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Comparison Study of Upper Subcritical Limits Derived Using Sensitivity/Uncertainty Tools Case Studies of Benchmarks and Applications

Neutron transport methods used to establish subcriticality require validation by comparison to critical experiments considered to be benchmarks. Whisper is a sensitivity/uncertainty analysis tool developed to assist with the task of validation in nuclear criticality safety. Details on the Whisper methodology can be found in References 1-3 on the MCNP ® reference collection website at https://mcnp.lanl.gov. Whisper-1.0 was originally developed in 2014 and used to assist with nuclear criticality safety validation at Los Alamos National Laboratory. Whisper was upgraded in 2016 to Whisper-1.1 and prepared for release with MCNP6.2. Whisper contains a library of over 1100 critical experiment benchmarks and quantifies neutronic similarity of an application to benchmarks in the library. Using highest similarity benchmarks, Whisper computes a calculational margin (CM) encompassing of the worst-case bias and bias uncertainty at a 99% confidence level for each application. In addition, portions of the margin of subcriticality (MOS) for nuclear data uncertainty and potential code errors are computed. The baseline upper subcritical limit (USL) computed by Whisper is comprised of the CM, MOS nuclear data , and MOS code errors . The Whisper baseline USL is absent a portion of the MOS due to the area of application, which is applied based upon judgment by the criticality safety analyst. An objective of this paper is to present the baseline USL, CM and portions of the MOS as computed by Whisper for comparison with similar sensitivity/uncertainty tools, such as those used by IRSN and ORNL. The initial comparison involves four critical experiment benchmarks: HEU-MET-FAST-013-001, HEU-SOLTHERM-001-008, PU-MET-FAST-022-001, AND PU-SOL-THERM-001-001, which have been: 1. modeled independently by LANL, IRSN, and ORNL based upon information provided in the ICSBEP Handbook, 2. are common in S/U libraries for LANL, IRSN, and ORNL, 3. span a range of energy spectrum and fissile material, and 4. taken as applications for the purposes of this study and therefore excluded from use as a benchmark for calculating the upper subcritical limit. Results presented in this paper have been computed using covariance data for all isotopes in ENDF/BVII.0 using a 44-group energy structure. Benchmarks in the Whisper library were run in MCNP6.2 using 100,000 neutrons per cycle, skipping 100 cycles for 500 active cycles. Reference 10 also compares the results for baseline USL with an order of magnitude greater neutrons, using the same total number of cycles with 1,000,000 neutrons per cycle. Subsequent to the results presented in Reference 10 changes were made to the benchmark library, as discussed in Reference 11. Newer results using the revised benchmark library are presented herein.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Comparison Study of Upper Subcritical Limits Derived Using Sensitivity/Uncertainty Tools: Case Studies of U233-SOL-THERM-001-001, MIX-COMP-THERM-001-001, IEU-MET-FAST-002-001, LEU-COMP-THERM-001-001, LEU-SOL-THERM-004-001

Neutron transport methods used to establish subcriticality require validation by comparison to critical experiments considered to be benchmarks. Whisper is a sensitivity/uncertainty analysis tool developed to assist with the task of validation in nuclear criticality safety. Details on the Whisper methodology can be found in References 1-3 on the MCNP® reference collection website at https://mcnp.lanl.gov. Whisper-1.0 was originally developed in 2014 and used to assist with nuclear criticality safety validation at Los Alamos National Laboratory. Whisper was upgraded in 2016 to Whisper-1.1 and prepared for release with MCNP6.2 [References 3-5]. Whisper contains a library of over 1100 critical experiment benchmarks and quantifies neutronic similarity of an application to benchmarks in the library. Using highest similarity benchmarks, Whisper computes a calculational margin (CM) encompassing of the worst-case bias and bias uncertainty at a 99% confidence level for each application. In addition, portions of the margin of subcriticality (MOS) for nuclear data uncertainty and potential code errors are computed. The baseline upper subcritical limit (USL) computed by Whisper is comprised of the CM, MOS nuclear data , and MOS code errors . The Whisper baseline USL is absent a portion of the MOS due to the area of application, which is applied based upon judgment by the criticality safety analyst. An objective of this paper is to present the baseline USL, CM and portions of the MOS as computed by Whisper for comparison with similar sensitivity/uncertainty tools, such as those used by IRSN and ORNL. An initial comparison involved four critical experiment benchmarks: HEU-MET-FAST-013-001, HEU-SOLTHERM-001-008, PU-MET-FAST-022-001, AND PU-SOL-THERM-001-001, which have been documented in References 10-13. This study extends the comparison to include cases U233-SOL-THERM-001-001, MIX-COMP-THERM-001-001, IEU-MET-FAST-002-001, LEU-COMP-THERM-001-001, LEU-SOL-THERM- 004-001.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Phase 1: Duke Energy Zero Emission Resource Integration Study (ZERIS); Phase 2: Carbon-Free Resource Integration Study for Duke Energy (Final Report)

