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Report on the Second ARM Mobile Facility (AMF2) Roll, Pitch, and Heave (RPH) Stabilization Platform: Design and Evaluation

One of the primary objectives of the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) Climate Research Facility’s second Mobile Facility (AMF2) is to obtain reliable measurements of solar, surface, and atmospheric radiation, as well as cloud and atmospheric properties, from ocean-going vessels. To ensure that these climatic measurements are representative and accurate, many AMF2 instrument systems are designed to collect data in a zenith orientation. A pillar of the AMF2 strategy in this effort is the use of a stable platform. The purpose of the platform is to 1) mitigate vessel motion for instruments that require a truly vertical orientation and keep them pointed in the zenith direction, and 2) allow for accurate positioning for viewing or shading of the sensors from direct sunlight. Numerous ARM instruments fall into these categories, but perhaps the most important are the vertically pointing cloud radars, for which vertical motions are a critical parameter. During the design and construction phase of AMF2, an inexpensive stable platform was purchased to perform the stabilization tasks for some of these instruments. The first table compensated for roll, pitch, and yaw (RPY) and was reported upon in a previous technical report (Kafle and Coulter, 2012). Subsequently, a second table was purchased specifically for operation with the Marine W-band cloud radar (MWACR). Computer programs originally developed for RPY were modified to communicate with the new platform controller and with an inertial measurements platform that measures true ship motion components (roll, pitch, yaw, surge, sway, and heave). This platform could not be tested dynamically for RPY because of time constraints requiring its deployment aboard the container ship Horizon Spirit in September 2013. Hence the initial motion tests were conducted on the initial cruise. Subsequent cruises provided additional test results. The platform, as tested, meets all the design and performance criteria established for its use. This is a report of the results of those efforts and the critical points in moving forward

54 ENVIRONMENTAL SCIENCES↗

Permutation-adapted complete and independent basis for atomic cluster expansion descriptors

In many recent applications, particularly in the field of atom-centered descriptors for interatomic potentials, tensor products of spherical harmonics have been used to characterize complex atomic environments. When coupled with a radial basis, the atomic cluster expansion (ACE) basis is obtained. However, symmetrization with respect to both rotation and permutation results in an overcomplete set of ACE descriptors with linear dependencies occurring within blocks of functions corresponding to particular generalized Wigner symbols. All practical applications of ACE employ semi-numerical constructions to generate a complete, fully independent basis. While computationally tractable, the resultant basis cannot be expressed analytically, is susceptible to numerical instability, and thus has limited reproducibility. Here we present a procedure for generating explicit analytic expressions for a complete and independent set of ACE descriptors. The procedure uses a coupling scheme that is maximally symmetric w.r.t. permutation of the atoms, exposing the permutational symmetries of the generalized Wigner symbols, and yields a permutation-adapted rotationally and permutationally invariant basis (PA-RPI ACE). Theoretical support for the approach is presented, as well as numerical evidence of completeness and independence. A summary of explicit enumeration of PA-RPI functions up to rank 6 and polynomial degree 32 is provided. The PA-RPI blocks corresponding to particular generalized Wigner symbols may be either larger or smaller than the corresponding blocks in the simpler rotationally invariant basis. Finally, we demonstrate that basis functions of high polynomial degree persist under strong regularization, indicating the importance of not restricting the maximum degree of basis functions in ACE models a priori.

74 ATOMIC AND MOLECULAR PHYSICS↗

Status Report of Joint RPI/ORNL NCSP Task for Thermal Neutron Total Cross Section Measurements

A new cold neutron moderator system was developed and constructed at the Rensselaer Polytechnic Institute (RPI) Gaerttner Linear Accelerator. This system was then used to measure the neutron total cross section in the thermal energy range for polyethylene, polystyrene, Lucite, and yttrium hydride. In tandem with these measurements, a fitting procedure was developed at Oak Ridge National Laboratory to vary computationally simulated phonon density of states until a fit with differential and integral data was achieved. This model, combined with the new RPI total cross section data, was used to generate thermal scattering law files for the materials measured at RPI.

