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ORNL Neutron Cross Section Measurements of 90 Zr

Nuclear criticality modeling and simulations rely on the quality of the existing evaluated nuclear data libraries such as Evaluated Nuclear Data File (ENDF)/B, the Joint Evaluated Fission and Fusion (JEFF) nuclear data library, or the Japanese Evaluated Nuclear Data Library (JENDL). In some cases, the cross-section evaluations of those libraries were found to be deficient in describing criticality benchmarks accurately. More than two decades ago, the US Nuclear Criticality Safety Program (NCSP) established a Nuclear Data (ND) task which encompassed experiments and evaluations. In response to this, the Oak Ridge National Laboratory (ORNL) formed a Nuclear Criticality and Data group which performed ND experiments, data analysis, and evaluations to produce ENDF files for the ND libraries as identified in the NCSP Five-Year Plan. Before being submitted to the ENDF library, files were processed and tested for performance by running benchmark calculations. This procedure was centralized in the ORNL group and is now often referred to as the ND pipeline. NCSP collaborates with the Joint Research Center (JRC) of the European Commission in Geel, Belgium, to perform high-resolution neutron-induced cross section measurements at the Geel Linear Accelerator (GELINA). The objective is to address emerging ND problems in criticality calculations. Difficulties with ND include insufficient neutron energy range, missing covariances, and previously unrecognized inaccuracies with experiments. New neutron total and capture cross sections of 90 Zr in the neutron energy range from 100 eV to several hundred keV were recently performed. These measured data will be used, together with existing high-resolution transmission data from a metallic 90 Zr sample, to improve representation of the cross sections.

97 MATHEMATICS AND COMPUTING↗

Bayesian Monte Carlo Evaluation of Imperfect (n, 233 U) Data and Model

Conventional nuclear data evaluation methods using generalized linear least squares make the following assumptions: prior and posterior probability distribution functions (PDFs) of all model parameters and data are normal (Gaussian); the linear approximation is sufficiently accurate to minimize the cost function (even for nonlinear models); the model (e.g., of neutron cross section) and experimental data (including covariance data) are without defect and prior PDFs of parameters and measured data are known perfectly. Neglect of covariance between model parameters and measured data in conventional evaluations contributes to imperfections. These assumptions are inherent to the generalized linear least squares minimization method commonly used for resolved resonance region neutron cross section evaluations but are often not justified due to the presence of non-normal PDFs, nonlinear models (e.g., R-matrix formalism), and inherent imperfections in data and models (e.g., imperfect covariance data). Here, these assumptions are removed in a mathematical framework of Bayes’ theorem, which is implemented using the Metropolis-Hastings Monte Carlo method. Most importantly, new parameters are introduced to parameterize discrepancies between the theoretical model and measured data to quantify judgement about discrepancies or imperfections in a reproducible manner. An evaluation of 233U in the eV region using the ENDF-B/VIII.0 library and transmission data (Guber et al.) is presented, and posterior parameters are compared to those obtained by conventional evaluation methods. This example illustrates the effects of removing the most harmful assumption: that of model-data perfection.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

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↗

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↗

Summary Report of the Workshop on The Experimental Nuclear Reaction Data Database

The Workshop on the Experimental Nuclear Reaction Data Database (EXFOR) was held at IAEA Headquarters in Vienna from 6 to 10 October 2014. The workshop was organized to discuss various aspects of the EXFOR compilation process including compilation rules, different techniques for nuclear reaction data measurements, software developments, etc. A summary of the presentations and discussions that took place during the workshop is reported here.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

ENDF/B-VIII.0 Augmented Covariance Data: The first iteration

Nuclear data are necessary for reliable modeling and simulation of the next generation of nuclear reactors. However, the variation in the ratio of the computed to experimental values (C/E) for certain types of nuclear systems is much less than predicted by evaluated nuclear data file (ENDF)/B covariances. Figure 1 provides an example of a set of metal-plutonium-fueled, fast-spectrum (PU-MET-FAST) integral experiments from the International Criticality Safety Benchmark Evaluation Project (ICSBEP) in the Oak Ridge National Laboratory (ORNL) VALID database. The variation in the C/E values, shown with one standard deviation error bars, is 100% covered by both the SCALE and ENDB/VIII.0 covariance data. This is due to the comparisons to integral data that are essential during the evaluation process. However, the ENDF evaluations represent uncertainties and correlations in differential data only; they do not reflect the impact of the comparison to integral data in the covariance evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Verification of Flux Sensitivity Estimates Using the MCNP Tally Perturbation Tool

