte Carlo analysis. The second model is a LAROMance data-driven surrogate material model developed at Los Alamos National Lab. The LAROMance model is fit to a large database of responses produced by a mechanistic crystal plasticity based polycrystal model. Parameters for the LAROMance surrogate material model reflect the pedigree of the Grade 91 microstructure. Both material models have been integrated into the Grizzly code, based on the open-source MOOSE multiphysics simulation framework, to simulate both the progression of aging mechanisms and the effects of that aging on nuclear power plant structures. Grizzly is used analyze a three-dimensional Grade 91 piping system to compare the long-term inelastic response predicted by these two fundamentally different models and assess the sensitivity of the material model input parameters on this quantity of interest.

42 ENGINEERING↗
DOE OSTI2021

Simulation-based methodology to assess the lattice defects creation as energy storing process

In nuclear industry, damages caused to in-core structural materials by high-energy neutrons have been studied for years. Recently, the possibility of storing energy through the creation of defects in crystalline materials via heavy particle bombardment was investigated. To evaluate the potential of the Wigner effect as energy-storing process, a graphite-moderated Molten Salt Reactor was adopted as a test case. Neutronics simulations performed with OpenMC Monte Carlo code allowed estimating the amount of energy released during fission events, the fraction that is deposited in graphite, and the fraction that has the potential to cause radiation damages. Additionally, molecular dynamics simulations were then performed to study the evolution of cascades triggered by high-energy neutrons. As a major outcome, a more accurate estimate of the radiation damage with respect to the traditional approaches was obtained, and the fraction of the deposited neutron energy that can be stored through long-lived defects was quantified.

25 ENERGY STORAGE↗
DOE OSTI2016

FIELD IMPLEMENTATION PLAN FOR A WILLISTON BASIN BRINE EXTRACTION AND STORAGE TEST

The Energy & Environmental Research Center (EERC) successfully completed all technical work of Phase I, including development of a field implementation plan (FIP) for a brine extraction and storage test (BEST) in the North Dakota portion of the Williston Basin. This implementation plan was commissioned by the U.S. Department of Energy (DOE) National Energy Technology Laboratory (NETL) as a proxy for managing formation pressure plumes and measuring/monitoring the movement of differential pressure and CO2 plumes in the subsurface for future saline CO2 storage projects. BEST comprises the demonstration and validation of active reservoir management (ARM) strategies and extracted brine treatment technologies. Two prospective commercial brine injection sites were evaluated for BEST to satisfy DOE’s goals. Ultimately, an active saltwater disposal (SWD) site, Johnsons Corner, was selected because it possesses an ideal combination of key factors making it uniquely suited to host BEST. This site is located in western North Dakota and operated by Nuverra Environmental Solutions (Nuverra), a national leader in brine handling, treatment, and injection. An integrated management approach was used to incorporate local and regional geologic characterization activities with geologic and simulation models, inform a monitoring, verification, and accounting (MVA) plan, and to conduct a risk assessment. This approach was used to design a FIP for an ARM schema and an extracted brine treatment technology test bed facility. The FIP leverages an existing pressure plume generated by two commercial SWD wells. These wells, in conjunction with a new brine extraction well, will be used to conduct the ARM schema. Results of these tests will be quantified based on their impact on the performance of the existing SWD wells and the surrounding reservoir system. Extracted brine will be injected into an underlying deep saline formation through a new injection well. The locations of proposed extraction and injection wells were selected during the Phase I efforts. These wells will be permitted as North Dakota Administrative Code Underground Injection Control Class II wells and will yield additional characterization data which will further refine the FIP in Phase II. An array of surface and downhole monitoring techniques will validate ARM performance against predictive simulation results. Infrastructure will be constructed to manage extracted fluids at the surface and provide brine to a treatment test bed facility. Treatment of extracted brine can provide a means of reducing extracted brine disposal volumes, an alternate source of water, and/or salable products for beneficial use. A test bed facility will be constructed to provide a means of demonstrating these technologies on a wide range of brine concentrations. Screening criteria based on a techno-economic and life cycle assessment were developed to select high-salinity brine treatment technologies for extended duration treatment (30–60 days) in Phase II. A detailed cost assessment determined total implementation costs for BEST of $19,901,065 million (DOE share $15,680,505). These costs are inclusive of all necessary equipment, infrastructure construction, operations and project closeout costs required to implement BEST. An ideal combination of key factors makes the Johnsons Corner site uniquely suited to be the BEST demonstration.