36 MATERIALS SCIENCE↗

CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii

Toxoplasma gondii, an Apicomplexan parasite, causes significant morbidity and mortality, including severe disease in immunocompromised hosts and devastating congenital disease, with no effective treatment for the bradyzoite stage. To address this, we used the Tropical Disease Research database, crystallography, molecular modeling, and antisense to identify and characterize a range of potential therapeutic targets for toxoplasmosis. Phosphoglycerate mutase II (PGMII), nucleoside diphosphate kinase (NDK), ribulose phosphate 3-epimerase (RPE), ribose-5-phosphate isomerase (RPI), and ornithine aminotransferase (OAT) were structurally characterized. Crystallography revealed insights into the overall structure, protein oligomeric states and molecular details of active sites important for ligand recognition. Literature and molecular modeling suggested potential inhibitors and druggability. The targets were further studied with vivoPMO to interrupt enzyme synthesis, identifying the targets as potentially important to parasitic replication and, therefore, of therapeutic interest. Targeted vivoPMO resulted in statistically significant perturbation of parasite replication without concomitant host cell toxicity, consistent with a previous CRISPR/Cas9 screen showing PGM, RPE, and RPI contribute to parasite fitness. PGM, RPE, and RPI have the greatest promise for affecting replication in tachyzoites. These targets are shared between other medically important parasites and may have wider therapeutic potential.

59 BASIC BIOLOGICAL SCIENCES↗

The Onset of Nucleate Boiling Prediction in a Mini Channel with the Eulerian Multiphase Flow

The prediction of boiling incipience is a critical issue for a reactor. Vapor lock causes operating instability and undesirable temperature rise, especially for small channels. This study uses the Eulerian multiphase flow boiling model to predict the onset of nucleate boiling in a millimeter scale rectangular channel. Two wall boiling models, namely the RPI (Rensselaer Polytechnic Institute) and the non-equilibrium sub cooled model are applied. Computational fluid dynamics is employed for this study to investigate the impact of operating conditions like liquid flow rate, operating pressure, heat flux, velocity profile, turbulence model, and inlet liquid temperature. Here, the effect of fundamental boiling parameters on the surface wall temperature and vapor volume fraction is also studied. The parameters under consideration are the bubble departure diameter, bubble departure frequency, nucleate site density, quenching time period, and interface heat transfer coefficients. A series of CFD calculations is conducted by varying the considered variables systematically in a wide range of flow conditions covering laminar, transition, and turbulent flows. The sub-component heat fluxes like the liquid convective, the vapor convective, the evaporative, and the quenching terms are monitored to infer the boiling dynamics in the transition region from the single-phase flow to the nucleate boiling zone. It is found that the CFD approach to detecting the boiling incipience point agrees reasonably with available experimental data. However, its limitations, like inaccuracy for lower flow rates and early transition to boiling flow, are also noticed due to the nature of the considered RPI model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Measurement of Fission Neutron Spectrum and Multiplicity using a Gamma Tag Double Time-of-flight Setup

Recent efforts have been made to improve the prompt fission neutron spectrum and nu-bar measurements for Uranium and Plutonium isotopes particularly in the keV region. A system has been designed at Rensselaer Polytechnic Institute (RPI) utilizing an array of EJ-301 liquid scintillators as well as lithium glass and plastic scintillators to experimentally determine these values. An array of BaF2 detectors was recently obtained from Oak Ridge National Laboratory to be used in conjunction with the neutron detectors. The system uses a novel gamma tagging method for fission which can offer an improvement over conventional fission chambers due to increased sample mass. A coincidence requirement on the gamma detectors from prompt fission gammas is used as the fission tag for the system as opposed to fission fragments in a conventional fission chamber. The system utilizes pulse digitization using Acqiris 8 bit digitizer boards which allow for gamma/neutron pulse height discrimination on the liquid scintillators during post processing. Additionally, a 252Cf fission chamber was designed and constructed at RPI which allowed for optimization and testing of the system without the need for an external neutron source. The characteristics of the gamma tagging method such as false detection rate and detection efficiency were determined using this fission chamber and verified using MCNP Polimi modeling. Prompt fission neutron spectrum data has been taken using the fission chamber focusing on the minimum detectable neutron energy for each of the various detectors. Plastic scintillators were found to offer a significant improvement over traditional liquid scintillators allowing energy measurements down to 50 keV. Background was also characterized for all detectors and will be discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Metal fuel relocation experiments with pressure injection

