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DOE OSTI2024

Towards exascale for wind energy simulations

We examine large-eddy-simulation modeling approaches and computational performance of two open-source computational fluid dynamics codes for the simulation of atmospheric boundary layer flows that are of direct relevance to wind energy production. The first code, NekRS, is a high-order, unstructured-grid, spectral element code. The second code, AMR-Wind, is a second-order, block-structured, finite-volume code with adaptive mesh refinement capabilities. The objective of this study is to co-develop these codes in order to improve model fidelity and performance for each. These features will be critical for running ABL-based applications such as wind farm analysis on advanced computing architectures. To this end, we investigate the performance of NekRS and AMR-Wind on the Oak Ridge Leadership Facility supercomputers Summit, using 4 to 800 nodes (24 to 4,800 NVIDIA V100 GPUs), and Crusher, the testbed for the Frontier exascale system, using 18 to 384 Graphics Compute Dies on AMD MI250X GPUs. We compare strong- and weak-scaling capabilities, linear solver performance, and time to solution. We also identify leading inhibitors to parallel scaling.

17 WIND ENERGY↗

DOE OSTI2022

Gamma Spectrometry Code Rodeo for Uranium Enrichment—FY 2021 Report

In FY22, the participating Department of Energy (DOE) laboratories continued the work on the project “Gamma Spectrometry Code Rodeo for Uranium Enrichment”. Oak Ridge National Laboratory (ORNL) and Lawrence Livermore National Laboratory (LLNL) continued their efforts to acquire spectra using uranium sources. A collimator (with side and back shields) was custom designed and constructed at ORNL. Spectra were acquired at ORNL using the uranium enrichment standards supplied by New Brunswick Laboratory (NBL) and the collimated M400 detector. Spectra were also acquired using steel absorbers of different thickness placed between the source and the collimated M400 detector. The plan was to ship the collimator to LLNL so that spectra could be acquired using the LLNL detector in collimated geometries. This activity was suspended since problems were noticed with the performance of the LLNL M400 detector. Also, it was brought to light to the project team that some of the aspects of the M400 detector had been updated by the vendor H3D in response to requests by the IAEA. In February 2021, the ORNL and LLNL M400 detectors were returned to the H3D factory in order to resolve the problems with the LLNL detector and to update ORNL and LLNL detectors to the same configuration as the M400 supplied to the IAEA. H3D repaired the LLNL M400 and performed the IAEA updates on both the ORNL and LLNL detectors. ORNL and LLNL received the detectors in April 2021. Data acquisition was continued using the upgraded detectors. ORNL re-collected the spectra using point sources and the NBL standards in uncollimated and collimated geometries. The collimator was shipped from ORNL to LLNL. Spectra were acquired at LLNL through Q4 of FY22. When the ORNL spectra were examined closely, it became apparent that there were spurious artifacts present in some of the spectra. This rendered suspect the ORNL spectra collected in June/July 2021 time frame. ORNL contacted H3D and per H3D’s advice, the M400 detector was returned to H3D for repairs in mid-August 2021. H3D diagnosed the problem and established that the root cause was the extra tight packaging that created a strain on the CZT crystals, causing one of them to break down. The repaired M400 was returned to ORNL in early September 2021. ORNL re-started data acquisition for the third time. Data was continued to be acquired at ORNL and LLNL through September 2021. The ORNL and LLNL data will be shared with the principal investigators from the analyzing laboratories. The GADRAS code and FRAM have been developed to have the capability to analyze the M400 spectra. Good quality spectra from FY21 have been analyzed using modified versions of GADRAS and FRAM. The spectra have also been analyzed using the GEM code. The analysis results from GADRAS, FRAM and GEM codes are presented and discussed in this report. Some preliminary results from FRAM and GEM analysis were presented in February 2021 at the U-Pu Isotopics Workshop sponsored by the IAEA. CZTU code is being modified to analyze M400 spectra. Data collection, code development and analysis will be continued in FY22 as per the FY22 Project Work Plan (PWP).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Starting with Solar: A Preliminary Assessment of Solar Energy Systems in Residential New Construction [Slides]

