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DOE OSTI2017

Watts Bar Unit 2 Startup Results with VERA

CASL members TVA, Westinghouse, and Oak Ridge National Laboratory have successfully completed a detailed simulation of the initial startup of Watts Bar Nuclear Unit 2 (WBN2) using the advanced reactor simulation tools known as VERA. WBN2 is the first commercial power reactor to join the nation’s electrical grid in over two decades, and the modern core design and availability of data make it an excellent benchmark for CASL. Calculations were performed three months prior to the startup, and in the first blind application of VERA to a new reactor, predicted criticality and physics parameters very close to those later measured by TVA. Subsequent calculations with the latest version of VERA and using exact measurement conditions improved the results even further.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2016

High-Temperature Solar Selective Coating Development for Power Tower Receivers (Final Report)

Over the course of this project, solar selective coatings intended for next-generation power tower applications were researched and developed. The aim of these coatings was to combine high absorptance with relatively low thermal emittance in materials and designs that could perform without significant degradation at ≥700 °C and 600 suns irradiance in air. This would surpass the reported performance of the industry’s benchmark material, Pyromark® 2500. SunShot goals require that tower receiver coatings be stable in air, have high thermal conductivity, and be nonvolatile. We considered deposition methods that can be scaled-up to practical sizes and we made careful analyses of the costs associated with our coatings and the requirements that would make them effective. We have conducted durability testing of promising materials deposited on appropriate Ni-superalloy substrates in conventional thermal furnaces, solar simulators, and on-sun testing to understand the absorption efficiency of the coatings, degradation mechanisms and stability under realistic simulated environments.

14 SOLAR ENERGY↗

DOE OSTI2019

LANL ARM Benchmarking Efforts

This report gives an overview of LANL ARM benchmarking efforts, mini-app performance characteristics, ASC/IC app performance resutls, and ARM future technologies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

High-power ferro-electric fast reactive tuner

We present a novel design of a FerroElectric Fast Reactive Tuner (FE-FRT) capable of modulating Mega VAR reactive power on a sub-microsecond time scale. We show detailed analytical estimates of the performance of this device and benchmark these estimates against finite element method eigenmode and frequency domain electromagnetic simulations.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Femtosecond Reflectance Spectroscopy for Energetic Material Diagnostics

Understanding the fundamental mechanisms underpinning shock initiation is critical to predicting energetic material (EM) safety and performance. Currently, the timescales and pathways by which shock-excited lattice modes transfer energy into specific chemical bonds remains an open question. Towards understanding these mechanisms, our group has previously measured the vibrational energy transfer (VET) pathways in several energetic thin films using broadband, femtosecond transient absorption spectroscopy. However, new technologies are needed to move beyond these thin film surrogates and measure broadband VET pathways in realistic EM morphologies. Herein, we describe a new broadband, femtosecond, attenuated total reflectance spectroscopy apparatus. Performance of the system is benchmarked against published data and the first VET results from a pressed EM pellet are presented. This technology enables fundamental studies of VET dynamics across sample configurations and environments (pressure, temperature, etc .) and supports the potential use of VET studies in the non-destructive surveillance of EM components.

42 ENGINEERING↗

DOE OSTI2021

Detection of Anomalies in Environmental Gamma Radiation Background with Hopfield Artificial Neural Network - Consortium on Nuclear Security Technologies (CONNECT) Q3 Report

Environmental screening of gamma radiation consists of detecting weak nuisance and anomaly signal in the presence of strong and highly varying background. In a typical scenario, a mobile detector-spectrometer continuously measures gamma radiation spectra in short, e.g., one-second, signal acquisition intervals. The measurement data is a 2D matrix, where one dimension is gamma ray energy, and the other dimension is the number of measurements or total time. In principle, gamma radiation sources can be detected and identified from the measured data by their unique spectral lines. Detecting sources from data measured in a search scenario is difficult due to the highly varying background because of naturally occurring radioactive material (NORM), and low signal-to-noise ratio (S/N) of spectral signal measured during one-second acquisition intervals. The objective of this work is to investigate performance of a Hopfield Neural Network (HNN) in in detection and identification of weak nuisances and anomalies events in the presence of a highly fluctuating background. Performance of HNN algorithm is benchmarked using search data from an environmental screening campaign. One data set contained a 137 Cs source, and another dataset contained a 131 I source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Anomaly Detection in Gamma Spectra Using Hopfield Neural Network with B-SAT and Grover’s Algorithm on a Quantum Computing Simulator