10 SYNTHETIC FUELS↗
DOE OSTI2025

Urban weather modeling using WRF: linking physical assumptions, code implementation, and observational needs

The Weather Research and Forecasting (WRF) model includes urban schemes that simulate the influence of urban surfaces on the atmosphere using parameterizations for flux, and radiative exchanges. Three core schemes – the Bulk urban parameterization, Single-Layer Urban Canopy Model (SLUCM), and Multi-Layer Urban Canopy Model (MLUCM) – represent increasing levels of complexity. Although the parameterizations within these urban schemes are described in the literature, their specific implementation remains poorly documented, thus slowing down model development efforts. This manuscript provides a roadmap to the three urban schemes in WRF version 4.5.2, presenting equations using the same symbols as in the model code, along with references to code lines, and including graphics and explanations that connect the code to its physical foundations. Our thorough review of the urban parameterizations implemented in WRF version 4.5.2 highlighted a handful of parameters that may introduce discontinuities in simulations: (i) in the SLUCM, a 1 mm h −1 rain rate threshold is employed to switch between two minimum moisture availability parameterizations, thus impacting latent heat flux calculations; (ii) in the SLUCM a threshold is used to partition shortwave radiation into direct and diffuse components; (iii) in all three urban schemes, the bulk Richardson number is employed to select the similarity function, which influences the vertical distribution of heat and momentum. We also identified a highly simplified treatment of the radiative balance on roof surfaces. The implications of these simplifications can be assessed through targeted observations across relevant conditions, including varying precipitation rates, cloud cover, and transitions between stability regimes. Furthermore, the widespread application of the Monin-Obukhov similarity theory in these urban schemes warrants model evaluation under highly stable and unstable conditions and in heterogeneous urban settings with variable land cover and building heights on scales finer than model resolution. To address these challenges, we offer guidance on observational strategies, emphasizing the need for multi-parametric measurements to capture potential compensating biases and multi-height measurements that align with the levels where quantities are diagnostic and prognosed in the model (i.e., the lowest atmospheric level of the WRF model). Finally, our inspection of the code revealed implementation bugs that have now been corrected in WRF versions 4.6.0 and 4.6.1. Sensitivity tests over the Atlanta urban area show that these corrections affect surface temperatures, underscoring the importance of performing rigorous documentation and verification of the implementation of parameterizations in model code.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Development and Experimental Validation of a Heat Transfer Model for Spilled Molten Salt Pools

A spill of radionuclide-bearing molten salt is one of the major postulated events that needs to be analyzed for liquid fluorine salt-cooled high-temperature reactor (FHR) or molten salt reactor licensing purposes. In this postulated event, radioactive source term materials (RSTMs) in the molten salt are discharged from the reactor vessel to the reactor building. The release of RSTMs from the spilled salt pool to the gas space in the reactor building is expected to be controlled by the cooling behavior of the spilled salt, including the growth and shrinkage of the solid crust on the surface of the spilled salt pool. This paper presents a simulation model for spilled salt pool heat transfer and validation efforts. The validation data come from two molten salt spill tests that were performed recently: the PELE2 test by the Rapid Experimental Laboratory of Kairos Power LLC (KP) and the Argonne salt cooling test conducted by Argonne National Laboratory. The former was a large-scale test involving kilograms of molten spilled FLiNaK salt, and the latter was a relatively smaller-scale test targeting various processes associated with a salt spill event. Both tests generated valuable data sets that can be used to assess salt cooling and validate evaluation models. This paper provides a new one-dimensional model that can simulate the cooling process of a spilled salt pool as well as the thermal responses of heat structures, such as the stainless steel liner and the concrete below the salt. The model has been implemented as part of KP-SAM code, which is a branch of the systems code SAM specific to KP FHR. In conclusion, the simulation results of the model are compared with the data of the PELE2 and Argonne tests, and reasonable agreements are observed between the model and test data.