A pool-type sodium-cooled fast reactor (SFR) using metal fuels has a number of inherent safety features that can support benign consequences for design basis accidents (DBAs). Even in postulated severe accident conditions, the core is designed to remain under sub-critical condition in a passive coolable geometry. In case of the postulated severe accidents in SFRs, fuel relocation in the core region along the coolant channel is an important negative reactivity feedback factor that lowers the reactor power level and consequently eliminates the possibility of recriticality. Therefore, understanding the relocation behavior of fuels and the coolability of the relocated fuels in the postulated severe accident is one of the most important factors in the safety assessment of SFRs. In the present study, the relocation behavior of the metal fuel in a pin bundle geometry was investigated by injecting the metal fuels into the coolant channels with pressure. The first metal fuel relocation with pressure injection (RPI-1) experiment showed that many of the metal fuels levitated to upper plenum. In case of RPI-2 experiment, the Real Time X-ray Video System (RTXVS) was constructed and used to obtain a real time X-ray video of the experiment. This real time X-ray video clearly showed the relocation behavior of the pressure injected metallic uranium in the sodium coolant channel. Through this video, it was confirmed that part of the fuel was dispersed downward and part of the fuel was dispersed upward, and the relocation behavior of the injected fuel proceeded simultaneously in the downward and upward directions. So, it can be concluded that in case of pressure injection of the metallic fuel, there is a possibility that the metallic fuel can be quickly removed from the core region, resulting in a negative reactivity feedback effect.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Rapid sampling of stochastic displacements in Brownian dynamics simulations

Here, we present a new method for sampling stochastic displacements in Brownian Dynamics (BD) simulations of colloidal scale particles. The method relies on a new formulation for Ewald summation of the Rotne-Prager-Yamakawa (RPY) tensor, which guarantees that the real-space and wave-space contributions to the tensor are independently symmetric and positive-definite for all possible particle configurations. Brownian displacements are drawn from a superposition of two independent samples: a wave-space (far-field or long-ranged) contribution, computed using techniques from fluctuating hydrodynamics and non-uniform fast Fourier transforms; and a real-space (near-field or short-ranged) correction, computed using a Krylov subspace method. The combined computational complexity of drawing these two independent samples scales linearly with the number of particles. The proposed method circumvents the super-linear scaling exhibited by all known iterative sampling methods applied directly to the RPY tensor that results from the power law growth of the condition number of tensor with the number of particles. For geometrically dense microstructures (fractal dimension equal three), the performance is independent of volume fraction, while for tenuous microstructures (fractal dimension less than three), such as gels and polymer solutions, the performance improves with decreasing volume fraction. This is in stark contrast with other related linear-scaling methods such as the force coupling method and the fluctuating immersed boundary method, for which performance degrades with decreasing volume fraction. Calculations for hard sphere dispersions and colloidal gels are illustrated and used to explore the role of microstructure on performance of the algorithm. In practice, the logarithmic part of the predicted scaling is not observed and the algorithm scales linearly for up to 4×10 6 particles, obtaining speed ups of over an order of magnitude over existing iterative methods, and making the cost of computing Brownian displacements comparable to the cost of computing deterministic displacements in BD simulations. Finally, a high-performance implementation employing non-uniform fast Fourier transforms implemented on graphics processing units and integrated with the software package HOOMD-blue is used for benchmarking.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Large scale Brownian dynamics of confined suspensions of rigid particles

