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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2023

Modelling CN Zeeman effect observations of the envelopes of a low-mass protostellar disc and a massive protostar

We use the POLARIS radiative transfer code to produce simulated circular polarization Zeeman emission maps of the cyanide (CN) J = 1–0 molecular line transition for two types of protostellar envelope magnetohydrodynamic simulations. Our first model is a low-mass disc envelope system (box length L = 200 au), and our second model is the envelope of a massive protostar (L = 104 au) with a protostellar wind and a CN-enhanced outflow shell. We compute the velocity-integrated Stokes I and V, as well as the implied V/I polarization percentage, for each detector pixel location in our simulated emission maps. Our results show that both types of protostellar environments are in principle accessible with current circular polarization instruments, with each containing swaths of envelope area that yield percentage polarizations that exceed the 1.8 percent nominal sensitivity limit for circular polarization experiments with the Atacama Large Millimeter/submillimeter Array. In both systems, high-polarization (≳1.8 percent) pixels tend to lie at an intermediate distance away from the central star and where the line-centre opacity of the CN emission is moderately optically thin (τLC ~ 0.1–1). Furthermore, our computed V/I values scale roughly with the density-weighted mean line-of-sight magnetic field strength, indicating that Zeeman observations can effectively diagnose the strength of envelope-scale magnetic fields. We also find that pixels with large V/I are preferentially co-located where the absolute value of the velocity-integrated V is also large, suggesting that locations with favourable percentage polarization are also favourable in terms of raw signal.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Performance Evaluation of Heterogeneous GPU Programming Frameworks for Hemodynamic Simulations

Preparing for the deployment of large scientific and engineering codes on upcoming exascale systems with GPU-dense nodes is made challenging by the unprecedented diversity of device architectures and heterogeneous programming models. In this work, we evaluate the process of porting a massively parallel, fluid dynamics code written in CUDA to SYCL, HIP, and Kokkos with a range of backends, using a combination of automated tools and manual tuning. We use a proxy application along with a custom performance model to inform the results and identify additional optimization strategies. At scale performance of the programming model implementations are evaluated on pre-production GPU node architectures for Frontier and Aurora, as well as on current NVIDIA device-based systems Summit and Polaris. Real-world workloads representing 3D blood flow calculations in complex vasculature are assessed. Our analysis highlights critical trade-offs between code performance, portability, and development time.

Martin, Aristotle↗
DOE OSTI2023

Streaming Data from Experimental Facilities to Supercomputers for Real-Time Data Processing

In this paper we demonstrate direct data streaming from instruments and detectors at a large-scale experimental facility to a supercomputer for real-time data processing and feedback. Streaming data to supercomputers introduces the potential for novel scientific applications and workflow models, including the ability to provide real-time feedback from very large datasets during an experiment and the integration of real-time ML training and inference at scale. We discuss a successful demonstration for real-time processing of data from the Advanced Photon Source (APS) on the Polaris supercomputer using an EPICS-based streaming framework. We describe the capabilities of the streaming framework itself, and outline the architecture that allows us to process experimentally derived data on a supercomputer without file-based data transfers. We present throughput measurements that are indicative of system performance capable of sustaining the expected data production rates of the facility, as well as discuss some outstanding challenges and our future directions.

real-time processing↗
DOE OSTI2026

T-FSM: A Scalable Distributed Task-Based System for Frequent Subgraph Pattern Mining from a Big Graph

Finding frequent subgraph patterns in a big graph is an important problem with many applications such as classifying chemical compounds and building indexes to speed up graph queries. Since this problem is NP-hard, some recent parallel and distributed systems have been developed to accelerate the mining. However, they often have a huge memory cost, very long running time, suboptimal load balancing, poor scale-out capability, and possibly inaccurate results. In this article, we propose an efficient system called T-FSM for parallel mining of frequent subgraph patterns in a big graph. T-FSM supports a new anti-monotonic frequentness measure called Fraction-Score, which is more accurate than the widely used MNI measure. The execution engine of T-FSM supports both intra-machine parallelism and inter-machine parallelism. For intra-machine parallelism, T-FSM adopts a novel task-based execution model to ensure high multithreading concurrency, bounded memory consumption, and effective load balancing. For inter-machine parallelism, T-FSM ensures good scale-out performance with a lightweight pattern rebalancing approach that reduces workload skewness of pattern evaluations among machines. To avoid recomputing the contexts for migrated patterns, we design a novel context cache table to support concurrent and asynchronous requesting and caching of remote context data, which can timely evict and garbage collect used pattern contexts that are no longer needed to keep memory consumption bounded. Extensive experiments show that T-FSM is orders of magnitude faster than existing state-of-the-art parallel systems (more than 10×, 51×, 131×, 55× speedup over ScaleMine, DistGraph, Pangolin and Peregrine, respectively) and distributed systems (more than 42× and 88× over ScaleMine and DistGraph, respectively) for frequent subgraph pattern mining, and it scales out satisfactorily to 512 CPU cores on the Polaris supercomputer at Argonne National Laboratory.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Interactions Between Climate Policy and Technology-influenced Travel Behavior: Mitigating Induced Demand from CACC