heat transfer model↗
DOE OSTI2020

Risk-Informed Safety Analysis for Accident Tolerant Fuels

Accident Tolerant Fuels (ATF) are being tested by different nuclear vendors and research organizations and their introduction in the US light water reactors fleet is planned for the second half of the 2020`s. In the framework of the US-DOE Light-Water Reactor Sustainability program, Risk-Informed Systems Analysis pathway, researches are being conducted at the Idaho National Laboratory for developing tools and methods that can help the industry quantifying the benefits from the adoption of ATF technology. In this paper we describe the developed risk-informed methodology including the safety analysis codes improvements, and we present some results for selected accident scenarios. The developed methodology combines INL state-of-the-art deterministic Best Estimate code RELAP5-3D, and Probabilistic Risk Analysis tools RAVEN and SAPHIRE. The analyses are performed on a three-loops pressurized water reactor, simulating Station Blackout and LB-LOCA accidents and considering near-term ATFs, or FeCrAl and Chromium-coated clads. Finally, we show how, applying our methodology, the new Core Damage Frequency can be assessed. The results indicated that the main benefits in introducing near-term ATFs concern a significant reduction in the hydrogen production during accident conditions. No significant Core Damage Frequency reduction was found.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

WE-EF-207-11: Energy and Depth Response of Thermoluminescent Dosimeters and Ionization Chambers in Water for Kilovoltage X-Ray Beams

Purpose: To assess the effects of changes in beam quality on detector response in the kilovoltage energy range by modulating the x-ray tube voltage and the measurement depth in water. Methods: Measurements were performed with TLD-100 and TLD-100H thermoluminescent dosimeters and an A12 farmer-type ionization chamber. To assess the energy response of the detectors, irradiations were performed at a depth of 3 cm in a custom-built thin-window water phantom using the moderately filtered x-ray beams at the UWADCL (20 kVp-250 kVp) and a Co-60 beam.The x-ray beams and detectors were modeled using the EGSnrc Monte Carlo code. The model was validated by simulating dose to the collecting volume of an A12 farmer chamber and comparing it with measured A12 signal as a function of depth. Dose was tallied to each detector and to water for comparison with measurements. Simulations were used to calculate the predicted energy response, which was compared to the measured response of each detector. Dose to each detector and dose to water as a function of depth were also simulated. Results: Detector output per dose to water was found to deviate by up to 15%, 20% and 30% as a function of energy relative to Co-60 for the A12, TLD-100H and TLD-100, respectively. The EGSnrc simulations produced results similar to the measurements for ionization chambers, but discrepancies of up to 30% were observed for TLD-100H. Simulated detector response as a function of depth was found to vary by up to 3%. Conclusion: These results suggest that changes in beam quality in kilovoltage x-ray beams can have a significant impact on detector response. In-water detector response was found to differ from the previously investigated in-air response. Deviations in detector response as a function of depth were less significant, but could potentially cause dosimetric errors if ignored.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Dispersion Validation for Flow Involving a Large Structure

The atmospheric dispersion of contaminants in the wake of a large urban structure is a challenging fluid mechanics problem of interest to the scientific and engineering communities. Magnetic Resonance Velocimetry (MRV) is a relatively new technique that leverages diagnostic equipment used primarily by the medical field to make 3D engineering measurements of flow and contaminant dispersal. SIERRA/Fuego, a computational fluid dynamics (CFD) code at Sandia National Labs is employed to make detailed comparisons to the dataset to evaluate the quantitative and qualitative accuracy of the model. The comparison exercise shows good comparison between model and experimental results, with the wake region downstream of the tall building presenting the most significant challenge to the quantitative accuracy of the model. Model uncertainties are assessed through parametric variations. Some observations are made in relation to the future utility of MDV and CFD, and some productive follow-on activities are suggested that can help mature the science of flow modeling and experimental testing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Decision Support Tool for Solar Energy Cybersecurity Policy and Regulation