We introduce methods for large-scale Brownian Dynamics (BD) simulation of many rigid particles of arbitrary shape suspended in a fluctuating fluid. Our method adds Brownian motion to the rigid multiblob method [F. Balboa Usabiaga et al., Commun. Appl. Math. Comput. Sci. 11(2), 217–296 (2016)] at a cost comparable to the cost of deterministic simulations. We demonstrate that we can efficiently generate deterministic and random displacements for many particles using preconditioned Krylov iterative methods, if kernel methods to efficiently compute the action of the Rotne-Prager-Yamakawa (RPY) mobility matrix and its “square” root are available for the given boundary conditions. These kernel operations can be computed with near linear scaling for periodic domains using the positively split Ewald method. Here we study particles partially confined by gravity above a no-slip bottom wall using a graphical processing unit implementation of the mobility matrix-vector product, combined with a preconditioned Lanczos iteration for generating Brownian displacements. We address a major challenge in large-scale BD simulations, capturing the stochastic drift term that arises because of the configuration-dependent mobility. Unlike the widely used Fixman midpoint scheme, our methods utilize random finite differences and do not require the solution of resistance problems or the computation of the action of the inverse square root of the RPY mobility matrix. We construct two temporal schemes which are viable for large-scale simulations, an Euler-Maruyama traction scheme and a trapezoidal slip scheme, which minimize the number of mobility problems to be solved per time step while capturing the required stochastic drift terms. We validate and compare these schemes numerically by modeling suspensions of boomerang-shaped particles sedimented near a bottom wall. Using the trapezoidal scheme, we investigate the steady-state active motion in dense suspensions of confined microrollers, whose height above the wall is set by a combination of thermal noise and active flows. We find the existence of two populations of active particles, slower ones closer to the bottom and faster ones above them, and demonstrate that our method provides quantitative accuracy even with relatively coarse resolutions of the particle geometry.

97 MATHEMATICS AND COMPUTING↗

Uncertainty in linewidth quantification of overlapping Raman bands

Spectral linewidths are used to assess a variety of physical properties, even as spectral overlap makes quantitative extraction difficult owing to uncertainty. Uncertainty, in turn, can be minimized with the choice of appropriate experimental conditions used in spectral collection. In response, we assess the experimental factors dictating uncertainty in the quantification of linewidth from a Raman experiment highlighting the comparative influence of (1) spectral resolution, (2) signal to noise, and (3) relative peak intensity (RPI) of the overlapping peaks. Practically, Raman spectra of SiGe thin films were obtained experimentally and simulated virtually under a variety of conditions. RPI is found to be the most impactful parameter in specifying linewidth followed by the spectral resolution and signal to noise. As a result, while developed for Raman experiments, the results are generally applicable to spectroscopic linewidth studies illuminating the experimental trade-offs inherent in quantification.

47 OTHER INSTRUMENTATION↗

SU-F-BRB-02: Towards Quantitative Clinical Decision On Deep Inspiration Breath Hold (DIBH) Or Prone for Left-Sided Breast Irradiation

Purpose: To develop quantitative clinical guidelines between supine Deep Inspiratory Breath Hold (DIBH) and prone free breathing treatments for breast patients, we applied 3D deformable phantoms to perform Monte Carlo simulation to predict corresponding Dose to the Organs at Risk (OARs). Methods: The RPI-adult female phantom (two selected cup sizes: A and D) was used to represent the female patient, and it was simulated using the MCNP6 Monte Carlo code. Doses to OARs were investigated for supine DIBH and prone treatments, considering two breast sizes. The fluence maps of the 6-MV opposed tangential fields were exported. In the Monte Carlo simulation, the fluence maps allow each simulated photon particle to be weighed in the final dose calculation. The relative error of all dose calculations was kept below 5% by simulating 3*10{sup 7} photons for each projection. Results: In terms of dosimetric accuracy, the RPI Adult Female phantom with cup size D in DIBH positioning matched with a DIBH treatment plan of the patient. Based on the simulation results, for cup size D phantom, prone positioning reduced the cardiac dose and the dose to other OARs, while cup size A phantom benefits more from DIBH positioning. Comparing simulation results for cup size A and D phantom, dose to OARs was generally higher for the large breast size due to increased scattering arising from a larger portion of the body in the primary beam. The lower dose that was registered for the heart in the large breast phantom in prone positioning was due to the increase of the distance between the heart and the primary beam when the breast was pendulous. Conclusion: Our 3D deformable phantom appears an excellent tool to predict dose to the OARs for the supine DIBH and prone positions, which might help quantitative clinical decisions. Further investigation will be conducted. National Institutes of Health R01EB015478.

