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Sierra/SolidMechanics 4.56 Example Problems Manual

Presented in this document are tests that exist in the Sierra/SolidMechanics example problem suite, which is a subset of the Sierra/SM regression and performance test suite. These examples showcase common and advanced code capabilities. A wide variety of other regression and verification tests exist in the Sierra/SM test suite that are not included in this manual.

97 MATHEMATICS AND COMPUTING↗

Aeroacoustics Noise Model of OpenFAST

The report describes theory and application of a newly released module of OpenFAST to simulate the aeroacoustic noise generated by the rotor of an arbitrary wind turbine. OpenFAST is a fully open-source publicly available wind turbine analysis tool actively developed at the National Renewable Energy Laboratory. The aeroacoustic module, which is also fully open-source and publicly available, is based on work performed over the past three decades. Frequency-based models for turbulent inflow, turbulent boundary layer – trailing edge, laminar boundary layer – vortex shedding, tip vortex, and trailing edge bluntness – vortex shedding noise mechanisms are included. A simple directivity model is also included. The appendices of this report describe in detail the inputs to the module and how to find them in the input files of OpenFAST. The noise models are exercised simulating the aeroacoustic noise emissions of the IEA Wind Task 37 land-based reference wind turbine. A code-to-code comparison between the implementation presented here and the implementation available at the Wind Energy Institute of the Technical University of Munich, Germany, is also presented.

17 WIND ENERGY↗

Sierra/SolidMechanics 4.58 Example Problems Manual

Presented in this document are tests that exist in the Sierra/SolidMechanics example problem suite, which is a subset of the Sierra/SM regression and performance test suite. These examples showcase common and advanced code capabilities. A wide variety of other regression and verification tests exist in the Sierra/SM test suite that are not included in this manual.

97 MATHEMATICS AND COMPUTING↗

FY20 SAM Code Developments and Validations for Transient Safety Analysis of Advanced non-LWRs

The System Analysis Module (SAM) is under development at Argonne National Laboratory as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. It utilizes the object-oriented application framework MOOSE to leverage the modern software environment and advanced numerical methods. The capabilities of SAM are being extended to enable the transient modeling, analysis, and design of various advanced nuclear reactor systems. This report summarizes major progress in SAM code development, capability enhancements, demonstration, and validation to support transient safety analysis of advanced non-LWRs. Rapid developments continued in fiscal year 2020 (FY20) to support various needs of the advanced reactor community, especially the NRC and industry on the licensing safety analysis of advanced reactor designs. Significant code changes were made to provide various capability enhancements, bug fixes, and user friendliness improvements. Major code updates are summarized in Section 1, while four important enhancements are detailed in Sections 2-5, including a multi-dimension flow model; reactivity feedback and decay heat models; control and trip system modeling, and additional fluid and solid thermophysical property models. Code validation activities in FY20 include using test data from the Fast Flux Test Facility (FFTF), the High Temperature Test Facility (HTTF), and several separate effects test facilities for pebble-bed modeling.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Sierra/SolidMechanics 5.6 User's Manual

Sierra/SolidMechanics (Sierra/SM) is a three-dimensional solid mechanics code with a versatile element library, nonlinear material models, large deformation capabilities, and contact. It is built on the SIERRA Framework. SIERRA provides a data management framework in a parallel computing environment that allows the addition of capabilities in a modular fashion. Contact capabilities are parallel and scalable. This document provides information about the functionality in Sierra/SM and the command structure required to access this functionality in a user input file. This document is divided into chapters based primarily on functionality. For example, the command structure related to the use of various element types is grouped in one chapter; descriptions of material models are grouped in another chapter. Sierra/SM provides both explicit transient dynamics and implicit quasistatics and dynamics capabilities. Both the explicit and implicit modules are highly scalable in a parallel computing environment. In the past, the explicit and implicit capabilities were provided by two separate codes, known as Presto and Adagio, respectively. These capabilities have been consolidated into a single code. The executable is named Adagio, but it provides the full suite of solid mechanics capabilities, for both implicit and explicit. The Presto executable has been disabled as a consequence of this consolidation.