Environmental screening of gamma radiation consists of detecting weak nuisance and anomaly signal in the presence of strong and highly varying background. In a typical scenario, a mobile detector-spectrometer continuously measures gamma radiation spectra in short, e.g., one-second, signal acquisition intervals. In principle, gamma radiation sources can be detected and identified by their unique spectral lines. However, detecting sources from data measured in a search scenario is difficult due to the highly varying background because of naturally occurring radioactive material (NORM), and low signal-to-noise ratio (S/N) of spectral signal measured during one-second acquisition intervals. In recent prior work, we have developed a Hopfield Neural Network (HNN) in conjunction with an image processing algorithm to detect a weak signal anomaly hidden among the highly fluctuating background spectra. The objective of this work is to explore quantum computing methods to increase the speed of HNN. The approach is based on the Grover’s search algorithm in conjunction with a 3-SAT problem formalism. The Grover’s algorithm is implemented on a quantum computing simulator using Qiskit software. Performance of HNN algorithm is benchmarked using search data from an environmental screening campaign, where the anomaly is a subset of measurements containing a 137 Cs source. Results indicate that using Grover’s algorithm on a quantum simulator reduces runtime of HNN by two orders of magnitude.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2022

Scalable Gaussian Processes, GPyTorch Application Benchmarking, and Targeted Adaptive Design (TAD) on ThetaGPU

We aim at showcasing the scalability of Gaussian Process (GP). The naive GP implementation scales cubically with data size, which can be prohibitive, so GP has not heretofore been considered suitable for very large-scale problem settings. We take advantage of GPyTorch, a library for scalable GPs built on top of PyTorch that incorporates GPU acceleration. With GPyTorch, one can achieve nearly linear scaling with structured kernel interpolation (SKI) and constant-time predictive covariances computation with LanczOs Variance Estimates (LOVE) while preserving accuracy. We also take advantage of the computational power of ThetaGPU, a supercomputer of Argonne Leadership Computing Facility (ALCF). In addition, we implement a scalable, GPU-ready version of Targeted Adaptive Design (TAD), a GP-based data-driven algorithm that efficiently searches the control space of an advanced manufacturing experiment for settings capable of producing a required design within a specified tolerance, despite the poorly known mapping from control settings to design. We finally show our benchmarking for GPyTorch and TAD performance on CPU vs. ThetaGPU and discuss the results and implications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Multiphysics Simulations of MSRE with NEAMS Thermal Hydraulics Tools

This report documents the benchmarks being developed and simulations performed using tools and codes developed under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, utilizing MSRE experimental data. In FY23, three main work scopes were investigated under the NEAMS MSR work package at ANL. The first scope investigated the Griffin-SAM coupling model for simulating the pump startup transient experiment of MSRE. The analyses start with a simple model (single-channel, single-lattice), gradually adding more details (multi-channel, full-core) into the model. The results show that the reactivity loss curve is very sensitive to the axial boundary conditions and the radial core discretization. The simple model can predict a similar reactivity trend as that of the more sophisticated model, which is likely due to error cancellation. Accurately modeling the axial boundary condition may further improve the reactivity trend but would require significant efforts to generate the mesh of the MSRE inlet and upper plenum. The core channel radial discretization for the Griffin-SAM coupled model also depends on the flow distribution. Given the complex geometry in the inlet plenum, the flow distribution needed to be calculated from CFD analysis, which was performed using the NekRS code. This analysis employed a MSRE CAD model developed by Copenhagen Atomics. The CAD model was disassembled to keep the inlet plenum region only, which was subsequently cleaned and modified so that the mesh generated is under the memory limit. The results are merged to a few radial regions to show that the flow rate is highest in the central region. This would be useful for future improvement of the Griffin-SAM coupling model of the MSRE core. The last task investigated is tritium transport modeling using the standalone SAM code. This task aimed to initiate the effort to demonstrate and validate the tritium transport model implemented in SAM. The preliminary investigation employed an MSRE model consisting of the primary loop. Three tritium transport pathways were examined including the retention in the graphite, the permeation through the HX tube wall, and the removal from the off-gas system. The results compare well with the MSRE data, but improvements are still needed on the initial conditions (i.e., the present state may not have reached equilibrium), the boundary conditions, the off-gas system modeling, and a better numerical strategy to reach the equilibrium state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Assessment of the ParFlow–CLM CONUS 1.0 integrated hydrologic model: evaluation of hyper-resolution water balance components across the contiguous United States

