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Example on how to (intelligently) augment the nuclear-data pipeline with machine learning [Slides]

The presentation discusses how machine learning has helped the Los Alamos National Laboratory (LANL) nuclear-data pipeline. It also discusses the strengths of machine learning as it finds trends in large amounts of data where human brains are overwhelmed and that this information may be crucial to improve our nuclear data. It does stress, however, that machine learning is no "silver bullet" and that it is critical to feed it expert knowledge and use physics intuition to interpret the results. The presentation discusses the need to develop infrastructure and tools to provide data in an easily readable and unambiguously interpretable format (e.g., EXFOR format), to develop experimental data and theory to solve physics questions, and that statisticians and nuclear-data experts must be brought together to correctly interpret the results. The presentation concludes by stating that machine learning is a great tool and that LANL needs to use the algorithms along with developing physics data, tools and infrastructure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Selection of a Pair of Experiments to Optimally Reduce Uncertainty in Targeted Nuclear Data

We propose a novel process to select a pair of differential and integral experiments that best reduce uncertainties in targeted 239 ⁢Pu nuclear data while compressing the current nuclear data pipeline from 20 to 3 years. 239⁢ Pu nuclear data are poorly understood for neutrons in the intermediate energy range due to sparsity and uncertainty in historical experiments. New experiments targeting this range will enable better understanding of these nuclear data, but choosing the ideal experiments to conduct is challenging. Beginning with a prior distribution represented by samples of nuclear data generated from theory, generalized least squares adjustments are made to incorporate data from historical experiments. To quantify potential uncertainty reduction obtainable from a pair of candidate experiments, we compute the D-optimality criterion of the posterior covariance of intermediate energy range nuclear data compared to the equivalent covariance after additional adjustment to the pair of candidate experiments. Repeating the process for each of many candidate pairs facilitates the final selection. Results support 63⁢ Cu total cross section measurements for differential experiments and alumina and alumina/graphite configurations for integral experiments. This analysis enables choosing differential and integral experiments to be executed concurrently while shortening decision times relative to the current nuclear data pipeline.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Rossi-alpha Analysis of CURIE Experiment

Critical assembly measurement and operations are crucial to the development of benchmark data to support research into criticality safety, radiation-detection development, and the overall application of nuclear technologies. Accurate nuclear data are needed for accurate predictive simulations, and validation using critical experiments is an important part of the nuclear data pipeline. The accuracy of nuclear data are improved using more robust and targeted measurements. In particular, the intermediate energy range of uranium is of great interest. LANL has successfully performed the Zeus series of experiments on the Comet assembly to investigate the intermediate energy range for HEU with various moderators. A successor to these experiments is the benchmark for the Critical Unresolved Region Integral Experiment (CURIE), designed to be sensitive to the unresolved resonance region (URR). This experiment is designed using polytetrafluoroethylene, more commonly known as Teflon, moderators. The CURIE experiment was successfully conducted at the National Criticality Experiments Research Center (NCERC). The Rossi-alpha method was used to evaluate the propensity of the CURIE configurations to sustain fission chains by estimating the prompt neutron decay constant α. This work evaluates the α at delayed critical using Rossi-alpha for different Teflon moderator thicknesses in the CURIE experiment. These results will help improve understanding of the CURIE benchmark experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Nuclear data sensitivity and uncertainty study of copper-reflected integral experiments [Slides]

This presentation touches on reducing uncertainties in intermediate-energy actinide nuclear data and this continues to be a high priority for many applications. The goal of PARADIGM (PARallel Approach of Differential and InteGral Measurements): accelerate efforts to reduce biases and uncertainties in nuclear data through improvements to the nuclear data pipeline. This presentation includes integral experiments and a summarization of existing copper nuclear data.

Cu63↗

Nuclear Data

PowerPoint presentation targeted for educational use. Nuclear data comes from a variety of sources and in many flavors. Understanding where the data you use comes from and what flavor it is can be essential to understand and interpret your results. This talk will discuss the nuclear data pipeline with particular emphasis on providing links to additional resources that can be used to explore the issues you will encounter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Study of a Proposed fissionTPC Measurement of 233 U(n,f)/ 235 U(n,f) Cross Section Ratio