60 APPLIED LIFE SCIENCES↗

Estimating contact rates at a mass gathering by using video analysis: a proof-of-concept project

Current approaches for estimating social mixing patterns and infectious disease transmission at mass gatherings have been limited by various constraints, including low participation rates for volunteer-based research projects and challenges in quantifying spatially and temporally accurate person-to-person interactions. We developed a proof-of-concept project to assess the use of automated video analysis for estimating contact rates of attendees of the GameFest 2013 event at Rensselaer Polytechnic Institute (RPI) in Troy, New York. Video tracking and analysis algorithms were used to estimate the number and duration of contacts for 5 attendees during a 3-minute clip from the RPI video. Attendees were considered to have a contact event if the distance between them and another person was ≤1 meter. Contact duration was estimated in seconds. We also simulated 50 attendees assuming random mixing using a geospatially accurate representation of the same GameFest location. The 5 attendees had an overall median of 2 contact events during the 3-minute video clip (range: 0 6). Contact events varied from less than 5 seconds to the full duration of the 3- minute clip. The random mixing simulation was visualized and presented as a contrasting example. We were able to estimate the number and duration of contacts for five GameFest attendees from a 3-minute video clip that can be compared to a random mixing simulation model at the same location. In conclusion, the next phase will involve scaling the system for simultaneous analysis of mixing patterns from hours-long videos and comparing our results with other approaches for collecting contact data from mass gathering attendees.

59 BASIC BIOLOGICAL SCIENCES↗

Randomized probe imaging through deep k-learning

Randomized probe imaging (RPI) is a single-frame diffractive imaging method that uses highly randomized light to reconstruct the spatial features of a scattering object. The reconstruction process, known as phase retrieval, aims to recover a unique solution for the object without measuring the far-field phase information. Typically, reconstruction is done via time-consuming iterative algorithms. In this work, we propose a fast and efficient deep learning based method to reconstruct phase objects from RPI data. The method, which we call deep k-learning, applies the physical propagation operator to generate an approximation of the object as an input to the neural network. This way, the network no longer needs to parametrize the far-field diffraction physics, dramatically improving the results. Deep k-learning is shown to be computationally efficient and robust to Poisson noise. The advantages provided by our method may enable the analysis of far larger datasets in photon starved conditions, with important applications to the study of dynamic phenomena in physical science and biological engineering.

Guo, Zhen (ORCID:0000000213473451)↗

Lead Slowing-Down Spectrometry Time Spectral Analysis for Spent Fuel Assay: FY12 Status Report

Executive Summary Developing a method for the accurate, direct, and independent assay of the fissile isotopes in bulk materials (such as used fuel) from next-generation domestic nuclear fuel cycles is a goal of the Office of Nuclear Energy, Fuel Cycle R&D, Material Protection and Control Technology (MPACT) Campaign. To meet this goal, MPACT supports a multi-institutional collaboration, of which PNNL is a part, to study the feasibility of Lead Slowing Down Spectroscopy (LSDS). This technique is an active nondestructive assay method that has the potential to provide independent, direct measurement of Pu and U isotopic masses in used fuel with an uncertainty considerably lower than the approximately 10% typical of today’s confirmatory methods. This document is a progress report for FY2012 PNNL analysis and algorithm development. Progress made by PNNL in FY2012 continues to indicate the promise of LSDS analysis and algorithms applied to used fuel assemblies. PNNL further refined the semi-empirical model developed in FY2011 based on singular value decomposition (SVD) to numerically account for the effects of self-shielding. The average uncertainty in the Pu mass across the NGSI-64 fuel assemblies was shown to be less than 3% using only six calibration assemblies with a 2% uncertainty in the isotopic masses. When calibrated against the six NGSI-64 fuel assemblies, the algorithm was able to determine the total Pu mass within <2% uncertainty for the 27 diversion cases also developed under NGSI. Two purely empirical algorithms were developed that do not require the use of Pu isotopic fission chambers. The semi-empirical and purely empirical algorithms were successfully tested using MCNPX simulations as well applied to experimental data measured by RPI using their LSDS. The algorithms were able to describe the 235U masses of the RPI measurements with an average uncertainty of 2.3%. Analyses were conducted that provided valuable insight with regard to design requirements (e.g. Pb stack size, neutron source location) of an LSDS for the purpose of assaying used fuel assemblies. Sensitivity studies were conducted that provide insight as to how the LSDS instrument can be improved by making it more sensitive to the center of the fuel assemblies. In FY2013, PNNL will continue efforts to develop and refine design requirements of an LSDS for the ultimate purpose of assaying used fuel assemblies. Future efforts will be directed toward more extensive experimental benchmarking of currently implemented time-spectra analysis algorithms.

