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Analysis Capability and Data Needs Identified During the Evaluation of the SILENE CAAS Benchmarks

In October 2010, a series of benchmark experiments was conducted at the Commissariat à l’Énergie Atomique et aux Énergies Alternatives (CEA) Valduc SILENE facility. These experiments were a joint effort between the US Department of Energy (DOE) and the French CEA to create three benchmarks for verification and validation of radiation transport codes, as well as evaluated nuclear data, used to analyze criticality accident alarm systems (CAASs). Many preliminary details of these experiments and their evaluation have been discussed in previous publications. The first benchmark evaluation was published in 2015, and the second and third evaluations will be published at the end of 2016.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

First Spectroscopic Results with Tin Limiter on FTU Plasma

Since the end of 2016 experiments were performed on FTU with a tin limiter, for testing liquid metals under reactor relevant thermal load up to 17 MW/m{sup 2} in nearly stationary conditions. FTU is the first tokamak in the world operating with a liquid tin limiter and one of the pioneers in liquid metal application. The preliminary analysis of the experimental data has been focused in detecting the presence of tin in the discharge: suitable monitors are the spectroscopic diagnostics in the visible and UV ranges. The experimental observation of the tin spectral lines represents a new goal for extending the database of atomic nuclear data in the plasma tokamak research. In particular, 607.8 and 645.3 nm spectral lines of SnII have been observed. In addition, all the expected spectral lines in VUV range have been detected, 20.4 nm of SnXXI and 21.9 nm and 27.6 nm of SnXXII.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Distribution of collected target debris using the large area solid debris radiochemistry collector

A large area solid radiochemistry collector was deployed at the National Ignition Facility (NIF) with a collection efficiency for post-shot, solid target debris of approximately 1% of the total 4π solid angle. The collector consisted of a 20-cm diameter vanadium foil surrounded by an aluminum side-enclosure and was fielded 50 cm from the NIF target. The collector was used on two NIF neutron yield shots, both of which had a monolayer of 238 U embedded in the capsule ablator 10 μm from the inner surface. Fission and activation products produced in the 238 U were collected, and subsequent analyses via gamma spectroscopy indicated that the distribution of fission products was not uniform, with peak and valley fission products preferentially collected on the vanadium and low- and high-mass fission products primarily located on the aluminum side-enclosure. The results from these shots will be used to design future nuclear data experiments at NIF.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

High-energy processes in solar flares

A detailed study of high-energy processes in solar flares is reported, including the production of neutrons and pions, and incorporating isobaric and scaling models and a recent compilation of pion production data (Dermer, 1986). The broad-band gamma-ray spectrum resulting from the decay of neutral pions, the bremsstrahlung of positrons and electrons from the decay of charged pions, and the annihilation in flight of positrons is evaluated. Also evaluated is the 0.511 MeV gamma-ray line resulting from the annihilation of the positrons which survive annihilation in flight. Calculations were based on an isotropic, thick-target model using the best available nuclear data and models. Results are compared with extensive observation of the June 3, 1982 flare (10-120 MeV gamma rays), 0.511 and 2.2 MeV line emission, nuclear line emission, high-energy neutrons, and interplanetary charged particles.

Murphy, R. J.↗

Neutron-induced fission measurements at the time-of-flight facility nELBE

Neutron-induced fission of ²⁴²Pu is studied at the photoneutron source nELBE. The relative fast neutron fission cross section was determined using actinide fission chambers in a time-of-flight experiment. A good agreement of present nuclear data with evalua- tions has been achieved in the range of 100 keV to 10 MeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sensitivity/Uncertainty Comparison Study Involving IRSN, LANL, and ORNL Tools to Support Validation [Abstract]

Under a DOE Nuclear Criticality Safety Program (NCSP) task involving Analytical Methods, three Laboratories collaborated in a comparison of results obtained from Sensitivity/Uncertainty (S/U) packages relevant to validation of transport codes. The task involves Institut de Radioprotection et de Sûreté Nucléaire (IRSN), Los Alamos National Laboratory (LANL), and Oak Ridge National Laboratory (ORNL) comparing results of MORET 5/MACSENS V3.0, MCNP6.2/Whisper-1.1, and SCALE 6.2.3/TSUNAMI/USLSTATS respectively. All Monte Carlo transport code results utilize nuclear data from ENDF/B-VII.1 evaluation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nuclear Resonance Vibrational Spectroscopic Definition of Peroxy Intermediates in Nonheme Iron Sites

