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At least 1,153 records · Page 64

Uncertainty and Sensitivity Analysis Methods and Applications in the GDSA Framework (FY2021)

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Fuel Cycle Technology (FCT) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). Two high priorities for SFWST disposal R&D are design concept development and disposal system modeling. These priorities are directly addressed in the SFWST Geologic Disposal Safety Assessment (GDSA) control account, which is charged with developing a geologic repository system modeling and analysis capability, and the associated software, GDSA Framework, for evaluating disposal system performance for nuclear waste in geologic media. GDSA Framework is supported by SFWST Campaign and its predecessor the Used Fuel Disposition (UFD) campaign. This report fulfills the GDSA Uncertainty and Sensitivity Analysis Methods work package (SF-21SN01030404) level 3 milestone, Uncertainty and Sensitivity Analysis Methods and Applications in GDSA Framework (FY2021) (M3SF-21SN010304042). It presents high level objectives and strategy for development of uncertainty and sensitivity analysis tools, demonstrates uncertainty quantification (UQ) and sensitivity analysis (SA) tools in GDSA Framework in FY21, and describes additional UQ/SA tools whose future implementation would enhance the UQ/SA capability of GDSA Framework. This work was closely coordinated with the other Sandia National Laboratory GDSA work packages: the GDSA Framework Development work package (SF-21SN01030405), the GDSA Repository Systems Analysis work package (SF-21SN01030406), and the GDSA PFLOTRAN Development work package (SF-21SN01030407). This report builds on developments reported in previous GDSA Framework milestones, particularly M3SF 20SN010304032.

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Nuclear Data for High Energy Ion Interactions and Secondary Particle Production

Understanding the harmful effects of galactic cosmic rays (GCRs) on space exploration requires a substantial amount of nuclear data. Specifically, the interaction of energetic GCR charged particles with spacecraft materials generates secondary radiations that, through energy deposition, can harm astronauts and electronic systems. By identifying the gaps in our knowledge of the relevant nuclear data – interaction cross sections – and identifying ways to fill those gaps – with measurements, compilations, evaluations, disseminations, reaction modeling, sensitivity studies, and uncertainty quantification – the safety and viability of space exploration can be improved. This work surveys the state of the art in this interdisciplinary field and identifies promising collaborative research topics that have significant potential to advance our understanding of the effects of the space radiation environment on space exploration.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Deep learning-based spatio-temporal estimate of greenhouse gas emissions using satellite data

Accurate estimation of greenhouse gases (GHGs) emissions is very important for developing mitigation strategies to climate change by controlling and reducing GHG emissions. This project aims to develop multiple deep learning approaches to estimate anthropogenic greenhouse gas emissions using multiple types of satellite data. NO2 concentration is chosen as an example of GHGs to evaluate the proposed approach. Two sentinel satellites (sentinel-2 and sentinel-5P) provide multiscale observations of GHGs from 10-60m resolution (sentinel-2) to ~kilometer scale resolution (sentinel-5P). Among multiple deep learning (DL) architectures evaluated, two best DL models demonstrate that key features of spatio-temporal satellite data and additional information (e.g., observation times and/or coordinates of ground stations) can be extracted using convolutional neural networks and feed forward neural networks, respectively. In particular, irregular time series data from different NO 2 observation stations limit the flexibility of long short-term memory architecture, requiring zero-padding to fill in missing data. However, deep neural operator (DNO) architecture can stack time-series data as input, providing the flexibility of input structure without zero-padding. As a result, the DNO outperformed other deep learning architectures to account for time-varying features. Overall, temporal patterns with smooth seasonal variations were predicted very well, while frequent fluctuation patterns were not predicted well. In addition, uncertainty quantification using conformal inference method is performed to account for prediction ranges. Overall, this research will lead to a new groundwork for estimating greenhouse gas concentrations using multiple satellite data to enhance our capability of tracking the cause of climate change and developing mitigation strategies.

