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AIACHNE's contribution for Nuclear Energy Agency Working Party on International Nuclear Data Evaluation Co-operation Subgroup 50

The AIACHNE (AI/ML Informed cAlifornium CHi Nuclear data Experiment) project aims at designing an experiment for the 252 Cf Prompt Fission Neutron Spectrum (PFNS) that explores systematic biases in an experimental database retrieved from the EXFOR databases. To that end, machine learning (ML) methods were applied to pint-point measurement features likely related to bia. From that information, we selected a feature that should be explored by the AIACHNE experiment. Measurement features are metadata encapsulating all pertinent information about the physical measurement and analysis techniques. Examples are, for instance, what neutron and fission detectors were used for the physical metadata, and what background reduction techniques were employed for analysis techniques. Such metadata were retrieved both from EXFOR entries as well as the literature of data sets described in detail in Ref. [2]. The prerequisite for applying machine learning techniques is casting the metadata into a format that can be parsed by the algorithm. This step might seem trivial but requires to find a unique language where metadata that carry the same physics meaning across several experiments must have the same identifier. One example is, for instance, the neutron detector. As seen in Figure 1, the machine learning code identified the use of 6 Li detectors as being related to bias in some datasets of the AIACHNE 252 Cf PFNS experimental database. In fact, here are several experiments that used neutron detectors containing 6Li in the database, for instance for the example below. EXFOR format has a unique keywords describing detectors such as “SCIN” or “GLASD”. One may think that these keywords are already sufficient descriptors for ML to uniquely find an issue. However, “SCIN” (used for [3, 4]) and “GLASD” (used for [5]) fail to inform the algorithm what is the active material in the detector. And, the key common issue leading to bias in 252 Cf related to neutron detectors is not whether it is a glass detector or a scintillator. No, the issue is that 6 Li was within both detector types and that even small mistakes in the detector response functions around approximately 200 keV are amplified by the 6 Li(n,α) resonance there leading to bias in data as highlighted in Fig. 1 and Ref. [1]. Hence, the features describing the neutron detector must call out the active material in the detector, rather than the existing EXFOR detector keyword, that the ML algorithm can find physically meaningful features related to bias. The AIACHNE team used a precursor of the WPEC (Working Party on International Nuclear Data Evaluation Co-operation) SG(Subgroup)-50 format to store the metadata for the ML analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Using Whisper-1.1 to Guide Improvements to Nuclear Data Evaluations [Slides]

This presentation covers the use of Whisper-1.1 to guide improvements to nuclear data evaluations. This presentation provides a brief overview on what Whisper-1.1 is. Additionally covered is the benchmark selection: using benchmark and application correlations (ck) computed using nuclear data sensitivity profiles and covariance data. Next the presentation touches on compute bias and bias uncertainty based on selected benchmarks using Extreme Value Theory Finally the presentation shows the additional margin for nuclear data uncertainty estimated by GLLS.

97 MATHEMATICS AND COMPUTING↗

Using Whisper-1.1 to Guide Improvements to Nuclear Data Evaluations

Along with the latest release of the general purpose Monte Carlo radiation transport code, MCNP6.2, came the first officially released version of Whisper, version 1.1, a statistical analysis code used for nuclear criticality safety (NCS) validation. The Whisper software package is primarily used to calculate the upper subcritical limit (USL) of a particular application case along with components of the margin of subcriticality (MOS). In the calculation of the MOS due to nuclear data uncertainties, Whisper uses the generalized linear-least-squares (GLLS) approach to obtain adjusted nuclear data uncertainties which are then propagated to estimate the nuclear data uncertainties in the k eff of the application. Due to the fact that Whisper contains the simulated and measured k eff values for over 1100 benchmarks, nuclear data sensitivity profiles for each benchmark along with the nuclear data covariance matrices, all of which are used in the GLLS method, it is possible to easily utilize these data available to help guide improvements to nuclear data evaluations. In the present work, the Whisper data and the GLLS method are used together to suggest an adjusted nuclear data cross section evaluation specifically for 233 U such that the agreement between the calculated and experimental k eff measurements of the relevant benchmarks are improved. With this adjusted nuclear data available, feedback to the theoretical and experimental nuclear data community is provided.