Abstract. Recent advancements in computational efficiency and Earth system modeling have awarded hydrologists with increasingly high-resolution models of terrestrial hydrology, which are paramount to understanding and predicting complex fluxes of moisture and energy. Continental-scale hydrologic simulations are, in particular, of interest to the hydrologic community for numerous societal, scientific, and operational benefits. The coupled hydrology–land surface model ParFlow–CLM configured over the continental United States (PFCONUS) has been employed in previous literature to study scale-dependent connections between water table depth, topography, recharge, and evapotranspiration, as well as to explore impacts of anthropogenic aquifer depletion to the water and energy balance. These studies have allowed for an unprecedented process-based understanding of the continental water cycle at high resolution. Here, we provide the most comprehensive evaluation of PFCONUS version 1.0 (PFCONUSv1) performance to date by comparing numerous modeled water balance components with thousands of in situ observations and several remote sensing products and using a range of statistical performance metrics for evaluation. PFCONUSv1 comparisons with these datasets are a promising indicator of model fidelity and ability to reproduce the continental-scale water balance at high resolution. Areas for improvement are identified, such as a positive streamflow bias at gauges in the eastern Great Plains, a shallow water table bias over many areas of the model domain, and low bias in seasonal total water storage amplitude, especially for the Ohio, Missouri, and Arkansas River basins. We discuss several potential sources for model bias and suggest that minimizing error in topographic processing and meteorological forcing would considerably improve model performance. Results here provide a benchmark and guidance for further PFCONUS model development, and they highlight the importance of concurrently evaluating all hydrologic components and fluxes to provide a multivariate, holistic validation of the complete modeled water balance.

O'Neill, Mary M. F. (ORCID:0000000221455165)↗

DOE OSTI2016

Validation for 233U-Fueled Systems in KENO V.a in SCALE 6.2

Validation of the KENO V.a Monte Carlo code has been performed in recent years using benchmark experiments contained in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook. The models used in these recent validation efforts have been drawn from the Verified, Archived Library of Inputs and Data (VALID). Models must be generated and reviewed by qualified individuals to be added to the VALID library, which leads to high confidence in the models and reduces the probability that apparent validation issues are a result of modeling errors. The contents of the VALID library are somewhat limited because of the effort involved in generating and reviewing models, so no 233U-fueled experiments are included in VALID. A large number of models of 233U experiments have been modeled in the past in support of the criticality safety of 233U in storage at Oak Ridge National Laboratory (ORNL). In June 2016, two midshipmen from the United States Naval Academy were assigned to ORNL, and they reviewed and updated these models for execution in SCALE 6.2. The validation of 233U is of interest because some discrepancies in SCALE results were identified by a beta tester at the Nuclear Energy Agency modeling these systems. These discrepancies were related to a data thinning procedure in the continuous-energy nuclear data process, and had been resolved prior to the release of SCALE 6.2

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Particle In Cell Scalable Application Resource (PICSAR) v2

PICSAR, for Particle-In-Cell Scalable Application Resource, is a high-performance Particle-in-Cell library developed in Fortran 90 and Python. This library was first developed to be coupled with WARP and provide efficient subroutines optimized for Many-Integrated Core (MIC) architectures such as the forthcoming system Cori Phase II that will be equipped with Intel Xeon Phi KNL processors. It is a compact self-contained proxy that adequately portrays the computational loads and dataflow of the more complex WARP code but can also be used by other PIC codes. PICSAR also contains a Fortran stand-alone Particle-In-Cell "mini-app" that includes the key functionalities of a PIC code. This stand-alone code is used for testing implementation performances and to do some benchmarks.