A review of the available 233 U( n, f )/ 235 U( n, f ) cross section ratio data compared to the ENDF evaluation in the fast neutron energy range, 0.1–20 MeV, shows that discrepancies exist between some of the various measurements and the evaluation. The discrepancies vary and a function of incident neutron energy and range between 1–5%. In this document we review two potential options for performing new measurements of the cross section ratio to potentially resolve these discrepancies. The two options are compared and contrasted in terms of measurement accuracy and cost. The first option would utilize the fissionTPC, which was designed specifically to achieve measurement uncertainties of better than 1% to resolve a similar data–evaluation discrepancy in the 239 Pu( n, f ) cross section. While this would seem to be an ideal option in this case also, there are challenges. The fissionTPC is a complex instrument and the cost of maintenance and operations are significant. Furthermore, some of the fissionTPC equipment is nearing the end of its useful life which presents a risk to completion of a measurement campaign. The second option is to use a dual-fission chamber, which is the more traditional approach to these types of measurements. The cost is estimated to be about half that of a fissionTPC measurement, while the much simpler design of the detector reduces overall risk. The trade-off is the measurement uncertainty, which would be on order of 1–3% with a careful measurement and analysis. This uncertainty however may not be good enough to fully resolve the discrepancies. The objective of a new measurement would be the improvement in the ENDF evaluation with the end goal of improving the accuracy of models and simulations at the end of the nuclear data pipeline. An understanding of the sensitivity of these models to the data uncertainties would help guide the choice of measurement techniques.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Importance of Higher Fidelity Model Geometries during Optimization of Critical Experiments

PARADIGM, PARallel Approach of Differential and InteGral Measurements, is a cross-collaborative effort at Los Alamos National Laboratory between nuclear data theorists, differential and integral experimenters, as well as machine learning statisticians to tackle uncertainties in the intermediate region of 239 Pu. In essence, the idea behind PARADIGM is to remove the linear conceptualization of the nuclear data pipeline, shown in Figure 1, and replace it with a far more parallelized approach. The novel approach leverages machine learning to guide which differential measurements and integral experiments will result in the largest decrease in uncertain ties for a nuclide reaction pair in a given energy range. The concept builds off earlier work, EUCLID, which focused on the fast region of 239 Pu. The practical benefit of having evaluation, differential measurement, and integral experiment personnel in collaboration with machine learning is to represent the entire nuclear data in one snapshot. This enable large reduction in the time to deliver improved nuclear data, which using the PARADIGM approach could be done in 3 years. A general outline of PARADIGM and specific topics are available in other papers. The discussion here will pertain directly to the integral experiment design. More specifically, the process of taking a rough design and transforming it into a finalized neutronic model will be discussed.

97 MATHEMATICS AND COMPUTING↗

Expanding Benchmarks for Nuclear Data Validation [Slides]

The presentation discusses benchmarking in comparison to experimental truth, the integral experiments that were performed, and that benchmarks are evaluated experiments. It also discusses validation testing, and that the ultimate goal of the validation end product is to improve evaluated nuclear data for applications It does state that validation highlights errors in the Nuclear Data Pipeline that affect applications, for example: Missing Cd Capture Gammas in ENDF/B-VII.1. It acknowledges that additional types of experiments are needed to test data used in applications, and that validation experiments do not have to be complicated and expensive. The presentation also discusses different types of measurements including activation foil and fission chamber measurements, reactor kinetics measurements, and subcritical measurements. The presentation concludes with an experiment summary and states that all applications need validation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Proceedings of the Workshop for Applied Nuclear Data: WANDA2020

On March 3–5, 2020, in Washington, DC, the Nuclear Data Interagency Working Group (NDIAWG) supported the 3-day Workshop for Applied Nuclear Data (WANDA2020) to facilitate interagency collaboration on nuclear data for applications and to communicate mission-driven nuclear data needs. The goal was to assemble users and producers of nuclear data to provide input to identify nuclear data needs, suggest solutions to address those needs, and prioritize potential solutions. The workshop consisted of talks by agency program managers, a nuclear data pipeline panel, six topic-focused roadmapping discussion sessions and a review of NDIAWG-funded projects. More than 160 attendees represented national laboratories, universities, and headquarters, as well as international organizations and industry. The proceedings presented herein summarize the workshop’s content, highlight important outcomes, and document attendees’ recommendations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Phonon-informed Neural Thermal Scattering (NeTS) Optimization for Crystalline Graphite and Beryllium Metal