97 MATHEMATICS AND COMPUTING↗

Using Whisper-1.1 to guide improvements to nuclear data evaluations

Along with the latest release of the general purpose Monte Carlo radiation transport code, MCNP6.2, came the first officially released version of Whisper, version 1.1, a statistical analysis code used for nuclear criticality safety (NCS) validation. The Whisper software package is primarily used to calculate the upper subcritical limit (USL) of a particular application case along with components of the margin of subcriticality (MOS). In the calculation of the MOS due to nuclear data uncertainties, Whisper uses the generalized linear-least-squares (GLLS) approach to obtain adjusted nuclear data uncertainties which are then propagated to estimate the nuclear data uncertainties in the k{sub eff} of the application. Due to the fact that Whisper contains the simulated and measured k{sub eff} values for over 1100 benchmarks, nuclear data sensitivity profiles for each benchmark along with the nuclear data covariance matrices, all of which are used in the GLLS method, it is possible to easily utilize these data available to help guide improvements to nuclear data evaluations. In the present work, the Whisper data and the GLLS method are used together to suggest an adjusted nuclear data cross section evaluation specifically for {sup 233}U such that the agreement between the calculated and experimental k{sub eff} measurements of the relevant benchmarks are improved. With this adjusted nuclear data available, feedback to the theoretical and experimental nuclear data community is provided. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

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↗

2009.3 Revision of the Evaluated Nuclear Data Library (ENDL2009.3)

LLNL's Computational Nuclear Data and Theory Group have created a 2009.3 revised release of the Evaluated Nuclear Data Library (ENDL2009.3). This library is designed to support LLNL's current and future nuclear data needs and will be employed in nuclear reactor, nuclear security and stockpile stewardship simulations with ASC codes. The ENDL2009 database was the most complete nuclear database for Monte Carlo and deterministic transport of neutrons and charged particles. It was assembled with strong support from the ASC PEM and Attribution programs, leveraged with support from Campaign 4 and the DOE/Office of Science's US Nuclear Data Program. This document lists the revisions and fixes made in a new release called ENDL2009.3, by com- paring with the existing data in the previous release ENDL2009.2. These changes are made in conjunction with the revisions for ENDL2011.3, so that both the .3 releases are as free as possible of known defects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

ENDF-6 Formats Manual - Data Formats and Procedures for the Evaluated Nuclear Data Files ENDF/B-VI, ENDF/B-VII and ENDF/B-VIII

This revision of “ENDF-6 Formats Manual” pertains to version 6 of the ENDF formats. The seventh and eighth versions of the ENDF/B library, namely ENDF/B-VII and ENDF/B VIII, use the ENDF-6 format. The manual is based on the previous version of the document, revised in June 2005, In some cases the older version from October 1991 was consulted in order to resolve some ambiguities and errors that were introduced when the reference document was translated from WordPerfect in Word format.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

2011.5 Revision of the Evaluated Nuclear Data Library: ENDL2011.5 (legacy and GNDS), and ENDL2011.5-direct

LLNL’s Nuclear Data and Theory Group has created the 2011.5 revised release of the Evaluated Nuclear Data Library (ENDL2011.5). ENDL2011.5 is designed to support LLNL’s current and future nuclear data needs and will be employed in nuclear reactor, nuclear security and stockpile stewardship simulations with ASC codes. This database is currently the most complete nuclear database for Monte Carlo and deterministic transport of neutrons and charged particles. This library was assembled with strong support from the ASC PEM and Attribution programs, leveraged with support from Campaign 4 and the DOE/Office of Science’s US Nuclear Data Program. This document lists the revisions made in ENDL2011.5 compared with the data existing in the original ENDL2011.2 and ENDL2011.3 releases. These changes are made in parallel with some similar revisions for ENDL2009.5. We also describe ENDL2011.5-direct that directly uses ENDF sources wherever possible.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Evaluated Nuclear Data Library, with ENDL2009.5-direct (2009.5 Rev.)