Advances in vehicle technology have influenced the development of automated vehicle systems, where vehicles that do not require human intervention are already deployed in the roadway networks. While these advances are proved to increase roadway safety and highway capacity, more research is needed to understand the long-term and regional-level impacts on mobility, land use, energy consumption, and emissions. This study proposes a multi-model approach to analyze the effect of vehicle automation and deep decarbonization policies over a period from 2020 to 2040 in Austin, Texas. We use the Global Change Analysis Model (GCAM) to develop internally the scenarios that are then passed to the SMART Mobility modeling workflow, a large-scale simulation framework combining the POLARIS activity-based travel demand model and mesoscopic traffic simulator with the Autonomie vehicle energy consumption model and the UrbanSim land use simulator. Results suggest that the introduction of vehicles with advanced automation could increase fuel consumption when no decarbonization policies are implemented. Also, advances in vehicle technology research and development could lead to a decline in energy use in the long-term. Energy pricing and vehicle electrification incentives could help reduce the impact of vehicle automation. Finally, our analysis indicates the relevance of introducing land use processes in longterm vehicle automation studies.

land use↗
DOE OSTI2024

Clacc: OpenACC for C/C++ in Clang

The Clacc project has developed OpenACC compiler, runtime, and profiling interface support for C/C++ by extending Clang and LLVM. A key Clacc design feature is that it translates OpenACC to OpenMP to leverage the OpenMP offloading support that is actively being developed for Clang and LLVM. A benefit of this design is support for two compilation modes: traditional compilation mode produces a binary, and source-to-source mode produces OpenMP source. Clacc has been deployed on Oak Ridge National Laboratory’s (ORNL’s) Frontier, on which Clacc is the only OpenACC implementation for C/C++. Clacc supports x86_64, POWER9, AMD GPUs, and NVIDIA GPUs. Clacc’s OpenACC profiling interface support has been integrated with TAU, which is also deployed on Frontier. While Clacc has always supported C as a base language, Clacc also has increasing C++ support, including support for Kokkos’s OpenACC back end. Clacc itself is hosted publicly on GitHub. In this paper, we describe Clacc’s design and mapping from OpenACC directives to OpenMP. We also present a performance evaluation on ORNL’s Frontier (AMD MI250x GPU offload) and Argonne National Laboratory’s (ANL’s) Polaris (NVIDIA A100 GPU offload) for various SPEC ACCEL and Kokkos OpenACC back end benchmarks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

SCALE Lattice Physics Code Assessments of Accident Tolerant Fuel

This report highlights accident-tolerant fuel (ATF) code assessment activities performed under Project NRCHQ- 60-17-T-0017, Lattice Physics Enhancements and Assessment. ATF covers a broad range of advanced fuel and clad designs for light water reactors (LWRs) to enhance performance under several accident conditions. Several ATF concepts are anticipated to be deployed as lead test rods (LTRs) or lead test assemblies (LTAs) within the next five years. The purpose of this work is to assess the predictive capabilities of NRC neutronics codes that underpin various licensing calculations. ATF designs use different fuel and clad materials compared to standard UO 2 fuel and zirconium-alloy claddings (hereafter UO 2 -Zry). These new materials and geometrical designs need to be assessed to quantify the impact of nuclear data uncertainties on quantities of interest (QOIs) in licensing calculations and the impact of modeling approximations which may be valid for UO 2 -Zry but not for ATF. This report outlines a systematic approach for ATF neutronics code assessment which includes sensitivity and uncertainty (S/U) analysis of nuclear data, identification of experimental benchmark and gaps for code validation, investigation of modeling approximations, and code-to-code comparisons of calculated QOIs against high-fidelity reference continuous energy (CE) Monte Carlo (MC) calculations. This report focuses on the assessment of the SCALE/Polaris lattice physics code for reactor safety analysis. Polaris lattice physics calculations generate few group (FG) cross sections for PARCS full-core calculations. (Full-core analysis, spent fuel analysis, and severe accident analysis will be performed in future work.) The selected ATF concepts for this report include Cr 2 O 3 and Al 2 O 3 -Cr 2 O 3 -doped UO 2 fuel, U 3 Si 2 fuel, FeCrAl cladding, SiC cladding, and Cr-coated cladding.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Bench-Scale Development of a Hybrid Membrane-Absorption CO 2 Capture Process