The Decision Support Tool helps users address four discrete challenges: (1) complex requirements of relevant codes and standards, (2) technical complexity of solar assets, (3) undefined cyber risk severity, and (4) unclear roles and responsibilities. Content includes an analysis of cyber vulnerability risks, a decision support resource for policymakers to mitigate cyber risks to solar photovoltaic systems, and background resources for informing policy development. A key component of this tool is the Probable Risk Assessment (PRA), based on established, formal variables, models, and consequences, which helps users understand the determined risk and assigned ownership of the physical components. It helps states draw logical lines between vulnerabilities and mitigative solutions, of which some have been further detailed as Cybersecurity Advisory Team for State Solar (CATSS) tools.

14 SOLAR ENERGY↗
DOE OSTI2018

Sensitivity of Regulated Flow Regimes to Climate Change in the Western United States

Water management activities or flow regulations modify water fluxes at the land surface and affect water resources in space and time. We hypothesize that flow regulations change the sensitivity of river flow to climate change with respect to unmanaged water resources. Quantifying these changes in sensitivity could help elucidate the impacts of water management at different spatiotemporal scales and inform climate adaptation decisions. In this study, we compared the emergence of significant changes in natural and regulated river flow regimes across the Western United States from simulations driven by multiple climate models and scenarios. We find that significant climate change-induced alterations in natural flow do not cascade linearly through water management activities. At the annual time scale, 50% of the Hydrologic Unit Code 4 (HUC4) sub-basins over the Western U.S. regions tend to have regulated flow regime more sensitive to the climate change than natural flow regime. Seasonality analyses show that the sensitivity varies remarkably across the seasons. We also find that the sensitivity is related to the level of water management. For 35% of the HUC4 sub-basins with the highest level of water management, the summer and winter flows tend to show a heightened sensitivity to climate change due to the complexity of joint reservoir operations. We further demonstrate that the impacts of considering water management in models are comparable to those that arises from uncertainties across climate models and emission scenarios. This prompts further climate adaptation studies research about nonlinearity effects of climate change through water management activities.

Zhou, Tian↗
DOE OSTI2026

Calculating the space-charge-limited current density for nonplanar geometries by simulating the charge-free electric field

Calculating the space-charge-limited-current density (SCLCD) for a complicated diode geometry often requires computationally expensive particle-in-cell (PIC) codes. Here, this paper addresses this issue by using the charge-free electric field $E_0$ calculated using COMSOL Multiphysics to determine local and global SCLCD. The SCLCD obtained by using the surface average of $|E_0|^2$ on the cathode recovers theoretical results for one-dimensional (1D) planar, cylindrical, and tip-to-tip geometries in appropriate limits. We next compared tip-to-tip calculations with the SCLCD obtained using the PIC code Empire. The SCLCD calculated using COMSOL agreed well with Empire for flatter 1D tip-to-tip geometries and diverged with increasing sharpness. Physically, Empire predicts lower SCLCD than COMSOL because the electrons spread due to concentrated space-charge at the tip, whereas theory assumes that the electrons follow the charge-free electric field lines. We further assess the behavior of the SCLCD for tips protruding from the centers of flat, circular plates of various areas. Larger plate areas with constant tip size recover the 1D planar SCLCD globally and 1D tip-to-tip SCLCD locally, while reducing the difference between Empire and COMSOL calculations since larger plates capture more of the emitted electrons, reducing SCLCD suppression due to beam spreading. These results show that charge-free electric field simulations can be used to determine the SCLCD without needing to simulate particle dynamics in PIC.