Kulisek, Jonathan A.↗

Actinide Foil Production for MPACT Research

Sensitive fast-neutron detectors are required for use in lead slowing down spectrometry (LSDS), an active interrogation technique for used nuclear fuel assay for Materials Protection, Accounting, and Controls Technologies (MPACT). During the past several years UNLV sponsored a research project at RPI to investigate LSDS; began development of fission chamber detectors for use in LSDS experiments in collaboration with INL, LANL, and Oregon State U.; and participated in a LSDS experiment at LANL. In the LSDS technique, research has demonstrated that these fission chamber detectors must be sensitive to fission energy neutrons but insensitive to thermal-energy neutrons. Because most systems are highly sensitive to large thermal neutron populations due to the well-known large thermal cross section of 235U, even a miniscule amount of this isotope in a fission chamber will overwhelm the small population of higher-energy neutrons. Thus, fast-fission chamber detectors must be fabricated with highly depleted uranium (DU) or ultra-pure thorium (Th), which is about half as efficient as DU. Previous research conducted at RPI demonstrated that the required purity of DU for assay of used nuclear fuel using LSDS is less than 4 ppm 235U, material that until recently was not available in the U.S. In 2009 the PI purchased 3 grams of ultra-depleted uranium (uDU, 99.99998% 238U with just 0.2 ± 0.1 ppm 235U) from VNIIEF in Sarov, Russia. We received the material in the form of U3O8 powder in August of 2009, and verified its purity and depletion in a FY10 MPACT collaboration project. In addition, chemical processing for use in FC R&D was initiated, fission chamber detectors and a scanning alpha-particle spectrometer were developed, and foils were used in a preliminary LSDS experiment at a LANL/LANSCE in Sept. of 2010. The as-received U3O8 powder must be chemically processed to convert it to another chemical form while maintaining its purity, which then must be used to electro-deposit U or UO2 in extremely thin layers (1 to 2 mg/cm2) on various media such as films, foils, or discs. After many months of investigation and trials in FY10 and 11, UNLV researchers developed a new method to produce pure UO2 deposits on foils using a unique approach, which has never been demonstrated, that involves dissolution of U3O8 directly into room temperature ionic liquid (RTIL) followed by electrodeposition from the RTIL-uDU solution (Th deposition from RTIL had been previously demonstrated). The high-purity dissolution of the U3O8 permits the use of RTIL solutions for deposition of U on metal foils in layers without introducing contamination. In FY10 and early FY11 a natural U surrogate for the uDU was used to investigate this and other techniques. In this research project UNLV will deposit directly from RTIL to produce uDU and Th foils devoid of possible contaminants. After these layers have been deposited, they will be examined for purity and uniformity. UNLV will complete the development and demonstration of the RTIL technology/ methodology to prepare uDU and Th samples for use in constructing fast-neutron detectors. Although this material was purchased for use in research using fast-fission chamber detectors for active inspection techniques for MPACT, it could also contribute to R&D for other applications, such as cross section measurements or neutron spectroscopy for national security

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Alternative 3V0 Development for Ground Fault Overvoltage Protection with DERs/Renewables Interconnection (Final Report)

The ground fault overvoltage (GFOV) and the required traditional 3V0 installation has become a concerned issue for renewable/DER integration. Based on the alternative 3V0 methodology proposed by the PI and the feasibility study awarded by DOE SBIR/STIR project (Award No. DE-SC0018888), APS and RPI investigated development of a low-cost alternative 3V0 product based on the surge arrester current monitoring. The alternative 3V0 feasibility study completed by APS and RPI has verified that the alternative 3V0 is an effective solution (possibly the only one) under various circuit conditions and is competitive to traditional 3V0 methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Updates to the n+ 63,65 Cu Angular Distributions [Slides]

The performance of the benchmark suite is very sensitive to changes in the angular distribution data. The quasi-differential measurements performed by Blain et al at RPI provide a valuable constraint. Furthermore, ENDF/B-VIII.0 disagrees with their measurements consistently at 300 keV (the transition between RRR and high energy). The next step is to conservatively adjust the Legendre coefficients near 300 keV, validating performance against both critical benchmarks and the RPI quasi-differential measurements.

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↗