This final technical report describes work conducted for the Department of Energy (DOE) on the development of a bench-scale hybrid membrane-absorption carbon dioxide (CO 2 ) capture system for coal-fired power plant applications (Cooperative Agreement number DE-FE0013118). The work was conducted by Membrane Technology and Research, Inc. (MTR) with major support from the University of Texas at Austin (UT Austin) from April 1, 2013 through September 30, 2018. The overall goal of this project was to evaluate two variations of a hybrid membrane-absorption capture system combining the MTR air-swept Polaris TM membrane technology, which enriches flue gas to ~20% CO 2 , with UT Austin’s absorption-based advanced flash stripper (AFS) using piperazine (PZ), to determine the superior hybrid variant and to assess the potential of hybrid capture systems to achieve a lower cost-of-capture, compared to NETL’s reference amine-based capture plant. This project included the evaluation, development and testing of a hybrid membrane-absorption CO 2 capture system for coal-fired power plant applications using the MTR high-gas-flow, lowpressure- drop membrane contactor. The ability of the membrane contactor to enrich coal-fired flue gas from its normal content of ~13% CO 2 into a smaller volume of gas containing 20-25% CO 2 – with minimal energy input – could reduce the cost of the final concentration process, regardless of whether it is absorption, adsorption, cryogenic, or membrane-based. In this project, we are evaluating the feasibility of a hybrid system combining the MTR sweep membrane technology with the UT Austin piperazine-based advanced flash stripper (PZAS) capture system.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

Energy Consumption and Cost Reduction of Future Light-Duty Vehicles through Advanced Vehicle Technologies: A Modeling Simulation Study Through 2050

The U.S. Department of Energy’s (DOE’s) Vehicle Technologies Office (VTO) and Hydrogen and Fuel Cell Technologies Office (HFTO) aim to develop sustainable, affordable and efficient technologies for transportation of goods and people. Translating investments in advanced transportation component technologies and powertrains to estimate vehicle-level fuel savings potential is critical for understanding DOE’s impact. In this work, we simulated technologies funded by VTO and HFTO for light duty vehicles. The simulations were performed across: Multiple powertrain configurations (i.e., conventional, power-split, extended-range electric vehicle, battery electric drive, and fuel-cell vehicles), Vehicle classes (i.e., compact car, midsize car, small sport utility vehicle [SUV], midsize SUV, and pickup trucks); and Fuels (i.e., gasoline, diesel, hydrogen, and battery electricity). These various technologies are assessed for six different timeframes: laboratory years 2015, 2020, 2025, 2030, and 2045. A delay of 5 years is assumed between laboratory year and model year (year technology is introduced into production). Finally, uncertainties are included for both technology performance and cost aspects by considering two cases: Low case, aligned with DOE technology manager estimates of expected original equipment manufacturer (OEM) improvements based on regulations, business as usual; and High case, aligned with aggressive technology advancements based on R&D targets developed through support by VTO & HFTO. These scenarios are not intended as predictions of future performances. The energy and cost impact of different technologies were estimated using Autonomie (www.autonomie.net), Argonne vehicle system simulation tool. Autonomie is a state-of-the-art vehicle system simulation tool used to assess the energy consumption, performance and cost of multiple advanced vehicle technologies across classes (from light to heavy duty), powertrains (from conventional to HEVs, FCEVs, PHEVs and BEVs), components and control strategies. Autonomie is packaged with a complete set of vehicle models for a wide range of vehicle classes, powertrain configurations and component technologies, including vehicle level and component level controls. These controls were developed and calibrated using dynamometer test data. Autonomie has been used to support a wide range of studies including analyzing various component technologies, sizing powertrains components for different vehicle requirements, comparing the benefits of powertrain configurations, optimizing both heuristic and route based vehicle energy control and predicting transportation energy use when paired with a traffic modeling tool such as POLARIS. This report documents the assumptions and estimates the vehicle-level energy consumption benefits and associated technology costs for the various types of light duty vehicles. All details of vehicle assumptions and simulation results are available in the spreadsheets accompanying this report.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Energy Impact of Connected and Automated Vehicle Technologies. Final report