Wright, Jack K. [Purdue Univ., West Lafayette, IN ↗
DOE OSTI2024

An international benchmark for wind plant wakes from the American WAKE ExperimeNt (AWAKEN)

This article introduces the first benchmark study within the International Energy Agency Wind Task 57 framework, focusing on wind plant wakes. Leveraging data from the American WAKE ExperimeNt (AWAKEN), the benchmark aims to assess the accuracy of simulation tools in modeling wind plant wakes and their impact on the downstream flow under diverse inflow conditions. The AWAKEN field campaign, conducted in Oklahoma from 2022 to 2024, provides unprecedented observations of wind plant-atmosphere interactions, thus offering a large dataset to validate numerical models of different complexity. The benchmark will include three phases—code calibration, blind comparison, and iteration—allowing participants to refine their numerical models based on the feedback from the benchmark team. This article describes the benchmark case study selected from observations providing details on atmospheric conditions, wake evidence, and wind turbine operation. The benchmark’s structure and timeline, along with the expected publication of results, are discussed as well. This collaborative effort aims to enhance the accuracy of wind plant wake simulations, thus contributing to the improvement of wind energy production estimates.

17 WIND ENERGY↗
DOE OSTI2020

Internal Radiation Dose Evaluation For An Unruptured Post Release Tristructural Istropic Fuel Particle for Advanced and Micro-reactor Applications

There are unique benefits from advanced/micro reactor designs and fuel types that offer safety features in the case of an accident that may reduce environmental consequences compared to conventional reactors and fuels. Several micro reactor designs, for both civilian and military applications, are proposed using tristructural-isotropic (TRISO) fuel. TRISO particles are a robust advanced nuclear fuel type that leads to the unique question of how unruptured, activated TRISO particles will interact with humans. Human exposure to nuclear fuel, or radionuclides, includes all pathways of exposure. However, TRISO particles are 0.9 mm in size, and that particle size restricts internal dose assessment to the ingestion pathway; eliminating the inhalation and dermal absorption pathways. Furthermore, activity of the TRISO particle was established by High Temperature Engineering Test Reactor simulations assuming the TRISO particle was one day post-release from the reactor. International Commission of Radiological Protection publications 100 and 133 were used to develop the internal dosimetry model for an unruptured TRISO particle for the International Commission of Radiological Protection reference male and female dose assessment. The rectosigmoid colon had the highest internal organ dose for both reference male (2.1 Sv) and reference female (2.3 Sv). The internal dose from ingestion of the scenario-defined TRISO particle was 0.25 Sv for the reference male and 0.29 Sv for the refence female, which exceeds the annual occupational effective dose limit of 0.05 Sv in the code of federal regulations, 10.CFR.20 Subpart C.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2017

Evolution of a proto-neutron star with a nuclear many-body equation of state: Neutrino luminosity and gravitational wave frequencies

In a core-collapse supernova, a huge amount of energy is released in the Kelvin-Helmholtz phase subsequent to the explosion, when the proto-neutron star cools and deleptonizes as it loses neutrinos. Most of this energy is emitted through neutrinos, but a fraction of it can be released through gravitational waves. We model the evolution of a proto-neutron star in the Kelvin-Helmholtz phase using a general relativistic numerical code, and a recently proposed finite temperature, many-body equation of state; from this we consistently compute the diffusion coefficients driving the evolution. To include the many-body equation of state, we develop a new fitting formula for the high density baryon free energy at finite temperature and intermediate proton fraction. Here, we estimate the emitted neutrino signal, assessing its detectability by present terrestrial detectors, and we determine the frequencies and damping times of the quasinormal modes which would characterize the gravitational wave signal emitted in this stage.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Deep Direct-Use Feasibility Study Reservoir Productivity Uncertainty Analysis for the Tuscarora Sandstone, Morgantown, WV