LLNL’s Nuclear Data and Theory Group have created a 2009.5 revised release of the Evaluated Nuclear Data Library (ENDL2009.5). This library is designed to support LLNL’s current and future nuclear data needs and will be employed in nuclear reactor, nuclear security and stockpile stewardship simulations with ASC codes. The ENDL2009 database was the most complete nuclear database for Monte Carlo and deterministic transport of neutrons and charged particles. It was assembled with strong support from the ASC PEM and Attribution programs, leveraged with support from Campaign 4 and the DOE/Office of Science’s US Nuclear Data Program. This document lists the revisions and fixes made in a new release called ENDL2009.5, by comparing with the existing data in the previous releases ENDL2009.3 and ENDL2009.4. In addition to the legacy library ENDL2009.5 from ENDL-format files generated by Fete, an ENDL2009.5-direct library is also released, in which ENDF6-formatted sources are used wherever possible to avoid possible translation errors from Fete.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Advancements in nuclear data evaluations in the unresolved resonance region [Slides]

Minimal updates to current capabilities (SAMMY/AMPX) and to the ENDF format are proposed to include threshold reaction for outgoing charged-particle channels in the URR formalism. If average resonance parameters are reported, probability tables for newly defined reactions channels may be needed, implemented, and tested. Nuclear data evaluation of n+ 35 Cl reactions can be considered the best case to apply the proposed updates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Reasons for 2011 Release of the Evaluated Nuclear Data Library (ENDL2011.0)

LLNL's Computational Nuclear Physics Group and Nuclear Theory and Modeling Group have collaborated to create the 2011 release of the Evaluated Nuclear Data Library (ENDL2011). ENDL2011 is designed to sup- port LLNL's current and future nuclear data needs. This database is currently the most complete nuclear database for Monte Carlo and deterministic transport of neutrons and charged particles, surpassing ENDL2009.0 [1]. The ENDL2011 release [2] contains 918 transport-ready eval- uations in the neutron sub-library alone. ENDL2011 was assembled with strong support from the ASC program, leveraged with support from NNSA science campaigns and the DOE/Offce of Science US Nuclear Data Pro- gram.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

2011.2 Revision of the Evaluated Nuclear Data Library (ENDL2011.2)

LLNL's Computational Nuclear Physics Group and Nuclear Theory and Modeling Group have col- laborated to create the 2011.2 revised release of the Evaluated Nuclear Data Library (ENDL2011.2). ENDL2011.2 is designed to support LLNL's current and future nuclear data needs and will be em- ployed in nuclear reactor, nuclear security and stockpile stewardship simulations with ASC codes. This database is currently the most complete nuclear database for Monte Carlo and deterministic transport of neutrons and charged particles. This library was assembled with strong support from the ASC PEM and Attribution programs, leveraged with support from Campaign 4 and the DOE/O ce of Science's US Nuclear Data Program. This document lists the revisions made in ENDL2011.2 compared with the data existing in the original ENDL2011.0 release and the ENDL2011.1-rc4 re- lease candidate of April 2015. These changes are made in parallel with some similar revisions for ENDL2009.2.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Definitions for Testing Whether Evaluated Nuclear Data Relative Uncertainties are Realistic in Size

This document describes various tests that can be used to check whether evaluated relative uncertainties stored in nuclear-data covariances are realistic. To be more specific, these tests check whether nuclear-data uncertainties could be either over- or under-estimated given the input that usually enters the evaluation of nuclear-data mean values and covariances. Warning and error messages on the reliability of nuclear-data uncertainties will result from these tests. If uncertainties of one specific nuclear-data observable trigger warning messages from multiple tests, an evaluator should counter-check the reliability of the relative uncertainties of this particular nuclear-data covariance matrix.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

AIACHNE's contribution for Nuclear Energy Agency Working Party on International Nuclear Data Evaluation Co-operation Subgroup 50