The overarching goal of this project is to understand the potential impact of connected and automated vehicles. The goal was achieved through data collection, model development, algorithm designs, simulations, and limited field tests. The main outcomes from this project include: (1) we collected energy consumption and GPS data from 500 vehicles over one year, with a total mileage of 8 million miles; (2) Based on the collected data and other datasets collected at the University of Michigan, we developed a calibrated Ann Arbor model in Polaris (model developed by ANL), and the fuel economy accuracy was found to be around 3.9% by comparison with field collected data; (3) An open-source SUMO model of Ann Arbor was developed; (4) Eco-Routing algorithms in Ann Arbor using the SUMO model shows 6% fuel saving potential; (5) Experiments conducted at the Mcity test facility shows that human drivers roughly follow the Eco-driving suggestions roughly 70% of the time; (6) Based in the Ann Arbor travel patterns, we found that each shared automated vehicle can replace around 4 individually owned vehicles; and (7) Adaptive Traffic Signal Control Algorithm developed through this project has been validated both in simulations and preliminary test results. For connected and automated vehicles, on average the performance is 13% delay reduction, and 10% fuel reduction. While connected and automated vehicles are in their early stage of deployment, the results from this project confirm that there is significant potential for energy saving if the technologies are developed and used properly. The three main technologies studied in this project include eco-routing, shared autonomous rides, and adaptive traffic signal controls. The data collected and model developed through the project can be used to study many other connected and automated vehicle technologies.

02 PETROLEUM↗
DOE OSTI2020

Initial Engineering Design of a Post-Combustion CO 2 Capture (PCC) System for Duke Energy’s East Bend Station Using Membrane-Based Technology

The Electric Power Research Institute (EPRI) led a U.S. Department of Energy (DOE) funded study for a membrane-based post-combustion CO 2 capture (PCC) system retrofit to an existing U.S. coal power plant. EPRI teamed with technology suppliers, Membrane Technology and Research (MTR), engineering consultants Nexant, Trimeric Corporation and Bechtel Power Corporation, to develop a first-of-a-kind initial design and cost estimate for a PCC system at Duke Energy’s East Bend Station (EBS) in Kentucky. This project provides a comprehensive overview of the plant design proposed and develops estimated costs to within +/- 30% accuracy for retrofitting the existing EBS coal-fired power plant with the latest MTR’s second-generation Polaris™ membrane technology for CO 2 flue gas removal. The projects primary objective was to develop a design for Duke Energy that will require “minimally invasive surgery” on their existing 600-MWe coal-fired power plant, located on the Ohio River in Boone County, Kentucky. Unlike the current commercially available solvent-based capture systems that require a reliable source of steam to operate, the MTR membrane-based capture system is driven primarily by electric power. This direct, bolt-on approach to retrofitting carbon capture could potentially reduce the impact on the existing power plant, by minimal disruption of the existing facility’s infrastructure and operating procedures. This may also reduce the amount of retrofit downtime before the power plant can resume normal operations. A second objective was to reduce the cost of each ton of captured CO 2 while maintaining the existing 600 MW net output of the East Bend Station. With this aim in mind, various options to provide the necessary auxiliary power for the capture system were evaluated for the site. The full report describes in detail the overall design, layout and components of the entire EBS membrane capture system. The equipment and sizes, the capital cost estimate encompassing both engineering design and construction for the carbon capture process and balance of plant systems is presented. A detailed techno-economic analysis is also undertaken to examine the business case for capture.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Isotopic and Fuel Lattice Parameter Trends in Extended Enrichment and Higher Burnup LWR Fuel Vol I: PWR fuel

Commercial light water reactor (LWR) operators and fuel vendors in the United States are pursuing changes to nuclear fuel that include extended enrichment (EE) and accident-tolerant fuel (ATF) designs. The term EE (8% > 235 U > 5%) is used in this report to refer to a subset of high assay low-enriched uranium (HALEU) that is considered usable in commercial US LWRs in the near term. ATF features are designed to improve fuel system performance under accident conditions. One goal of EE is to improve fuel cycle economy by enabling fuel to be depleted to higher burnup than the typical current maximum pin burnup limits (62 gigawatt-days per metric ton of uranium [GWd/MTU]). Adoption of EE, ATF, and high burnup (HBU) fuels in the US commercial fleet requires a clear understanding of the effects on core physics parameters and used fuel isotopic content, as well as confidence in the accuracy of computer code predictions over an expanded range of materials, enrichment, and burnup. A thorough understanding of the applicability and adequacy of benchmark data (e.g., criticality, decay heat, isotopic content) for computer code validation is necessary to ensure that appropriate safety margins are maintained. To prepare for and support these potential changes, the effects of EE, ATF, and HBU are being assessed for selected representative LWR fuel designs. The project is divided into phases: this report summarizes the findings of Phase 1, which focuses on the lattice physics parameter and used fuel isotopic changes for a conventional Westinghouse 17×17 pressurized water reactor (PWR) design. The primary investigation tool is the SCALE Polaris code using the SCALE 56-group Evaluated Nuclear Data File (ENDF)/B-VII.1 cross sections. The goal of the current work is to (1) identify and explain important effects of EE and HBU (reactivity, lattice physics, and isotopic effects) assuming that PWR fuel design and usage remain similar to those for current enrichment fuel, (2) provide limited code-to-code comparisons with higher order cross section libraries and/or codes, and (3) identify any apparent anomalous trends in the results for further investigation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Assessment of Core Physics Characteristics of Extended Enrichment and Higher Burnup LWR Fuels using the Polaris/PARCS Two-Step Approach. Vol. I: PWR Fuel