54 ENVIRONMENTAL SCIENCES↗

Probabilistic Nanomagnetic Memories for Uncertain and Robust Machine Learning

This project evaluated the use of emerging spintronic memory devices for robust and efficient variational inference schemes. Variational inference (VI) schemes, which constrain the distribution for each weight to be a Gaussian distribution with a mean and standard deviation, are a tractable method for calculating posterior distributions of weights in a Bayesian neural network such that this neural network can also be trained using the powerful backpropagation algorithm. Our project focuses on domain-wall magnetic tunnel junctions (DW-MTJs), a powerful multi-functional spintronic synapse design that can achieve low power switching while also opening the pathway towards repeatable, analog operation using fabricated notches. Our initial efforts to employ DW-MTJs as an all-in-one stochastic synapse with both a mean and standard deviation didn’t end up meeting the quality metrics for hardware-friendly VI. In the future, new device stacks and methods for expressive anisotropy modification may make this idea still possible. However, as a fall back that immediately satisfies our requirements, we invented and detailed how the combination of a DW-MTJ synapse encoding the mean and a probabilistic Bayes-MTJ device, programmed via a ferroelectric or ionically modifiable layer, can robustly and expressively implement VI. This design includes a physics-informed small circuit model, that was scaled up to perform and demonstrate rigorous uncertainty quantification applications, up to and including small convolutional networks on a grayscale image classification task, and larger (Residual) networks implementing multi-channel image classification. Lastly, as these results and ideas all depend upon the idea of an inference application where weights (spintronic memory states) remain non-volatile, the retention of these synapses for the notched case was further interrogated. These investigations revealed and emphasized the importance of both notch geometry and anisotropy modification in order to further enhance the endurance of written spintronic states. In the near future, these results will be mapped to effective predictions for room temperature and elevated operation DW-MTJ memory retention, and experimentally verified when devices become available.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Posterior Regularized Bayesian Neural Network

Traditional NNs often lack the ability for uncertainty quantification. Bayesian NNs(BNNs) could help measure the confidence level by using distributions in NNs modeling. Besides, knowledge is commonly available and could improve the performance of BNNs if it can be properly incorporated. In this work, we propose a novel Posterior-Regularized BNN(PR-BNN) model by incorporating soft and hard constraints as a posterior regularization term. We also propose an augmented Lagrangian method and stochastic optimization algorithm for efficient updating via Monte Carlo sampling. The simulations and case studies for solar PV plants have shown the performance improvement of the proposed model over traditional BNNs.

97 MATHEMATICS AND COMPUTING↗

Open-source release of CGMF 1.1 and Integration into the MCNP6.3 ® Code [Slides]

As a result of a multi-year NA-22 project, CGMF was integrated into MCNP6.2 and publicly released. CGMF was open-sourced and publicly released and MCNP6.3 was updated to include the latest version and is in the process of being publicly released. Current and future plans include global optimization and uncertainty quantification within CGMF, model parameter fitting such that CGMF may be used in ENDF/B evaluations, and improving both standalone and MCNP-integrated CGM (non-fission) simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Decision Science for Machine Learning (DeSciML)

The increasing use of machine learning (ML) models to support high-consequence decision making drives a need to increase the rigor of ML-based decision making. Critical problems ranging from climate change to nonproliferation monitoring rely on machine learning for aspects of their analyses. Likewise, future technologies, such as incorporation of data-driven methods into the stockpile surveillance and predictive failure analysis for weapons components, will all rely on decision-making that incorporates the output of machine learning models. In this project, our main focus was the development of decision scientific methods that combine uncertainty estimates for machine learning predictions, with a domain-specific model of error costs. Other focus areas include uncertainty measurement in ML predictions, designing decision rules using multiobjecive optimization, the value of uncertainty reduction, and decision-tailored uncertainty quantification for probability estimates. By laying foundations for rigorous decision making based on the predictions of machine learning models, these approaches are directly relevant to every national security mission that applies, or will apply, machine learning to data, most of which entail some decision context.