Nuclear data is commonly used in applications such as nuclear nonproliferation, safeguards, and criticality safety. More specifically, nuclear data is used in predictive simulation codes like the Monte-Carlo N-Particle (MCNP ® ) transport code, Serpent, and similar radiation transport codes. The improvement of nuclear data enables more precise and accurate simulations, which result in higher fidelity designs and reduced operational/procedural costs. Therefore, the improvement of nuclear data is of paramount importance across the nuclear community. Nuclear data is improved and validated through integral benchmark experiments. The design of benchmark experiments is an extensive process; therefore, these experiments are often optimized on multiple characteristics, including sensitivity to the nuclear data, during the design process. Sensitivity is a measure of how much a quantity changes due to changes in independent variables such as experimental configuration. An experimental design that has a larger sensitivity to the nuclear data of interest will have a larger impact on the accuracy and precision of the validated data. Past integral benchmark experiments have primarily used the effective multiplication factor ($k_{eff}$) as the predominant measured quantity; however, experiments designed with other quantities in mind would be able to optimize on validating different areas of the nuclear data. A primary goal of the EUCLID project is to design, constrain, and reduce compensating errors in experiments focused on quantities other than $k_{eff}$ to better validate nuclear data across the board. Currently, there is a capability in MCNP to easily calculate the sensitivity of $k_{eff}$ to specific nuclear data of numerous reactions types and isotopes (KSEN card); however, the sensitivity of other quantities must be estimated in more strenuous manners. For example, the perturbation feature (PERT card) of MCNP can be used to estimate first-order sensitivities of some response in fixed source simulations. A recent announcement revealed that the first- and second-order perturbation features in previous releases of MCNP contained a bug. It was identified that particles were being scored into the wrong energy bin. The bug is in the most recent public release (MCNP6.2); however, a patch has been added to the most up to date version (MCNP6.2.2) that has not been released publicly. A direct comparison of the PERT card results for an F4 (neutron flux averaged over a cell) tally before and after the patch are shown in figure 1. All simulations used in the sensitivity estimates in this report were performed with MCNP6.2.2. This work verifies the patched MCNP perturbation tool by comparing first order sensitivities made using the PERT card to estimates made using manual perturbation of the compact ENDF (ACE) files.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

ENDF/B-VIII.0: The 8 th Major Release of the Nuclear Reaction Data Library with CIELO-project Cross Sections, New Standards and Thermal Scattering Data

We describe the new ENDF/B-VIII.0 evaluated nuclear reaction data library. ENDF/B-VIII.0 fully incorporates the new IAEA standards, includes improved thermal neutron scattering data and uses new evaluated data from the CIELO project for neutron reactions on 1 H, 16 O, 56 Fe, 235 U, 238 U and 239 Pu described in companion papers in the present issue of Nuclear Data Sheets. The evaluations benefit from recent experimental data obtained in the U.S. and Europe, and improvements in theory and simulation. Notable advances include updated evaluated data for light nuclei, structural materials, actinides, fission energy release, prompt fission neutron and γ-ray spectra, thermal neutron scattering data, and charged-particle reactions. Integral validation testing is shown for a wide range of criticality, reaction rate, and neutron transmission benchmarks. In general, integral validation performance of the library is improved relative to the previous ENDF/B-VII.1 library.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Calculations of Astrophysical Reaction Rates Using ENDF/B-VIII.0 Library

Recent observations of neutron stars merger (GW170817) renewed interest in stellar nucleosynthesis. Stellar nucleosynthesis modeling requires fully traceable, unbiased, high fidelity nuclear data. The Evaluated Nuclear Data File (ENDF) libraries contain complete collections of reaction data sets over the nuclear industry standard 10 -5 eV - 20 MeV energy span. For the first time, the (n,γ), (n,fission), (n,p), and (n,α) astrophysical reaction rates were computed within the 0.01-10 GK range of temperatures using the ENDF/B-VIII.0 library, and nuclear Reaction rate Library for astrophysics (REACLIB) fit parameters were deduced. The present results were used to estimate the slow neutron capture timescale. These findings demonstrate the potential astrophysical applications of the ENDF libraries and the complementary relations between the nuclear industry and astrophysics data developments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Uncovering Where Compensating Errors Could Hide in ENDF/B-VIII.0

Unconstrained physics spaces between two or more nuclear data observables in a library occur when their values can be simultaneously adjusted without violating the uncertainties in either differential information or simulations of relevant integral experiments. Differential data are often too imprecise to fully bound all nuclear data observables of interest for application simulations. Integral data are simulated with combinations of nuclear data so that an error in one observable may be hidden by a counterbalancing error in another. In this manner compensating errors may lurk within nuclear data libraries and these errors have the potential to undermine the predictive power of neutron transport simulations, particularly in situations where there is no conclusive validation experiment that resembles the application of interest. The EUCLID project (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) developed a preliminary workflow to identify these unconstrained physics spaces by bringing together results from a large collection of integral experiments with their simulated counter-parts as well as differential information that have a one-to-one correspondence to nuclear data. This wealth of information is processed by machine learning tools for subsequent refinement by human experts. Here, we show how the EUCLID work-flow is executed by applying it first to 239 Pu and then to 9 Be nuclear data in ENDF/B-VIII.0.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Validation of MCNP6.1 for Criticality Safety of Pu-Metal, -Solution, and -Oxide Systems