Fast neutrons born from fission lose energy through scattering interactions in the process of slowing-down. As neutrons thermalize to the order of $k$ $b$ $T$ (where $k$ $b$ is the Boltzmann constant, and $T$ is the temperature of the medium), their de Broglie wavelength and energy approaches the order of inter-atomic spacing and quantized lattice vibrations, i.e., phonons. At thermal energies, the thermal scattering law (TSL), i.e., $S$($α, β$), captures crystal binding contributions to the total reaction rate, or cross section. This dimensionless material property describes the energy ($β$) and momentum ($α$) exchanges available in a medium. Currently, $S$($α, β$) is evaluated in the Full Law Analysis Scattering System Hub (FLASSH) code for discrete inputs and stored as ENDF/B File 7 for 0-phonon elastic (MT 2) and n-phonon inelastic (MT 4) processes. Further processing recasts $S$($α, β$) into cumulative distribution functions for sampling post-collision scattering kinematics. In practice, interpolation schemes are employed to access data between tabulated values. An improvement to this juncture of the nuclear data pipeline is supplying cross sections on-the-fly (OTF), as has been developed for the un-resolved resonance region to minimize non-physical interpolation errors. This capability may improve simulation accuracy for accident and transient analyses, where rapidly varying changes in temperature and pressure are difficult to predict beforehand. To do so, deep artificial neural networks (ANNs) can be employed which collapse non-linear, complex data into a lightweight dictionary of neural weights and biases. This has been successfully demonstrated for the hydrogen in light water $S$($α, β$) dataset in the form of a Neural Thermal Scattering (NeTS) module. In this work, the NeTS framework is extended to consider the impact of material-dependent dynamical features on optimal neural pre-processing and architecture design decisions, such as number of neurons per hidden layer, residual skip connections and neural depth. New NeTS modules for crystalline graphite and beryllium metal illuminate a novel correlation between dynamical nonlinearity and optimal neural parametrization when deploying $S$($α, β$) on-the-fly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Validating automated resonance evaluation with synthetic data

The integrity and precision of nuclear data are crucial for a broad spectrum of applications, from national security and nuclear reactor design to medical diagnostics, where the associated uncertainties can significantly impact outcomes. A substantial portion of uncertainty in nuclear data originates from the subjective biases in the evaluation process, a crucial phase in the nuclear data production pipeline. Recent advancements indicate that automation of certain routines can mitigate these biases, thereby standardizing the evaluation process and enhancing reproducibility. This research aims to provide a methodology, framework, and metrics for the validation of automated nuclear data evaluation software leveraging high-quality synthetic data that closely mimic real experimental observables. An introduced error metric provides a scale and intuitive measure of the evaluation quality by quantifying the estimate’s accuracy and performance across the specified energy range. Synthetic data provides access to experimental observables and underlying resonance parameters, enabling comparison of different evaluations. The methodology is demonstrated using Ta-181 isotope data in the resolved resonance region. The Automated Resonance Identification Subroutine (ARIS), which operates without prior resonance information, was used to test and showcase the framework’s capabilities utilizing the proposed error metrics. The results demonstrate the effectiveness of the proposed approach and framework for optimizing software parameters and testing hypotheses through “what-if” controlled experiments, such as modifying assumptions about experimental conditions or average resonance parameters.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The LLNL nuclear data infrastructure for the GNDS data format

The next generation of nuclear data infrastructure tools at the Livermore National Laboratory (LLNL) consists of pipeline of codes that read and process nuclear data from evaluated files saved in the new GNDS (Generalised Nuclear Data Structure) nuclear data format. The processing code FUDGE (For Updating Data and Generating Evaluations) is at the front-end of this pipeline as it reads and process the evaluated data for use in downstream transport codes. FUDGE is Python based with C and C++ extensions for computationally intensive tasks. As is the case for the evaluated data, the processed output is also saved in the GNDS format and the GIDI+ API is provided as the interface between the processed data and the transport codes. GIDI+ is a C++ based suite of codes and it includes GIDI (General Interaction Data Interface), a library for reading and writing GNDS data, and MCGIDI which is the cross section lookup, and reaction and product distribution sampling interface between Monte Carlo transport codes and the GNDS data. GIDI provides methods for easy access to the multi-group processed GNDS data and this is demonstrated through its implementation in ARDRA, the LLNL deterministic transport code. The evaluation and sampling methods in MCGIDI are available as both CPU and GPU methods which facilitates the use of MCGIDI in both traditional CPU-based as well as the next generation mixed model computational architectures. This is demonstrated through the GIDI+ implementation in MERCURY, the LLNL Monte Carlo transport code. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Scalable Hybrid Learning Techniques for Scientific Data Compression

Data compression is becoming critical for storing scientific data because many scientific applications need to store large amounts of data and post process this data for scientific discovery. Unlike image and video compression algorithms that limit errors to primary data (PD), scientists require compression techniques that accurately preserve derived quantities of interest (QoIs). Here, this article presents a physics-informed compression technique implemented as an end-to-end, scalable, GPU-based pipeline for data compression that addresses this requirement. Our hybrid compression technique combines machine learning techniques and standard compression methods. Specifically, we combine an autoencoder, an error-bounded lossy compressor to provide guarantees on raw data error, and a constraint satisfaction post-processing step to preserve the QoIs within a minimal error (generally less than floating point error). The effectiveness of the data compression pipeline is demonstrated by compressing nuclear fusion simulation data generated by a large-scale fusion code, XGC, which produces hundreds of terabytes of data in a single day. Our approach works within the ADIOS framework and results in compression by a factor of more than 150 while requiring only a few percent of the computational resources necessary for generating the data, making the overall approach highly effective for practical scenarios.

ITER↗