97 MATHEMATICS AND COMPUTING↗

Status, Challenges, and Plans for Consistent Modeling and Evaluation of Fission Data: Nubar, PFNS, and FPY [Slides]

This presentation discusses the importance of consistent evaluations for fission observables. Currently, prompt fission quantities (e.g., neutron multiplicity, neutron energy spectrum, and fission product yields) are evaluated independently of one another, either with separate models or data-only/non-model evaluations (few – if any – shared model inputs) and inconsistencies can arise in evaluated data (e.g. NSE 190, 258 (2018)). They have found that consistent, model-based evaluations lead to more physical constraints on free parameters in the model, more robust predictions for other observables and other isotopes, that there are correlations between the uncertainties on different observables, and that uncertainties can be propagated to unmeasured quantities. They are working on developing models to the point where fission observables are calculated at the quality needed for an evaluation. They are striving to consistently calculate fission observables, such as $\bar{v}$, PFNS, and FPY, to a quality suitable for an evaluation. Current evaluations for fission observables use separate models for each observable (with minimal shared input) or are purely data driven. LANL models, such as the Monte Carlo CGMF and deterministic BeoH, have different strengths; the similar fission fragment initial conditions and decay models leads to consistency between the two codes (FPY can be connected to $\bar{v}$ and PFNS, even when calculated by different codes). Work is underway by Lovell to optimize the models and Neudecker is working to perform detailed uncertainty quantification. The PFNS, in particular, presents a significant challenge.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

TEDS Test Plan for Performance Characterization of Packed-bed Thermal Energy Storage Unit

This report proposes a set of test plans for performance measurement and characterization of the packed-bed thermal energy storage (TES) unit for TEDS. The main goals of this test plan are three-fold: (i) support the high-fidelity data measurement for TEDS, (ii) characterize thermal and structural performance of the TEDS TES unit, and (iii) produce high quality validation-oriented data. To achieve the goals, it is first suggested to revisit the instrument calibration and data sampling protocols applied during the startup and commissioning tests of TEDS, based on the observation from the recent CFD validation study using the TEDS TES operational data. The uncertainty quantification of the thermal and hydraulic measurements is also suggested. Lastly, test matrices are provided for charge, discharge, and standby modes of the packed-bed TES unit, respectively, to characterize the thermal and structural performances during the envisioned TEDS operations.

25 ENERGY STORAGE↗

Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Chapter 4

This chapter describes the GW flow and transport conceptual models in the VZ for both generic and special waste forms in STs, ETs, LAWV, ILV, and NRCDAs. The development and implementation of the GoldSim® system model for trenches is also introduced. The Trench System Model is used for sensitivity analysis and uncertainty quantification as reported in Chapter 6.

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Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Chapter 6

This chapter provides a description of the methods used for the sensitivity and uncertainty quantification analyses and identifies the parameters and assumptions found to be most important in the determination of compliance with PA performance objectives, development of WAC, establishment of individual DU inventory limits, and other regulatory decisions.

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Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Appendix I

As stated in Section 9.1.2.2, a final inventory of parent radionuclides is projected for every DU at the time of facility operational closure in 2065. These final closure inventories are upper-bound estimates wherein each DU is assumed to reach its activity capacity. Composition vectors based on existing DU inventories are employed to estimate the final compositions of all existing and future DUs. Specifically, (1) the existing DU compositions are assumed to remain constant; (2) future DUs are assigned averaged existing compositions based on appropriately averaged DUs. This information is detailed in Appendix H, Section H.7. In addition, the variability in composition among existing DUs is used to generate log-normal distributions for uncertainty quantification, which is detailed in Section I.1.1.

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Thermal Neutron Scattering Research and Development at Oak Ridge National Laboratory [Slides]

This presentation provides an overview of the project, specifically describing how neutron cross sections can be broken up into several regions. It also discusses how thermal scattering law (TSL) $\textit{S(α, β)}$ is related to dynamic structure factor $\textit{S(q, E)}$ and how $\textit{S(q, E)}$ can be broken up into 2 primary components, incoherent and coherent, and how it can be calculated in several ways, including density functional theory (DFT) and molecular dynamics (MT). Additionally, it states that ENDF currently stores coherent elastic (Bragg edges), incoherent elastic and incoherent inelastic. Also discussed are the experimental capabilities, evaluations, and uncertainty quantification of the project.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Risk-Informed MultiPphysics BestEestimate Plus Uncertainties (BEPU) Application Development of RELAP5-3D Perturbation Model