Guidance is offered to the Los Alamos National Laboratory Nuclear Criticality Safety division towards developing an Upper Subcritical Limit (USL) for MCNP6.1 calculations with ENDF/B-VII.1 nuclear data for three classes of problems: Pu-metal, -solution, and -oxide systems. A benchmark suite containing 1,086 benchmarks is prepared, and a sensitivity/uncertainty (S/U) method with a generalized linear least squares (GLLS) data adjustment is used to reject outliers, bringing the total to 959 usable benchmarks. For each class of problem, S/U methods are used to select relevant experimental benchmarks, and the calculational margin is computed using extreme value theory. A portion of the margin of sub criticality is defined considering both a detection limit for errors in codes and data and uncertainty/variability in the nuclear data library. The latter employs S/U methods with a GLLS data adjustment to find representative nuclear data covariances constrained by integral experiments, which are then used to compute uncertainties in k eff from nuclear data. The USLs for the classes of problems are as follows: Pu metal, 0.980; Pu solutions, 0.973; dry Pu oxides, 0.978; dilute Pu oxide-water mixes, 0.970; and intermediate-spectrum Pu oxide-water mixes, 0.953.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fast neutron leakage spectra of the EUCLID experiment

Special nuclear material in sub-critical and critical configurations measured in integral experiments are important for validation and adjustment of nuclear data. Many different evaluations of nuclear data exist, and these different evaluations can provide different values for individual cross sections that vary due to the uncertainties in differential experiments or lack of such data. For integral experiments, differences in these individual cross sections can have compensating errors, which lead to the same answer. One example of this is the Jezebel critical assembly, where k eff of the system is correctly computed by both ENDF/B-VIII.0 and JEFF-3.3, despite having substantially different underlying evaluated values for specific reactions (such as elastic and inelastic cross sections). To reduce compensating errors in nuclear data, the Experiments Underpinned by Computational Learning for Improvements in Nuclear Data (EUCLID) project has utilized machine learning to design a set of sub-critical and critical experiments. These experiments include slab- and cube-like configurations of 239 Pu in the form of the ZPPR plates. Six different responses were measured on a total of thirteen different configurations. One of these responses, the neutron leakage spectrum, was measured using an EJ301D detector. Finally, the results of the neutron leakage spectra show good agreement (within 1–2 σ ) with the expected spectrum from simulations and will be used in the subsequent nuclear data adjustment done by the EUCLID team.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

ENDF/B-VIII.1

The ENDF/B-VIII.1 release is the newest evaluated nuclear data library produced, distributed, and recommended by CSEWG for use in nuclear science and technology applications. Among the many key advances, relative to the previous version ENDF/B-VIII.0, are: re-evaluation of 239Pu file by a joint international effort; updated 16,18O, 19F, 28-30Si, 50-54Cr, 55Mn, 54,56,57Fe, 63,65Cu, 139La, 233,235,238U, and 240,241Pu neutron nuclear data by the IAEA-coordinated INDEN collaboration; significant changes for 3He, 6Li, 9Be, 51V, 88Sr, 103Rh, 140,142Ce, Dy, 181Ta, Pt, 206-208Pb, and 234,236U neutron data; new nuclear data for the photo-nuclear, being 196 adopted from the IAEA2019 Photonuclear Data Library and one new file from JENDL-5; and new evaluations for the charged-particle and atomic sublibraries. Numerous thermal neutron scattering kernels were re-evaluated or provided for the very first time. Additionally, new covariance testing was implemented. ENDF/B-VIII.1 reduced bias in the simulations of many integral experiments with particular progress noted for fluorine, copper and stainless steel containing benchmarks. Data issues which had hindered the deployment of ENDF/B-VIII.0 for commercial nuclear power applications in high burn-up situations, were addressed. ENDF/B-VIII.1 data are distributed in both ENDF-6 and GNDS formats.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Uncovering Where Compensating Errors Could Hide in ENDF/B-VIII.0