97 MATHEMATICS AND COMPUTING↗

Implementation of a Mesh refinement algorithm into the quasi-static PIC code QuickPIC

Plasma-based acceleration (PBA) has emerged as a promising candidate for the accelerator technology used to build a future linear collider and/or an advanced light source. In PBA, a trailing or witness particle beam is accelerated in the plasma wave wakefield (WF) created by a laser or particle beam driver. The WF is often nonlinear and involves the crossing of plasma particle trajectories in real space and thus particle-in-cell methods are used. The distance over which the drive beam evolves is several orders of magnitude larger than the wake wavelength. This large disparity in length scales is amenable to the quasi-static approach. Three-dimensional (3D), quasi-static (QS), particle-in-cell (PIC) codes, e.g., QuickPIC, have been shown to provide high fidelity simulation capability with 2-4 orders of magnitude speedup over 3D fully explicit PIC codes. In PBA, the witness beam needs to be matched to the focusing forces of the WF to reduce the emittance growth. In some linear collider designs, the matched spot size of the witness beam can be 2 to 3 orders of magnitude smaller than the spot size (and wavelength) of the wakefield. Such an additional disparity in length scales is ideal for mesh refinement where the WF within the witness beam is described on a finer mesh than the rest of the WF. A mesh refinement scheme is described that has been implemented into the 3D QS PIC code, QuickPIC. Very fine (high) resolution is used in a small spatial region that includes the witness beam and progressively coarser resolutions in the rest of the simulation domain. A fast multigrid Poisson solver has been implemented for the field solve on the refined meshes and a Fast Fourier Transform (FFT) based Poisson solver is used for the coarse mesh. The code has been parallelized with both MPI and OpenMP, and the parallel scalability has also been improved by using pipelining. A preliminary adaptive mesh refinement technique is described to optimize the computational time for simulations with an evolving witness beam size. Several test problems are used to verify that the mesh refinement algorithm provides accurate results. Additionally, the results are benchmarked against highly resolved simulations exhibiting near-azimuthal symmetry, performed using QPAD—a novel hybrid QS PIC code that uses a PIC description in the coordinates (r, ct – z) and a gridless description in the azimuthal angle, Φ.

Linear collider↗

Laser transport and backscatter in low-density SiO 2 and Ta2O 5 foams

Experiments using a single 527 nm wavelength beam interacting with sub- and supercritical density SiO 2 and Ta 2 O 5 foams examined laser propagation and backscatter from laser–plasma instabilities such as Stimulated Brillouin Scattering (SBS). Two densities of each material were examined, and multiple diagnostics were used to characterize the propagation and backscatter. For 5 mg/cc SiO 2 (n e /n c = 0.375), the laser propagation distance was well approximated by treating the foam as a gas. However, for the 2 mg/cc SiO 2 foam (n e /n c = 0.15), the same model over-predicts the propagation distance by ~40%. Furthermore, existing analytical theories on propagation through subcritical foams were able to account for this difference. The laser heat wave propagated ~1/2 as far in Ta 2 O 5 than SiO 2 foams with similar electron density. We showed that this difference is due to the increased radiation losses in the higher Z foam. The fraction of backscattered light scales linearly with incident laser intensity for the range of intensities examined. Ta 2 O 5 foams had significantly lower levels of backscatter (1–3%) than the SiO 2 (4–8%), which is consistent with estimates of large Landau damping due to the presence of the oxygen atoms. The measured fraction of SBS backscattered laser energy for a 2 mg/cc SiO 2 foam shot was ~4 times lower than predicted by simulations assuming a gas-like foam. We found that we needed to assume increased ion heating such that T i /T e ~1.2–1.5 in the plasma to agree with the measured SBS reflectivity. Analytical models of laser-heated foams predict preferential heating of the ions as has been observed in previous experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Observation of subcritical shocks in a collisional laboratory plasma: scale dependence near the resistive length