The United States nuclear industry is facing a strong challenge to ensure maximum safety while enhancing economic benefit. Safety is a key parameter to all aspects related to light water reactor (LWR) nuclear power plants (NPPs), especially cost savings. Since the goal is to extend the lifetimes of these NPPs, the traditional deterministic safety concept may not guarantee a current economic asset. The Light Water Reactor Sustainability (LWRS) Program has been promoting a wide range of research and development (R&D) in this field to maximize the safety, economics, and performance of these NPPs through improved scientific understanding. One of the best practices to achieve this goal is to identify and optimize safety margins, which can lead to cost reduction. To do this, under the LWRS framework, the Risk-Informed Systems Analysis (RISA) Pathway will focus on the optimization of safety margin and minimization of uncertainties to ensure both safety and economics at the highest level. The RISA Pathway will provide enhanced capabilities for analyzing and characterizing LWR systems performance by developing and demonstrating methods, tools, and data to enable risk-informed margins management (RIMM). The goals of the RISA Pathway are twofold: (1) deploy the risk-informed tools and methods that enable better representation of safety margins and factors that contribute to cost and safety; and (2) conduct advanced risk assessment applications with industry to support margin management strategies that enable more cost-effective plant operation. The tools and methods provided by the RISA Pathway will support effective margin management for both active and passive safety systems, structures, and components (SSC) of an NPP. The tools and methods used in the RISA Pathway should have high confidence and highest technical maturity for and implementation to industry at its current setting. They should also have a capability to support risk-informed decision making for both probabilistic and deterministic elements of safety. The RISA Pathway will, therefore, perform a comprehensive assessment of verification and validation (V&V) status of RISA Toolkit to enhance credibility RISA Toolkit which be used by industry. This report summarizes RELAP5-3D development activities for best estimated and uncertainty (BEPU) capability to support ongoing RISA Pathway pilot projects for risk informed uncertainty quantification applications. Work scope includes (1) development of initial perturbation model for selected closure laws and (2) testing of suitable probability distribution functions (PDF) for the selected correlations. Developed BEPU modules are tested with selected separate effect cases and compared with conventional thermal-hydraulics model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Advancing the Theory of Nuclear Data Evaluations [Slides]

This presentation covers a few key topics in relation to advancing the theory of nuclear data evaluations. First it targets and highlights the NCSP mission and vision along with the five-year plan. This lecture focuses upon the uncertainty quantification and SAMMY modernization. This presentation covers theory, and a framework is provided. The presentation concludes with goals, outlooks, and accomplishments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Harnessing Uncertainty through Functional Data Analysis in Gas Breakthrough Data

Detecting subsurface explosions from radionuclide gas migration through rock fractures is an effective way to identify nuclear activity. Los Alamos National Laboratory (LANL) has developed simulation methods, based on data from the 1962 Hardhat underground nuclear test, to predict gas breakthrough times at the surface. However, these methods rely on an imperfect understanding of the relationship between rock damage and fracture permeability. Our clinic project studies methods for predicting breakthrough curves that characterize total mass produced as a function of time, as well as quantifying the uncertainty associated with these predictions. The model that is currently employed to relate damage to permeability uses an empirically motivated power-law expression, with a range of parameter values that are compatible with the experimental Hardhat data. We develop emulators, built from functional data analysis techniques and trained on simulation data, that rapidly predict the gas breakthrough curve given a damage field and given the parameter values of the power-law equation. Using Bayesian regression, we address the problem of uncertainty quantification in our emulators. Finally, in order to test the robustness of the model, we further validate it on a damage field representing different physical conditions.

58 GEOSCIENCES↗

Gaussian process for calibration and control of GlueX Central Drift Chamber

We have developed and implemented a machine learning based system to calibrate and control the GlueX Central Drift Chamber at Jefferson Lab, VA, in near real-time. The system monitors environmental and experimental conditions during data taking and uses those as inputs to a Gaussian process (GP) with learned prior. The GP predicts calibration constants in order to recommend a high voltage (HV) setting for the detector that maintains consistent detector performance (gain and resolution) throughout data taking. This approach is in stark contrast to traditional detector operations in which the detector operates at fixed HV and its calibration parameters vary quite considerably with time. Additionally, the ML based system utilizes uncertainty quantification to correct the recommended control parameters when appropriate. We will present results from the ML system autonomously during the Charged Pion Polarizability (CPP) experiment conducted in Hall D at Jefferson Lab.

McSpadden, Helen↗