Phase 1: This statement of work makes up Phase 1 of a larger effort. During this Phase 1 effort, NREL will work with Duke Energy to analyze the impacts of integrating significant amounts of new solar power into the Duke Energy power system under a variety of different penetrations scenarios, with a maximum of ten (10) full scenarios examined. The existing fleet, particularly the nuclear generation, will be considered in the quantitative assessments and discussions. Duke Energy is looking to quantify how much solar generation its system can handle. NREL will work with Duke Energy to quantify solar potential, identify likely integration challenges and possible opportunities for wind, storage, demand side resources and other technologies. Phase 2: This Statement of Work consists of a follow-up effort (Phase 2) to a recently completed Phase 1 modeling effort. During Phase 2, NREL will work closely with Duke Energy to analyze the impacts of integrating significant amounts of variable generation resources (wind and solar) and storage into Duke Energy's system in the Carolinas. The existing fleet, particularly nuclear generation, will be considered in the quantitative assessment and discussions. This Statement of Work also includes an extension to Phase II of the Carbon-Free Resource Integration Study for Duke Energy. In this extension, NREL will work closely with Duke Energy to extend the production cost analysis developed in Phase II to 2018 weather and load data for Duke Energy's territory. This extension leverages the modeling tools and datasets developed as part of Phase II. The analysis will compare results from Phase II (using 2012 weather and load) with 2018 results to assess system operations with increased penetration of renewables and storage. Simplifying assumptions will be made for modeling Duke Energy's neighbors in the production cost model.

14 SOLAR ENERGY↗

Case Study: Seattle Waterfront Networked Microgrid Evaluation - Case Study for Port Electrification Handbook

Many ports and waterfronts are evaluating alternative electrification efforts, including electrification of passenger and vehicle ferries. In Seattle, the Washington State Department of Transportation, in conjunction with Seattle City Light (the local utility) and the Port of Seattle, are working to deploy a hybrid electric ferry and provide charging at Seattle’s Colman dock. As part of this ferry electrification effort, Seattle City Light is considering including a large battery energy storage system (BESS) to help “buffer” the ferry charging. The “buffer” provides energy arbitrage and spreads out the large amount of power needed to recharge the ferry to times when the ferry is out of the dock – rather than one very large peak for 15 minutes, the battery storage allows it to be a smaller power value over a longer duration. This initial BESS concept served as the jumping off point to explore an expanded microgrid concept via a notional test system that incorporates additional distributed energy resources (DER) and infrastructure upgrades to the local distribution infrastructure at the Seattle Waterfront and neighboring Port of Seattle properties. This case study examined the potential for secondary use of the BESS within a networked microgrid during the scenario of a large-scale power outage, such as a natural disaster.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Dataset_for_Molecular_Motion_Below_the_Glass_Transition_A_Solid-State_NMR_Study_of_Siloxane_Polymer_Dynamics Study