Unconstrained physics spaces between two or more nuclear data observables in a library occur when their values can be simultaneously adjusted without violating the uncertainties in either differential information or simulations of relevant integral experiments. Differential data are often too imprecise to fully bound all nuclear data observables of interest for application simulations. Integral data are simulated with combinations of nuclear data so that an error in one observable may be hidden by a counterbalancing error in another. In this manner compensating errors may lurk within nuclear data libraries and these errors have the potential to undermine the predictive power of neutron transport simulations, particularly in situations where there is no conclusive validation experiment that resembles the application of interest. The EUCLID project (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) developed a preliminary workflow to identify these unconstrained physics spaces by bringing together results from a large collection of integral experiments with their simulated counter-parts as well as differential information that have a one-to-one correspondence to nuclear data. This wealth of information is processed by machine learning tools for subsequent refinement by human experts. Here, we show how the EUCLID work-flow is executed by applying it first to 239 Pu and then to 9 Be nuclear data in ENDF/B-VIII.0.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

IER-517: Molybdenum Optimized Benchmark System Demonstrating Integral Correlations (MOBY DICK)

Nuclear criticality experiments are essential to the validation of nuclear data used in simulation software. The quality of nuclear data becomes paramount as simulation software becomes more relied upon for criticality safety studies and designs of nuclear systems. To improve the quality of nuclear data, experimenters can design critical experiments that are sensitive to isotope reaction pairs in materials of interest. The efforts conducted by the Organisation for Economic Co-operation and Development - Nuclear Energy Agency (OECD-NEA) Working Party on Nuclear Criticality Safety (WPNCS) Subgroup 8: Preservation of Expert Knowledge and Judgement Applied to Criticality Benchmarks (SG8) to categorize benchmarks according to their usefulness for nuclear data validation have been of great importance. Based on the OECD studies benchmark experiments included in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook are concisely used by nuclear data evaluators, criticality safety engineers and others to validate nuclear data and simulation results. A lack of benchmarks sensitive to molybdenum in the (ICSBEP), particularly in the intermediate range, was noted by Los Alamos National Laboratory (LANL), the French Institut de Radioprotection et de Sûreté Nucléaire (IRSN), and Y-12 National Security Site prompting them to submit a joint integral experiment request to the Nuclear Criticality Safety Program (NCSP) in 2019. The request included both HEU and Plutonium systems in order to validate differential nuclear data focusing on the intermediate energy range but also includes thermal and fast configurations. This document represents the preliminary design work for a series of molybdenum integral experiments known as Molybdenum Optimized Benchmark System Demonstrating Integral Correlations (MOBY DICK).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Neutron activation of natural materials in a PWR spectrum: feedback on {sup 116m}In relative γ emission intensities and half-life

During the MAESTRO program, carried out between 2011 and 2014 in MINERVE zero power reactor, common Gen-II and Gen-III light water reactor materials were irradiated. For some of these materials, the decay of their activation products was also measured by γ spectrometry. Initially devoted to the measurement of the integral capture cross section by activation and reactivity-oscillation method, these results can also provide useful information on decay data of various radionuclides. This approach of this experiment led to a common roadmap shared by the Experimental Physics Section and the Henri Becquerel National Laboratory to improve decay data in nuclear data libraries. Results discussed in this paper concern the relative emission intensities of the main γ rays of {sup 116m}In. Six irradiations of samples with various physical forms of {sup nat}In were carried out. Measurements were analyzed using decay data from several evaluations and it is shown that γ ray activities are not consistent. Analyses were carried out to provide new relative γ emission intensities from these measurements. The {sup 116m}In half-life has also been measured and shows a good agreement with existing values. Finally, an overview of the foreseen results on additional decay data from the MAESTRO program is given. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Neutron Leakage Spectra of the EUCLID Experiment [Abstract]

Integral experiments with sub-critical and critical configurations of special nuclear material are performed in support of nuclear data validation and adjustment. Different nuclear data evaluations may have different values for individual cross sections due to uncertainties in (or lack of) differential experiments, but compensating errors in these data sets can lead to the same k eff results for one application while vastly different for another application. One example of this is 239 Pu, where both ENDF/B-VIII.0 and JEFF-3.3 correctly compute k eff of the Jezebel critical assembly, but the individual contributions from each reaction are vastly different. To help resolve this specific case, the Experiments Underpinned by Computational Learning for Improvements in Nuclear Data (EUCLID) project used machine learning to design a set of experiments to help resolve the compensating errors in 239 Pu. A total of six responses were measured during the experimental campaign, which constrain the data in ways that k eff alone cannot and will be used for adjustment of the nuclear data. One of these responses is the neutron leakage spectrum, which recent work has shown to be useful for constraining the prompt fission neutron spectrum and inelastic scattering. The neutron leakage spectra were measured utilizing a 3 in. right cylinder EJ-301D detector. The measured signal in the detector was deconvoluted using spectrum unfolding techniques, which are presented and compared to simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