This dataset contains figures that summarize the Tuscarora Sandstone core permeability data collected from the Preston 119 well in Preston County, WV, and summary results of a stochastic analysis that was used to estimate reservoir productivity for the currently unexplored Tuscarora Sandstone below Morgantown, West Virginia. Uncertainties in reservoir productivity considered the thickness of the reservoir, rock permeability, and fluid viscosity. A Monte Carlo analysis of these uncertain properties was used to predict reservoir flow productivity for the case of a matrix-dominated reservoir, and a fracture-dominated reservoir. These results are summarized in figures, spreadsheets, and maps.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Assessment of tritium effluent from Prototype Generation IV Sodium-cooled Fast Reactor

We report a tritium transport model for a pool-type sodium cooled fast reactor was developed for estimation of tritium effluents from the Prototype Generation IV Sodium-cooled Fast Reactor (PGSFR). For this purpose, the transport model developed for Experimental Breeder Reactor II and Fast Flux Test Facility was updated and validated. The tritium production rate from ternary fission and activations in PGSFR were calculated by the Argonne Reactor Computation (ARC) code suite for fast reactor analysis, and due to the potential uncertainties in source terms and variations of cold trap performance and material permeability during reactor operation, the tritium distributions and tritium effluents were estimated for several bounding cases. The upper bounding gaseous and liquid tritium release rates from PGSFR are similar to ~440.7 Ci/year and 14.7 Ci/year, respectively. The gaseous tritium effluent is about few orders of magnitude smaller than the regulatory constraint of the tritium concentration in the air. The peak tritium concentration in the steam-generator feedwater is similar to ~1.1x10 -3 mu Ci/g, which is required to be diluted prior to releasing as tritiated water. The accumulated tritium in the cold trap after five cycle operations is ~ 52,000 Ci. Because of significant conservatism in these upper bounding estimations, it is expected that the tritium effluent at the nominal case with plausible source terms would be about 2 orders of magnitude smaller than that of the upper bounding case.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Verification assessment of piston boundary conditions for Lagrangian simulation of compressible flow similarity solutions

This work is concerned with the use of similarity solutions of the compressible flow equations as benchmarks or verification test problems for finite-volume compressible flow simulation software. In practice, this effort can be complicated by the infinite spatial/temporal extent of many candidate solutions or “test problems.” Methods can be devised with the intention of ameliorating this inconsistency with the finite nature of computational simulation; the exact strategy will depend on the code and problem archetypes under investigation. For example, self-similar shock wave propagation can be represented in Lagrangian compressible flow simulations as rigid boundary-driven flow, even if no such “piston” is present in the counterpart mathematical similarity solution. The purpose of this work is to investigate in detail the methodology of representing self-similar shock wave propagation as a piston-driven flow in the context of various test problems featuring simple closed-form solutions of infinite spatial/temporal extent. The closed-form solutions allow for the derivation of similarly closed-form piston boundary conditions (BCs) for use in Lagrangian compressible flow solvers. Finally, the consequences of utilizing these BCs (as opposed to directly initializing the self-similar solution in a computational spatial grid) are investigated in terms of common code verification analysis metrics (e.g., shock strength/position errors and global convergence rates).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Optimal control of large quantum systems: assessing memory and runtime performance of GRAPE

Abstract Gradient Ascent Pulse Engineering (GRAPE) is a popular technique in quantum optimal control, and can be combined with automatic differentiation (AD) to facilitate on-the-fly evaluation of cost-function gradients. We illustrate that the convenience of AD comes at a significant memory cost due to the cumulative storage of a large number of states and propagators. For quantum systems of increasing Hilbert space size, this imposes a significant bottleneck. We revisit the strategy of hard-coding gradients in a scheme that fully avoids propagator storage and significantly reduces memory requirements. Separately, we present improvements to numerical state propagation to enhance runtime performance. We benchmark runtime and memory usage and compare this approach to AD-based implementations, with a focus on pushing towards larger Hilbert space sizes. The results confirm that the AD-free approach facilitates the application of optimal control for large quantum systems which would otherwise be difficult to tackle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