The AIACHNE (AI/ML Informed cAlifornium CHi Nuclear data Experiment) project aims at designing an experiment for the 252 Cf Prompt Fission Neutron Spectrum (PFNS) that explores systematic biases in an experimental database retrieved from the EXFOR databases. To that end, machine learning (ML) methods were applied to pint-point measurement features likely related to bias. From that information, we selected a feature that should be explored by the AIACHNE experiment. Measurement features are metadata encapsulating all pertinent information about the physical measurement and analysis techniques. Examples are, for instance, what neutron and fission detectors were used for the physical metadata, and what background reduction techniques were employed for analysis techniques. Such metadata were retrieved both from EXFOR entries as well as the literature of data sets described in detail in Reference 2 (at the end of the article).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Improvements of Nuclear Data Evaluations for Lead Isotopes in Support of Next Generation Lead-Cooled Fast Systems

The neutron evaluation of the isotopes that comprise natural lead were undertaken as a part of DOE-NEUP Project #19-16739. The goal of the project was to update the neutron cross sections to account for new differential measurements and incorporate the most up-to-date physics. Shortcomings in the lead cross sections was made known by several independent reports. The work performed here repeated the simulation of all the “benchmark” validation systems and concluded that the major issue is the scattering cross sections in the major lead isotopes above 100 keV. Re-evaluation of 206,207,208 Pb included both the resolved resonance region and fast region evaluations of the cross sections. Combined these regions cover energies from thermal to 20 MeV. The most drastic improvement is the resolved resonance region evaluation of 208 Pb which is now extended from 1.0 to 1.5 MeV. Parameterization of these resonances in the R-matrix provides a superior reconstruction of not only the experimental cross section but also the scattering distributions via the Blatt-Biedenharn formalism. Fast region evaluations of the three major isotopes were done to include new inelastic experimental data from the neutron Time-of-Flight facility at CERN. The culmination of all the changes to the cross section is a drastic improvement in the scattering kernel as shown in Rensselaer Polytechnic Institute (RPI) Quasi-Differential scattering measurements and improved prediction of keff for fast integral experiments. Alongside the new cross sections, new nuclear data covariance (uncertainties) have been computed and are included in the evaluation. Little is changed in the magnitude of the uncertainties but the correlations within the covariance display non-trivial changes. The new evaluations of 206,207,208 Pb have been submitted to the National Nuclear Data Center to be included in the ENDF/B-VIII.1 library. While the cross sections have been updated extensively, knowledge and modeling of the cross sections between 1.0 and 3.0 MeV for the isotopes remain a challenge. Most notably is the double differential elastic cross section for 208 Pb and 206 Pb. New quasi-differential measurements for pure samples of these two nuclei would go a long way in reducing compensating errors in the evaluations. Qualitatively, the project has produced a prosperous collaboration between the nuclear data group at RPI with staff scientists at Brookhaven National Laboratory, Naval Nuclear Laboratory, Oak Ridge National Laboratory, Los Alamos National Laboratory, Lawrence Livermore National Laboratory, and Sandia National Laboratories. Quantitatively this is reflected in seven conference presentations, at least one journal submission, and one doctoral thesis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nuclear Reaction Data Evaluations for Nuclear Applications Physics and modeling [Slides]

This presentation provides an evaluation workflow scheme for the project. It also discusses nuclear data libraries, including an overview of worldwide nuclear data libraries and current funding agencies. The presentation also discusses the theoretical framework commonly used in the evaluated work, including the R-matrix theory (≈ up to a few keVs for heavy nuclei) as well as pre-equilibrium (PE) and Hauser-Feshbach (HF) theory (⪆1 MeV for medium/heavy nuclei). Inclusion of experimental effects are also discussed. Examples of evaluated work, including theory, experiments, and applications are discussed, specifically n+ 28,29,30 Si evaluation (direct capture component), n+ 53 Cr evaluation (strong multiple scattering effects), n+ 239 Pu(n,γf) reaction (fluctuations in neutron multiplicities), and α+ 17,18 O evaluations (emerging neutron spectra).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