Fe III -(hydro)peroxy intermediates have been isolated in two classes of mononuclear nonheme Fe enzymes that are important in bioremediation: the Rieske dioxygenases and the extradiol dioxygenases. The binding mode and protonation state of the peroxide moieties in these intermediates are not well-defined, due to a lack of vibrational structural data. Nuclear resonance vibrational spectroscopy (NRVS) is an important technique for obtaining vibrational information on these and other intermediates, as it is sensitive to all normal modes with Fe displacement. Here in this paper, we present the NRVS spectra of side-on Fe III -peroxy and end-on Fe III -hydroperoxy model complexes and assign these spectra using calibrated DFT calculations. We then use DFT calculations to define and understand the changes in the NRVS spectra that arise from protonation and from opening the Fe–O–O angle. This study identifies four spectroscopic handles that will enable definition of the binding mode and protonation state of Fe III -peroxy intermediates in mononuclear nonheme Fe enzymes. These structural differences are important in determining the frontier molecular orbitals available for reactivity.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Cumulative $\chi^2$ Metric for VALID for ENDF/B-VII.1 and ENDF/B-VIII.0 in SCALE 6.3b9

Nuclear data testing is generally performed in a manner similar to validation: a series of critical benchmark experiments is modeled, and the differences between calculated and expected results are examined to understand the performance of a code and cross section set. This process is repeated for multiple sets of experiments with different transport codes and sometimes with different datasets. Occasionally, data processing differences are also important in understanding the differences in calculated results. Relevant experts then meet periodically to compare results and set priorities for improvement in the next round of data updates. This process has been largely effective, despite the confounding factors of different benchmark sets, application areas, sponsors, nationalities, and the resulting different priorities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

ORNL Testing of Multiple Graphite Benchmarks [Slides]

Integral criticality safety and reactor physics benchmark experiments from the International Handbook of Evaluated Criticality Safety Benchmark Experiments (ICSBEP Handbook) and the International Handbook of Reactor Physics Experiments (IRPhE Handbook) are essential for nuclear data validation and testing

ENDF↗

Fission fragment angular anisotropy in neutron-induced fission of U 235 measured with a time projection chamber

Fission fragment angular distributions can provide an important constraint on fission theory, improving predictive fission codes, and are a prerequisite for a precise ratio cross section measurement. Available anisotropy data are sparse, especially at neutron energies above 5 MeV. For the first time, a three-dimensional tracking detector is employed to study fragment emission angles and provide a direct measurement of angular anisotropy. The Neutron Induced Fission Fragment Tracking Experiment (NIFFTE) collaboration has deployed the fission time projection chamber to measure nuclear data with unprecedented precision. The fission fragment anisotropy of 235 U has been measured over a wide range of incident neutron energies from 180 keV to 200 MeV; a careful study of the systematic uncertainties complement the data.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

CERBERUS: CED-2 Final Design Report

The goal of the Critical Experiment Reflected By copper to bEtteR Understand Scattering [CERBERUS] is to design a critical experiment that maximizes sensitivities to copper (Cu) reactions, particularly in the intermediate energy region (0.625 eV – 100 keV) as well as the 100 – 600 keV energy region. Despite the number of experiments evaluated in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook1 , there is still a lack of benchmarks sensitive to neutrons in the intermediate energy region. The ZEUS series was designed specifically to provide data in the intermediate energy range. The ZEUS series used Cu reflectors to allow for the construction of an intermediate energy system that could be constructed within a reasonable size. While the reflection provided by Cu reduces the size of the system, it creates a system that is very sensitive to the angular scattering in Cu. A neutron scattering off Cu at some angles reflects back into to the system, while at other angles, it is lost entirely. Of the ICSBEP benchmarks sensitive to neutrons in the intermediate energy region, very few are also sensitive to Cu in that region. Improving Cu nuclear data is important outside of the ZEUS series, because it is present in many bronze and aluminum alloys, which are used in various nuclear operations such as motors, wires, and some containers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Validation of Continuous-Energy ENDF/B-VIII.0 16 O, 56 Fe, and 63,65 Cu Cross Sections for Nuclear Criticality Safety Applications

Recently completed cross-section evaluations sponsored in part by the Nuclear Criticality Safety Program were incorporated into the 2018 release of the ENDF/B-VIII.0 cross-section library. Evaluated isotopes of interest to the nuclear data and criticality safety community include 16 O, 56 Fe, and 63,65 Cu. For performance validation, benchmark models defined in the International Criticality Safety Benchmark Evaluation Project Handbook were selected based on energy-integrated k eff sensitivities to total cross sections of interest and compared with experimental values. Of the 102 benchmark configurations that were utilized, 63 are sensitive to 16 O, 32 sensitive to 63,65 Cu, and 25 sensitive to 56 Fe. Selected benchmarks were modeled in SCALE 6.2.3 Criticality Safety Analysis Sequence (CSAS) continuous-energy Monte Carlo k eff calculations with ENDF/B-VII.1, with a hybrid ENDF/B-VII.1 with ENDF/B-VIII.0 data substituted for individual isotopes of interest, and with ENDF/B-VIII.0. ENDF/B-VIII.0 showed improved agreement with experimental k eff for 56 Fe, 63 Cu, elemental copper, and full library substitution while producing lessened agreement for 16 O and 65 Cu. Furthermore, with full library and isotope-specific ENDF/B-VIII.0 performance, a best-case ENDF library was formed by excluding underperforming isotopes’ ENDF/B-VIII.0 data, reverting 16 O and 65 Cu cross sections to ENDF/B-VII.1. This resulted in the average relative deviation between calculated and experimental data improving from 1.45σ for the ENDF/B-VIII.0 library to 1.32σ for the best-case library, relative to benchmark uncertainty.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Release of NDI 2.2.0beta