New homes provide a ready option for states hoping to reduce energy use, as evidenced by the steady increase in energy efficiency requirements in new home building codes. A less common approach is to specifically encourage or require new homes to produce their own carbon-free energy, through the installation of a solar energy system. Adopting these practices nationwide might significantly reduce new home energy use, but the drivers of the new solar home market have not been well studied. Partly filling this gap, this report looks at historical deployment trends of solar on over 500,000 new homes built through 2020 across 19 states and the District of Columbia, most of which were in California. California is a useful test case because if first incentivized in 2007, and more recently required in 2018, new homes to have solar. The report finds that solar adoption rates at roughly 40% in recent years in California eclipse—by a wide margin—rates in other states, which top out near 4%. The presence of California’s New Solar Home Partnership (NSHP) incentives appear strongly correlated with deployment levels, as do builder market share. The Top-10 builders in California installed solar in recent years at rates almost three times the average of non-Top-10 builders in the state. Interestingly, the authors found the same large builders did not install solar at the same elevated rates outside California, which might be related to the lack of incentives, they hypothesize. The report also investigates the characteristics of new solar homes such as living area (i.e., square feet), solar system size, frequency of battery installations, and use of third-party ownership. The authors also include quotes directly from builders to provide context to the findings.

14 SOLAR ENERGY↗

DOE OSTI2021

Stability and pulsation of the first dark stars

ABSTRACT The first bright objects to form in the Universe might not have been ‘ordinary’ fusion-powered stars, but ‘dark stars’ (DSs) powered by the annihilation of dark matter (DM) in the form of weakly interacting massive particles (WIMPs). If discovered, DSs can provide a unique laboratory to test DM models. DSs are born with a mass of the order of M⊙ and may grow to a few million solar masses; in this work we investigate the properties of early DSs with masses up to $\sim \! 1000 \, \mathrm{ M}_\odot$, fueled by WIMPS weighing 100 GeV. We improve the previous implementation of the DM energy source into the stellar evolution code mesa. We show that the growth of DSs is not limited by astrophysical effects: DSs up to $\sim \!1000 \, \mathrm{ M}_{\odot }$ exhibit no dynamical instabilities; DSs are not subject to mass-loss driven by super-Eddington winds. We test the assumption of previous work that the injected energy per WIMP annihilation is constant throughout the star; relaxing this assumption does not change the properties of the DSs. Furthermore, we study DS pulsations, for the first time investigating non-adiabatic pulsation modes, using the linear pulsation code gyre. We find that acoustic modes in DSs of masses smaller than $\sim \! 200 \, \mathrm{ M}_\odot$ are excited by the κ − γ and γ mechanism in layers where hydrogen or helium is (partially) ionized. Moreover, we show that the mass-loss rates potentially induced by pulsations are negligible compared to the accretion rates.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Time- and Energy-Resolved Coupled Saturn Radiation Environments Simulations Using the Integrated Tiger Series (ITS) Code

Using a newly developed coupling of the ElectroMagnetic Plasma In Realistic Environments (EMPIRE) code with the Integrated Tiger Series (ITS) code, radiation environment calculations have been performed. The effort was completed as part of the Saturn Recapitalization (Recap) program that represents activities to upgrade and modernize the Saturn accelerator facility. The radiation environment calculations performed provide baseline results with current or planned hardware in the facility. As facility design changes are proposed and implemented as part of Saturn Recap, calculations of the radiation environment will be performed to understand how the changes impact the output of the Saturn accelerator.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Shielding Benchmark Comparison - MCNP6.2

This report documents the calculations performed for a shielding code comparison between various Department of Energy (DOE) sites. These shielding calculations were performed using an experiment drawn from the International Handbook of Evaluated Criticality Safety Benchmark Experiments, published by the Organisation for Economic Cooperation and Development/Nuclear Energy Agency (OECD/NEA). The benchmark selected for comparison is ALARM-CF-AIR-LAB-001 (“Neutron Fields in the Three-Section Concrete Labyrinth from Cf-252 Source, Benchmark ALARM CF AIR LAB-001”). The Y-12 submission for this code comparison was performed with Monte Carlo N Particle (MCNP) Transport Code System, Version 6.2 and Automated Variance Reduction Generator (ADVANTG).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

NRWAL (NLR formerly known as NREL Wind Analysis Library) [SWR-21-26]

NRWAL (NLR (National Laboratory of the Rockies) formerly known as NREL (National Renewable Energy Laboratory) Wind Analysis Library: A library of offshore wind cost equations (plus new energy technologies like marine hydro!) Easy equation manipulation without editing source code Full continental-scale integration with the NREL Renewable Energy Potential Model (reV) https://nrel.github.io/reV/ Ready-to-use configs for basic users Dynamic python tools for intuitive equation handling One seriously badass sea unicorn To get started with NRWAL, check out the NRWAL Config documentation or the NRWAL example notebook. You can also launch the notebook in an interactive jupyter shell right in your browser without any downloads or software using binder. Ready to build a model with NRWAL but don't want to contribute to the library? No problem! Check out the example getting started project here. Here is the important stuff: The NRWAL Equation Library. Default NRWAL Configs