This dataset contains solid-state 1H and 13C NMR relaxometry data, differential scanning calorimetry (DSC) data, and size exclusion chromatography (SEC/GPC) data supporting the study of sub-glass-transition (sub-Tg) molecular dynamics in a composition- and sequence-controlled series of diphenyl-substituted polysiloxanes (PDMS, 14Ph, 33Ph, 50Ph, 67Ph, and 100Ph; 0–100% diphenylsiloxane content by mole).All solid-state NMR data were acquired on a 200 MHz Bruker Avance III HD spectrometer using a static 7 mm HX probe or a 4 mm HX probe under 4 kHz magic-angle spinning. Raw Bruker TopSpin experiment folders are included for: (1) variable-temperature 1H lineshape measurements used to determine linewidth (FWHM) as a function of temperature across the glass transition; (2) 1H T1 (saturation recovery with solid-echo detection), probing nanosecond-scale dynamics near the 1H Larmor frequency; (3) 1H T1rho (direct spin-lock, 62.5 kHz), probing microsecond-scale segmental dynamics; (4) 13C-detected Lee–Goldburg cross-polarization 1H T1rho (LGCPH T1rho) for 33Ph and 50Ph, resolving aromatic and aliphatic proton environments; and (5) 13C T1 relaxation for 33Ph and 50Ph. Differential scanning calorimetry data (TA Instruments DSC 25, −150 to +120 °C, up to +300 °C for 100Ph, 10 °C/min) are included for all six compositions and support the glass-transition temperatures in Table 1 and Figure 1. Size exclusion chromatography data (Agilent 1200 Series, PL-Gel 300 mixed-C column, THF mobile phase, polystyrene calibration standards) are included for the three synthesized copolymers (33Ph, 50Ph, 67Ph) and support the number-average molecular weights in Table 1. Processed data include per-composition relaxation-time summaries (Excel), curve-fitting and Bloembergen-Purcell-Pound (BPP) model analysis notebooks (Jupyter/Python), and Igor Pro (.pxp) master files used to generate the manuscript's figures.

Bloembergen-Purcell-Pound theory↗

DESIGN OF LABORATORY EXPERIMENTS TO STUDY PHOTOIONIZATION FRONTS DRIVEN BY THERMAL SOURCES

This paper analyzes the requirements of a photoionization-front experiment that could be driven in the laboratory, using thermal sources to produce the necessary flux of ionizing photons. It reports several associated conclusions. Such experiments will need to employ the largest available facilities, capable of delivering many kJ to MJ of energy to an X-ray source. They will use this source to irradiate a volume of neutral gas, likely of N, on a scale of a few mm to a few cm, increasing with source energy. For a gas pressure of several to ten atmospheres at room temperature, and a source temperature near 100 eV, one will be able to drive a photoionization front through a system of tens to hundreds of photon mean free paths. The front should make the familiar transition from the so-called R-Type to D-Type as the radiation flux diminishes with distance. The N is likely to reach the He-like state. Preheating from the energetic photons appears unlikely to become large enough to alter the essential dynamics of the front beyond some layer near the surface. For well-chosen experimental conditions, competing energy transport mechanisms are small.

79 ASTRONOMY AND ASTROPHYSICS↗

Study of Simulation Cell Size in Mean-Field Studies of Interacting Lattice Models

A lattice model of interacting fermions is studied with the principal aim of assessing the dependence of calculated mean-field ground states versus the N×N lattice size, with N=16, 32, and 48. A two band model on the two-dimensional square lattice is simulated, with on-site energies and interaction parameters chosen to represent crystal field split orbitals in the moderately correlated regime. Nearest neighbor hopping leads to the well known van Hove singularities (vHs) of the square lattice. Anomalies in the inverse participation ratio of the eigenstates are found to be associated with the vHs, with their prevalence decreasing inversely with N. For the chosen model, inhomogeneous spin densities are always obtained for the small lattice size N=16, with the degree of variation decreasing rapidly for most polarizations as N is increased. Various spin polarizations are treated, and one case in which spin density inhomogeneity persists for the largest lattice size is discussed and analyzed. Coupling of spin density inhomogeneities to charge density variation is minor but evident, and is primarily of intra-orbital origin.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