VINCENTI, HENRI↗

DOE OSTI2019

Summary: Verification of the ENDF/B-VII.1 and VIII.0 AMPX 1597-group Libraries for Advanced Reactor Analysis

The SCALE/AMPX multigroup (MG) cross section processing procedure has been updated to minimize reactivity differences for various advanced thermal and fast reactor designs, as observed for the current MG libraries, resulting in excellent agreement between the calculations with the new MG libraries and the continuous-energy reference calculations. The SCALE MG calculations are widely applied to thermal spectrum light-water reactor systems, as well as fast spectrum metallic systems. Due to growing interest from industry and regulators in applying SCALE for the design of fast spectrum reactors—both sodium and molten salt—it was desirable to review and improve the SCALE/AMPX procedure for unresolved resonance self-shielded data and high-energy neutron spectra. The data were improved by generating MG unresolved resonance data based on the analytic probability table method with the narrow resonance approximation and by using very fine and intermediate group structures that are typical for fast system analysis. This study focused on verifying the improved SCALE/AMPX MG cross section processing procedure and the new AMPX 1597-group library with the ENDF/B-VII.1 and VIII.0 evaluated nuclear data. The verification was made by performing reaction rate analysis and benchmark calculations for various thermal and fast reactor systems. Results indicate that the improved SCALE/AMPX MG cross section processing and libraries provide excellent results for advanced reactor analysis.

Kim, Kang Seog↗

DOE OSTI2019

Verification of the ENDF/B-VII.1 and VIII.0 AMPX 1597-Group Libraries for Advanced Reactor Analysis

Kim, Kang Seog↗

DOE OSTI2022

SPEChpc 2021 Benchmark Suites for Modern HPC Systems

The SPEChpc 2021 suites are application-based benchmarks de- signed to measure performance of modern HPC systems. The bench- marks support MPI, MPI+OpenMP, MPI+OpenMP target offload, MPI+OpenACC and are portable across all major HPC platforms.

Boehm, Swen↗

DOE OSTI2022

239 Pu R -matrix Analysis and Neutron Multiplicities in the Neutron Energy Region up to a few keVs [Abstract]

The evaluation of 239 Pu neutron resonance parameters coupled to neutron multiplicities $\overline{v}_p$ is of particular importance to investigate the ($\mathcal{n, γf}$) reaction in which a $\mathcal{γ}$-ray emission occurs before the scission of the compound nuclear. This reaction has offered one explanation for the fluctuations in the measured values of $\overline{v}_p$ In this regard, the competition between ($\mathcal{n, γf}$) reaction and the direct fission process can be also included in the R matrix analysis of fission and capture measured data. The goal of this work is the coupled evaluation of the $\mathcal{n}$+ 239 Pu resonance parameters and related neutron multiplicities by ensuring the adoption of thermal neutron constants recently evaluated at the International Atomic Nuclear Energy as well as the recommended (thermal-neutron) induced prompt neutron fission spectrum (PFNS). Moreover, this new set of physical evaluated quantities should also guarantee the agreement for high-leakage solution benchmarks while keeping the good performance of large thermal solution assemblies.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2016

Validation for {sup 233}U-Fueled Systems in KENO V.a in SCALE 6.2

Validation of the KENO V.a Monte Carlo code has been performed in recent years using benchmark experiments contained in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook. The models used in these recent validation efforts have been drawn from the Verified, Archived Library of Inputs and Data (VALID). Models must be generated and reviewed by qualified individuals to be added to the VALID library, which leads to high confidence in the models and reduces the probability that apparent validation issues are a result of modeling errors. The contents of the VALID library are somewhat limited because of the effort involved in generating and reviewing models, so no {sup 233}U-fueled experiments are included in VALID. A large number of models of {sup 233}U experiments have been modeled in the past in support of the criticality safety of {sup 233}U in storage at Oak Ridge National Laboratory (ORNL). In June, 2016, two midshipmen from the United States Naval Academy were assigned to ORNL, and they reviewed and updated these models for execution in SCALE 6.2. The validation of {sup 233}U is of interest because some discrepancies in SCALE results were identified by a beta tester at the Nuclear Energy Agency modeling these systems. These discrepancies were related to a data thinning procedure in the continuous-energy nuclear data process, and had been resolved prior to the release of SCALE 6.2. (authors)

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2022

Performance enhancement of planar MOC calculation in hexagonal geometries by assembly-wise domain decomposition

The parallelization of planar Method of Characteristics (MOC) calculation with the higher order scattering in the hexagonal version of the nTRACER direct whole core calculation code is enhanced by adopting assembly-wise domain decomposition and other techniques. In order to augment the hexagonal domain decomposition, the three-color scheme, the angular decomposition, and the angular flux storage scheme are examined. The parallel performance assessed for the VVER benchmark problems demonstrates that the hexagonal assembly-wise domain decomposition significantly reduces the computing time in ray tracing by up to 64 %. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