Nunemaker, Jacob↗

NASA NTRSDate not supplied

L2-Charged Particle Environment (L2-CPE)Low Energy Radiation Fluence Model

The L2 Charged Particle Environment (L2-CPE) model provides estimates of number flux and fluence for the low energy electron, proton, and alpha particle populations in the near Earth solar wind and the Earth’s distant magnetosheath and magnetotail. The model is an engineering tool for specifying radiation environments over an energy range from a few eV to a few MeV of importance to surface dose and radiation damage to thin space exposed materials and is intended for use in space system design applications. Mission fluences are obtained by simulating a spacecraft flight trajectory through time-dependent bow shock and magnetopause boundaries with dimensions and orientations driven by solar wind parameters. Monte Carlo sampling of flux environments within individual plasma regimes and/or fluence accumulated along a fight trajectory through multiple regimes is used to determine statistical variations (means and extremes) of the differential number flux and fluence environments for each of the three charged particle species. Model output is differential (in energy) number fluence and flux for the three particle species in units of particles/cm2-keV and particles/cm2-sec-keV, respectively. Users can select the energy range of interest but the current version of the code (L2-CPE Version 1.4.2d) is limited to an energy range of 1 eV to 10 MeV. Flux is integrated over angle to give flux and fluence to surfaces in the ±XGSE, ±YGSE, and/or ±ZGSE directions. Figure 1 shows the opening screen from the L2-CPE graphical user interface (GUI) with options for flux, fluence, plotting model output. The flux scene generate is not currently implemented in the GUI.

Joseph I Minow↗

DOE OSTI2020

Code-to-code-to-experiment validation of LES-ALM wind farm simulators

The aim of this work is to present a detailed code-to-code comparison of two Large-Eddy Simulation (LES) solvers. Corresponding experimental measurements are used as a reference to validate the quality of the CFD simulations. The comparison highlights the effects of solver order on the solutions, and it tries to answer the question of whether a high order solver is necessary to capture the main characteristics of a wind farm. Both solvers were used on different grids to study their convergence behavior. While both solvers show a good match with experimental measurements, it appears that the low order solver is more accurate and substantially cheaper in terms of computational cost.

17 WIND ENERGY↗

DOE OSTI2026

NGEE Arctic Integrated Modeling (IM3): Improved snow-vegetation interaction

This data product represents the integration of new code capability for arctic tundra snow-vegetation-terrain interactions into the Energy Exascale Earth System Model (E3SM), through the E3SM Land Model (ELM) component. This code integration is the result of collaborative effort between the NGEE Arctic project and the E3SM project. The NGEE Arctic project developed a total of six Integrated Modeling (IM) modules informed by observations and experiments. New ELM capability represented by this data product (IM3) falls into three categories: 1) Downscaling from gridcell to topographic unit level when working through the existing coupler bypass code. 2) Four new parameters (taper, stocking, bendresist, and vegshape) have been added to ELM to allow for flexible definition of snow-vegetation interactions. 3) Vegshape and bendresist parameters are used to calculate the fraction of leaf area and/or stem area buried by snow for a given snow depth. This data record consists of a single document (pdf format) that describes the theoretical basis for the snow-vegetation-terrain interactions added to ELM, and describes the modifications made to the ELM code. The Methods section of this metadata record includes a link to the public E3SM code repository where the exact code modifications as integrated in E3SM can be accessed. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

Thornton, Peter E [ORNL] (ORCID:0000000247595158)↗

DOE OSTI2022

Development of a high-fidelity multi-physics coupling between MCNP6.2 and CTF4.0 for VVER applications

Ensuring system safety in the design, licensing, and operation phases is a priority in the nuclear industry. Performing extensive, full-scale reactor safety experiments is often prohibitive due to the large associated costs. Computational simulations offer an alternative safety analysis method, typically with significant cost reductions. Recent high-level developments in technology and increased availability of computational resources have allowed the development of high-fidelity, high-resolution multi-physics coupled codes. Such developments may be used to generate reference models for deterministic core calculations. Under this framework, the high-fidelity continuous energy Monte Carlo-based neutron transport code MCNP6.2 was coupled externally with the state-of-the-art thermal-hydraulics subchannel code, CTF4.0 for VVER (Water-Water Energetic Reactor) applications. A VVER-1000 fuel assembly model was used to demonstrate the capability of the coupled code. The converged coupled solution is compared to initial results, consisting of the first MCNP evaluation and first CTF evaluation after initialization. The VVER-1000 type assembly results are compared to other evaluations of the same assembly model. The findings indicate good agreement with expectations and reference cases, where available. The initial results of the coupled MCNP6.2/CTF4.0 calculations at the assembly level for steady-state calculations are presented in this study, which may support future work toward high-fidelity coupled full-core modeling capabilities. The multi-physics model may be further improved, enhanced, and expanded for both cycle depletion and transient applications. Such a multi-physics system will also be applicable to the VVER-1200 and other triangular lattice designs and support their deployment and operation safely and economically. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS2004