We present a study of subcritical shocks in a highly collisional laboratory plasma with a dynamically significant magnetic field. Shocks were produced by placing cylindrical obstacles into the supermagnetosonic ( $M_{{\rm MS}} \sim 1.9$ ) outflow from an inverse wire array z-pinch at the MAGPIE pulsed power facility ( $n_{e} \sim 8.5 \times 10^{17}\,{\rm cm}^{-3}$ , $v \sim 45\,{\rm km}\,{\rm s}^{-1}$ ). We demonstrate the existence of subcritical shocks in this regime and find that secondary stagnation shocks form in the downstream which we infer from interferometry and optical Thomson scattering measurements are hydrodynamic in nature. The subcritical shock width is found to be approximately equal to the resistive diffusion length and we demonstrate the absence of a jump in hydrodynamic parameters. Temperature measurements by collective optical Thomson scattering showed little temperature change across the subcritical shock ( ${<}10\,\%$ of the ion kinetic energy) which is consistent with a balance between adiabatic and Ohmic heating and radiative cooling. We demonstrate the absence of subcritical shocks when the obstacle diameter is less than the resistive diffusion length due to decoupling of the magnetic field from the plasma. These findings are supported by magnetohydrodynamic simulations using the Gorgon and AstroBEAR codes and discrepancies between the simulations and experiment are discussed.

Physics↗

U.S. Effort Support to Examinations at Fukushima - Meeting Notes with Updated Information Requests (FY2020)

Much is still not known about the end-state of core materials in each unit that was operating on March 11, 2011 at the Fukushima Daiichi Nuclear Power Station (Daiichi). Information obtained from Daiichi is required to inform Decontamination and Decommissioning (D&D) activities, improving the ability of the Tokyo Electric Power Company Holdings, Incorporated (TEPCO Holdings) to characterize potential hazards and to ensure the safety of workers involved with cleanup activities. This document, which has been updated to include Fiscal Year 2020 (FY2020) information, summarizes results from a U.S. effort to review Daiichi information and extract insights to enhance the safety of existing and future nuclear power plant designs. This U.S. effort, which was initiated in 2014 by the Department of Energy Office of Nuclear Energy (DOE-NE), is completed by a group of experts in reactor safety and plant operations that identify examination needs and evaluate recent Daiichi examination data to address these needs. Since its inception, comprehensive annual reports were issued that document significant safety insights being obtained in areas of special emphasis: system and component performance, radionuclide surveys and sampling, debris end-state location, combustible gas effects, and plant operations and maintenance. In addition to reducing uncertainties related to severe accident modeling progression, these insights have and continue to be used to update guidance for severe accident prevention, mitigation, and emergency planning. Reduced uncertainties in modeling the events at Daiichi improve the realism of reactor safety evaluations that inform future D&D activities. For FY2020, it was decided that the program would gain more benefit from a more concise report that emphasizes new information and insights that affect prior findings and recommendations from the U.S. experts participating in this effort. A key aspect of prior U.S. efforts, the updated list of information requests, is included in this letter report to ensure that they are transmitted to organizations within Japan. In addition, findings and associated recommendations are provided regarding information presented by TEPCO Holdings, Nuclear Damage Compensation and Decommissioning Facilitation Corporation (NDF), and the Japan Atomic Energy Agency (JAEA). This letter report also continues to emphasize how information obtained from the affected reactors at Daiichi has been and will continue to be used to update severe accident management strategies, improve maintenance activities (especially in areas of radiation protection) and reduce uncertainties in systems analysis code models. In addition, recommendations are included that would expand the use of this information to provide insights regarding maintenance, radiation protection, design, and siting activities of existing and new reactors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NEAMS Workbench Status and Capabilities

The mission of the US Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program is to develop, apply, deploy, and support state-of-the-art predictive modeling and simulation tools for the design and analysis of current and future nuclear energy systems. This is accomplished by using computing architectures that range from laptops to leadership-class facilities. The NEAMS Workbench is a new initiative that will facilitate the transition from conventional tools to highfidelity tools by providing a common user interface for model creation, review, execution, output review, and visualization for integrated codes. The Workbench can use common user input, including engineering-scale specifications that are expanded into application-specific input requirements through the use of customizable templates. The templating process can enable multifidelity analysis of a system from a common set of input data. Additionally, the common user input processor can provide an enhanced alternative application input that provides additional conveniences compared with native input, especially for legacy codes. Expansion of the integrated codes and application templates available in the Workbench will broaden the NEAMS user community and will facilitate system analysis and design. Current and planned capabilities of the NEAMS Workbench are detailed herein.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Sierra/SolidMechanics 5.18: Example Problems Manual

Presented in this document are tests that exist in the Sierra/SolidMechanics example problem suite, which is a subset of the Sierra/SM regression and performance test suite. These examples showcase common and advanced code capabilities. A wide variety of other regression and verification tests exist in the Sierra/SM test suite that are not included in this manual.