The Nuclear Data Interface 2.2.0beta has been released. Compared to NDI 2.2.0alpha, it provides minor changes to the build system and fixes problems with the binary and dedx tests.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Application of Multivariate Data Analysis Techniques for the Portable Isotopic Neutron Spectroscopy system

The Portable Isotopic Neutron Spectroscopy (PINS) is a commercialized system developed by Idaho National Laboratory (INL) to examine chemical compounds non-destructively, utilizing Prompt Gamma Neutron Activation Analysis (PGNAA) techniques. The PINS systems have been successfully deployed around the world to identify chemical munitions and containers. The PINS system takes advantage of a high-resolution gamma-ray spectrum from a high-purity germanium (HPGe) detector, and gamma-ray peak analysis provides input to its chemical identification logic with the probabilistic decision tree (PDT). Gamma-ray peak analyses, however, require knowledge of pre-selected gamma-ray peaks whose energies, intensities, and origins are well studied, and some peaks might be excluded from the decision making processes due to lack of current nuclear data. In contrast, Multivariate Analysis (MVA) treats a whole gamma-ray spectrum as a collection of multiple variables or a pattern. The effectiveness of chemical identification algorithm is determined by the availability of a wide range of data to train an algorithm to identify chemical fills with accuracy. INL has a collection of gamma-ray spectra of various chemical-fills from the field-deployed PINS systems over the years, and it was envisaged to combine such a database with the principle of multivariate statistics. Therefore, in parallel with the current decision tree algorithm, an MVA-based chemical identification algorithm was developed as an independent verification of the current results. The Principal Component Analysis (PCA) method was adopted to build an MVA-based identification algorithm, using the collected field data to refine and validate the algorithm. A benchmarking study of the MVA-based algorithm’s performance was conducted alongside the current algorithm, with the results presented and discussed in this study.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Science & Technology Review: September 2016

This is the September issue of the Lawrence Livermore National Laboratory's Science & Technology Review, which communicates, to a broad audience, the Laboratory’s scientific and technological accomplishments in fulfilling its primary missions. This month, there are features on "Laboratory Investments Drive Computational Advances" and "Laying the Groundwork for Extreme-Scale Computing." Research highlights include "Nuclear Data Moves into the 21st Century", "Peering into the Future of Lick Observatory", and "Facility Drives Hydrogen Vehicle Innovations."

08 HYDROGEN↗

Self-consistent calculations of alpha-decay energies

On the basis of the self-consistent theory of finite Fermi systems, the energies of alphadecay chains were calculated for several new superheavy nuclei discovered recently in experiments of the Dubna-Livermore Collaboration headed by Yu.Ts. Oganessian. The approach in question is implemented on the basis of the generalized method of the density functional proposed by Fayans and his coauthors. The version used here relies on the functional DF3-a proposed recently for describing a wide array of nuclear data, including data on superheavy nuclei. A detailed comparison of the results obtained on this basis with the predictions of different approaches, including the self-consistent Skyrme-Hartree-Fock method, the micro-macro method in the version developed by Sobiczewski and his coauthors, and the phenomenological method of Liran and his coauthors, is performed. The resulting alpha-decay energies are used to calculate respective lifetimes with the aid of the phenomenological Parkhomenko-Sobiczewski formula.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Optimized design of reactor cores for continuous operation of Belgian nuclear power plants

Two Belgian nuclear power plants, owned and operated by Electrabel, were initially planned to be phased out in 2015, reaching their maximum life time of operation by the initial design. The fuel management of those two units has been subsequently designed by Tractebel to make the best use of the energy in the fuel assemblies either in the core or in the storage pool and to minimize the size of the fresh reloads in the terminating cycles. However, for ensuring energy security in Belgium, the Government decided in the same year to extend the life time of operation of the two units for 10 years, which raised the need to resume their continuous operation, in the opposite direction of the core contents and with a significant break in the usual sequence of cycle reloads. All this required adaptation of the tools and process for optimized reactor core design, in order to ensure the continuous and flexible operation of those units. The Tractebel LWRWIMS-PANTHER (LWP) core physics package is based on the 3-dimensional (3D) neutronic code PANTHER and the lattice code LWRWIMS for the generation of the assembly nuclear data. Both have been qualified by Tractebel for the Belgian Units to perform a complete range of PWR reactor calculations for fuel management design safety parameters assessment, transient analysis and operational support. In-core fuel management involves calculating core reactivity, power distribution and isotopic inventory for subsequent fuel cycles of a nuclear power plant in order to maintain adequate safety margins and operating lifetime for each core loading. This paper presents Tractebel's improved core design tools and process, the approach to optimize the reactor core design, and the applications to the 2 successive but opposite design requirements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