Numerical Modeling and Testing of an Inductively-Driven and High-Energy Pulsed Plasma Thrusters

Pulsed Plasma Thrusters (PPTs) are advanced electric space propulsion devices that are characterized by simplicity and robustness. They suffer, however, from low thrust efficiencies. This summer, two approaches to improve the thrust efficiency of PPTs will be investigated through both numerical modeling and experimental testing. The first approach, an inductively-driven PPT, uses a double-ignition circuit to fire two PPTs in succession. This effectively changes the PPTs configuration from an LRC circuit to an LR circuit. The LR circuit is expected to provide better impedance matching and improving the efficiency of the energy transfer to the plasma. An added benefit of the LR circuit is an exponential decay of the current, whereas a traditional PPT s under damped LRC circuit experiences the characteristic "ringing" of its current. The exponential decay may provide improved lifetime and sustained electromagnetic acceleration. The second approach, a high-energy PPT, is a traditional PPT with a variable size capacitor bank. This PPT will be simulated and tested at energy levels between 100 and 450 joules in order to investigate the relationship between efficiency and energy level. Arbitrary Coordinate Hydromagnetic (MACH2) code is used. The MACH2 code, designed by the Center for Plasma Theory and Computation at the Air Force Research Laboratory, has been used to gain insight into a variety of plasma problems, including electric plasma thrusters. The goals for this summer include numerical predictions of performance for both the inductively-driven PPT and high-energy PFT, experimental validation of the numerical models, and numerical optimization of the designs. These goals will be met through numerical and experimental investigation of the PPTs current waveforms, mass loss (or ablation), and impulse bit characteristics.

Parma, Brian↗

DOE OSTI2025

Quantifying and Zoning Urban Heat Island Effects Using Unsupervised Machine Learning

This work explores the Urban Heat Island (UHI) effects in Maricopa County, Arizona, employing a simulation-based approach that combines large-scale building energy modeling with advanced spatial analysis. Utilizing the Automatic Building Energy Modeling (AutoBEM) software suite, we simulated the energy consumption for approximately 1.35 million buildings based on the Model America version 1.0 (MAv1) dataset. Our methodology incorporated spatial analysis at multiple scales, including individual buildings, clusters of zones determined by K-means clustering, and geographical level evaluation based on Zip codes. The results revealed significant variations in energy consumption and heat emissions across different building types and urban zones. High-emission hotspots identified through clustering pointed to areas most contributing to the UHI effects. Zip code-based area analysis further contextualized these findings, offering an urban context-based perspective on emission distribution and informing potential urban energy policies for mitigating UHI effects.

Chowdhury, Shovan [ORNL]↗

DOE OSTI2021

Serpent and MCNP Calculations of the Energy Deposition in the Transformational Challenge Reactor

This paper focuses on the calculation of the energy deposition in the Transformational Challenge Reactor by two major Monte Carlo codes: Serpent and MCNP. The first software computation relies on Kinetic Energy Released per unit Mass (KERMA) factors while the second one relies on Q-values. The results from these two independent computation methodologies are in very good agreement; however, Serpent runs much faster than MCNP (for the same computational model) and allows for a detailed energy deposition distribution from a 1-mm-side square mesh with a relative statistical error between 0.5% and 1%. This detailed energy deposition is suitable for multiphysics analyses aimed at design optimizations. In order to calculate the energy deposition, Serpent needs enhanced ACE files (distributed by the software developers). Unlike other Monte Carlo software that uses inputs based on Python or Java languages, the Serpent input syntax is very similar to that of MCNP; a Python script can convert a MCNP input to a Serpent input in seconds. For simulations not requiring the calculation of the energy deposition, Serpent can also read nuclear data from MCNP ACE files, which eventually improves the comparison of the results of the two codes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1985

Operating characteristics of a prototype high energy gamma-ray telescope

The field of gamma-ray astronomy in the energy range from ten to several hundred MeV is severely limited by the angular resolution that can be achieved by present instruments. The identification of some of the point sources found by the COS-B mission and the resolution of detailed structure existing in those sources may depend on the development of a new class of instrument. The coded aperture mask telescope, used successfully at X-ray energies hold the promise of being such an instrument. A prototype coded aperture telescope was operated in a tagged photon beam ranging in energy from 23 to 123 MeV. The purpose of the experiment was to demonstrate the feasibility of operating a coded aperture mask telescope in this energy region. Some preliminary results and conclusions drawn from some of the data resulting from this experiment are presented.