97 MATHEMATICS AND COMPUTING↗

Abundances and Transients from Neutron Star–White Dwarf Mergers

Abstract We systematically investigate the mergers of neutron star–white dwarf binaries from beginning to end, with a focus on the properties of the inflows and outflows in accretion disks and their electromagnetic emissions. Using population synthesis models, we determine a subset of these binaries in which the white dwarf companion undergoes unstable mass transfer and complete tidal disruption, forming a large accretion disk around the neutron star. The material evolves according to a one-dimensional advection-dominated accretion-disk model with nuclear burning, neutrino emissions, and disk-surface wind ejection. The extreme dynamics of the entire process have proven difficult to analyze, and thus currently, the properties are poorly understood. The outflows from the mergers are iron- and nickel-rich, giving rise to optical and infrared emissions powered by the decay of the radioactive iron-type isotopes, calculated via the SuperNu light-curve code. We find these systems capable of powering bright, yet short-lived, optical transients with the potential to power gamma-ray bursts.

79 ASTRONOMY AND ASTROPHYSICS↗

Measurements of the L-shell X-ray emission of fluorine-like europium

Measurements of the L-shell X-ray emission of fluorine-like europium ions (Eu 54+ ) were made under controlled laboratory conditions on the EBIT-I electron beam ion trap at Livermore using an X-ray calorimeter, extending such measurements to the middle of the rare earth elements. Comparing the calorimeter spectra with atomic data from the flexible atomic code, we have identified and analyzed several prominent n = 3 → n = 2 transitions, including one two-electron, one-photon core changing transition and one electric quadrupole transition. We find that the measured energies are typically up to several eV higher than predicted.

74 ATOMIC AND MOLECULAR PHYSICS↗

Connecting the Light Curves of Type IIP Supernovae to the Properties of Their Progenitors

Abstract Observations of core-collapse supernovae (CCSNe) reveal a wealth of information about the dynamics of the supernova ejecta and its composition but very little direct information about the progenitor. Constraining properties of the progenitor and the explosion requires coupling the observations with a theoretical model of the explosion. Here we begin with the CCSN simulations of Couch et al., which use a nonparametric treatment of the neutrino transport while also accounting for turbulence and convection. In this work we use the SuperNova Explosion Code to evolve the CCSN hydrodynamics to later times and compute bolometric light curves. Focusing on Type IIP SNe (SNe IIP), we then (1) directly compare the theoretical STIR explosions to observations and (2) assess how properties of the progenitor’s core can be estimated from optical photometry in the plateau phase alone. First, the distribution of plateau luminosities ( L 50 ) and ejecta velocities achieved by our simulations is similar to the observed distributions. Second, we fit our models to the light curves and velocity evolution of some well-observed SNe. Third, we recover well-known correlations, as well as the difficulty of connecting any one SN property to zero-age main-sequence mass. Finally, we show that there is a usable, linear correlation between iron core mass and L 50 such that optical photometry alone of SNe IIP can give us insights into the cores of massive stars. Illustrating this by application to a few SNe, we find iron core masses of 1.3–1.5 M ⊙ with typical errors of 0.05 M ⊙ . Data are publicly available online on Zenodo: doi: 10.5281/zenodo.6631964 .