Jenkins, T. L.↗

DOE OSTI2021

Validation of Light Water Reactor Ex-Core Calculations with VERA

The Consortium for Advanced Simulation of Light Water Reactors (CASL) Virtual Environment for Reactor Applications (VERA) is a reactor simulation software. It offers unique capabilities by combining high-fidelity in-core radiation transport with temperature feedback by using MPACT (a deterministic neutron transport code) and COBRA-TF (a thermal-hydraulic code) with follow-on, fixed-source transport calculations using the Shift Monte Carlo code to calculate ex-core quantities of interest. In these coupled calculations, MPACT provides Shift with the fission source for follow-on ex-core calculations. These ex-core simulations can be set up to calculate detector responses, as well as the flux and fluence in ex-core regions of interest, such as the reactor pressure vessel, nozzle, and irradiated capsules. A Watts Bar Nuclear Plant Unit 1 (WBN1) ex-core model was developed, as described in this paper, and this model was used to perform coupon calculations. The results for the coupon flux calculations show close agreement with the reference values for cycle 1 produced by the two-dimensional Discrete Ordinates Transport (DORT) code and presented in a BWXT Services Inc. report. However, differences in the results (10%) seen in cycles 2 and 3 and the reasons for these differences are discussed in this paper. The VERA WBN1 model was also used to perform a vessel fluence calculation for cycle 1. Additionally, a collaboration between CASL and Duke Energy led to the first code-to-code validation of VERA for reactor ex-core applications that used a model for the Shearon Harris reactor. Results from this collaboration show excellent agreement between VERA and the Monte Carlo N-Particle Transport Code for the detector response calculations. The work performed under this collaboration is also detailed in this paper.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1983

The effects of Reed-Solomon code shortening on the performance of coded telemetry systems

The theory of Reed-Solomon code shortening in general was developed and the degradation due to shortening in the context of concatenated coding was qualified. It is shown that in the NASA/ESA concatenated system, significant degradations occur only when N 180. A Reed-Solomon code was concatenated with an inner (7, 1/2) convolutional code. Under some circumstances, it would be desirable to use a shorter outer code word length. For example, the format of the data coming from science instruments on board a spacecraft may lend itself naturally to a word length of 200 symbols rather than 223. To accommodate such code word lengths, the Reed-Solomon code can be shortened to an (N, N-32) code where N can be any integer between 33 and 255. Shortening the code, however, changes its performance. On one hand, the amount of redundancy per information symbol increases. Because of this increased redundancy, the amount of energy per information symbol is decreased by code shortening. The overall effect is to degrade the performance of the code.

Deutsch, L. J.↗

NASA NTRS1993

Cavitation Modeling in Euler and Navier-Stokes Codes

Many previous researchers have modeled sheet cavitation by means of a constant pressure solution in the cavity region coupled with a velocity potential formulation for the outer flow. The present paper discusses the issues involved in extending these cavitation models to Euler or Navier-Stokes codes. The approach taken is to start from a velocity potential model to ensure our results are compatible with those of previous researchers and available experimental data, and then to implement this model in both Euler and Navier-Stokes codes. The model is then augmented in the Navier-Stokes code by the inclusion of the energy equation which allows the effect of subcooling in the vicinity of the cavity interface to be modeled to take into account the experimentally observed reduction in cavity pressures that occurs in cryogenic fluids such as liquid hydrogen. Although our goal is to assess the practicality of implementing these cavitation models in existing three-dimensional, turbomachinery codes, the emphasis in the present paper will center on two-dimensional computations, most specifically isolated airfoils and cascades. Comparisons between velocity potential, Euler and Navier-Stokes implementations indicate they all produce consistent predictions. Comparisons with experimental results also indicate that the predictions are qualitatively correct and give a reasonable first estimate of sheet cavitation effects in both cryogenic and non-cryogenic fluids. The impact on CPU time and the code modifications required suggests that these models are appropriate for incorporation in current generation turbomachinery codes.

Deshpande, Manish↗