79 ASTRONOMY AND ASTROPHYSICS↗

exRNA-eCLIP intersection analysis reveals a map of extracellular RNA binding proteins and associated RNAs across major human biofluids and carriers

Although the role of RNA binding proteins (RBPs) in extracellular RNA (exRNA) biology is well established, their exRNA cargo and distribution across biofluids are largely unknown. To address this gap, we extend the exRNA Atlas resource by mapping exRNAs carried by extracellular RBPs (exRBPs). This map was developed through an integrative analysis of ENCODE enhanced crosslinking and immunoprecipitation (eCLIP) data (150 RBPs) and human exRNA profiles (6,930 samples). Computational analysis and experimental validation identified exRBPs in plasma, serum, saliva, urine, cerebrospinal fluid, and cell-culture-conditioned medium. exRBPs carry exRNA transcripts from small non-coding RNA biotypes, including microRNA (miRNA), piRNA, tRNA, small nuclear RNA (snRNA), small nucleolar RNA (snoRNA), Y RNA, and lncRNA, as well as protein-coding mRNA fragments. Computational deconvolution of exRBP RNA cargo reveals associations of exRBPs with extracellular vesicles, lipoproteins, and ribonucleoproteins across human biofluids. Overall, we mapped the distribution of exRBPs across human biofluids, presenting a resource for the community.

59 BASIC BIOLOGICAL SCIENCES↗

Simulations of radiatively cooled magnetic reconnection driven by pulsed power

Magnetic reconnection is an important process in astrophysical environments, as it reconfigures magnetic field topology and converts magnetic energy into thermal and kinetic energy. In extreme astrophysical systems, such as black hole coronae and pulsar magnetospheres, radiative cooling modifies the energy partition by radiating away internal energy, which can lead to the radiative collapse of the reconnection layer. In this paper, we perform two- and three-dimensional simulations to model the MARZ (Magnetic Reconnection on Z) experiments, which are designed to access cooling rates in the laboratory necessary to investigate reconnection in a previously unexplored radiatively cooled regime. These simulations are performed in GORGON, an Eulerian two-temperature resistive magnetohydrodynamic code, which models the experimental geometry comprising two exploding wire arrays driven by 20 MA of current on the Z machine (Sandia National Laboratories). Radiative losses are implemented using non-local thermodynamic equilibrium tables computed using the atomic code Spk, and we probe the effects of radiation transport by implementing both a local radiation loss model and P 1/3 multi-group radiation transport. The load produces highly collisional, super-Alfvénic (Alfvén Mach number M A ≈ 1.5), supersonic (Sonic Mach number M S ≈ 4–5) strongly driven plasma flows which generate an elongated reconnection layer (Aspect Ratio L/δ≈100 , Lundquist number S L ≈ 400). The reconnection layer undergoes radiative collapse when the radiative losses exceed the rates of ohmic and compressional heating (cooling rate/hydrodynamic transit rate = τ$^{–1}_{cool}$/τ$^{–1}_{H}$ ≈100); this generates a cold strongly compressed current sheet, leading to an accelerated reconnection rate, consistent with theoretical predictions. Lastly, the current sheet is also unstable to the plasmoid instability, but the magnetic islands are extinguished by strong radiative cooling before ejection from the layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

To Exascale and Beyond—The Simple Cloud-Resolving E3SM Atmosphere Model (SCREAM), a Performance Portable Global Atmosphere Model for Cloud-Resolving Scales

The new generation of heterogeneous CPU/GPU computer systems offer much greater computational performance but are not yet widely used for climate modeling. One reason for this is that traditional climate models were written before GPUs were available and would require an extensive overhaul to run on these new machines. In addition, even conventional “high–resolution” simulations don't currently provide enough parallel work to keep GPUs busy, so the benefits of such overhaul would be limited for the types of simulations climate scientists are accustomed to. The vision of the Simple Cloud-Resolving Energy Exascale Earth System (E3SM) Atmosphere Model (SCREAM) project is to create a global atmospheric model with the architecture to efficiently use GPUs and horizontal resolution sufficient to fully take advantage of GPU parallelism. After 5 years of model development, SCREAM is finally ready for use. In this paper, we describe the design of this new code, its performance on both CPU and heterogeneous machines, and its ability to simulate real-world climate via a set of four 40 day simulations covering all 4 seasons of the year.

54 ENVIRONMENTAL SCIENCES↗