Nuclear fuel with extended enrichment (235U enrichment within 5-8 wt%) is one of the evolutionary changes that have been pursued in recent years by commercial light water reactor operators and fuel vendors to improve the fuel cycle economy and operation performance of a nuclear plant. This work assesses the performance of the Polaris/PARCS two-step approach in core physics modeling of the pressurized water reactor cores with extended enrichment fuel, referred to as “LEU+” in this report. A representative LEU+ core with a 24-month fuel cycle developed by Southern Nuclear Company (SNC) was modeled using this two-step approach. A representative LEU core with an 18-month fuel cycle was also modeled to provide a reference for the LEU+ core. As expected, significantly more burnable poison absorbers were used in the LEU+ core to accomodate its higher fuel enrichment. Nine different fuel assembly types were modeled using Polaris for each core to generate the assembly cross sections, which were then processed by GenPMAX to prepare the cross-section data for PARCS. The average specific powers of each fuel batch in each core were derived from VERA results and higher specific powers in fresh assemblies were found in the LEU core due to its less total uranium loading included in the VERA LEU model, given that the total core power was assumed to be the same for both cores. PARCS models were developed to simulate the steady-state operations of both cores. PARCS results on the LEU+ core were first compared with the VERA results for verification purpose; good agreements were seen in soluble boron and burnup distribution results, indicating that the Polaris/PARCS modeling and simulation were correctly implemented. Core physics parameters calculated by PARCS, at zero power physics tests, beginning of cycle (BOC), and end of cycle conditions (EOC), were compared between the LEU+ core and the LEU core, including soluble boron concentration, burnup distributions, assembly and pin power peaking factors, fuel temperature reactivity coefficients, moderator temperature and density reactivity coefficients, control rod worth, and shut down margin. The main differences in PARCS results between the LEU+ and the LEU cores are summarized below: 1)The critical boron concentrations were found to be much higher in the LEU+ core than in the LEU core (1582 vs. 1335 ppm for peak values). 2)Higher assembly radial power peaking factors (1.4 vs. 1.3 for peak values), 2D pin peaking factors (1.53 vs. 1.42 for peak values), and 3D pin peaking factors (1.89 vs. 1.81 for peak values) were found in the LEU+ core than in the LEU core. 3)Significantly higher reactivity coefficients of moderator temperature (and density) were found in LEU+ than in LEU.4)Significantly lower control rod worth at EOC were found in LEU+ than LEU for all but one control banks.5)Significantly lower shut down margins were found in the LEU+ core than in the LEU core. The Polaris/GenPMAX/PARCS code suite was found to be capable of modeling the LEU+ PWR core for steady-state operations and no unexpected results in core physics parameters were observed, in spite of that a) several bugs in PARCS were identified and workarounds were used; b) several features were found lacking in the current version of PARCS that would be useful for core modeling. A list of requests for bug fixes and feature upgrades for PARCS originated from this work were transmitted to the code developers. The assessments on the performance of the Polaris/PARCS two-step approach in core modeling for boiling water reactor with LEU+ fuel is ongoing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Argonne Leadership Computing Facility: 2021 Operational Assessment Report

This Operational Assessment Report describes how the Argonne Leadership Computing Facility (ALCF) met or exceeded every one of its goals for calendar year (CY) 2021 as an advanced scientific computing center. In CY 2021, the ALCF operated its production resource, Theta, an Intel-based Cray XC40 system (11.7-petaflops) augmented with 24 NVIDIA DGX A100-based nodes (3.9-petaflops) that supports diverse workloads, integrating data analytics with artificial intelligence (AI) training and learning in a single platform. In 2021, we began deploying Polaris, our newest 40- petaflops system, and augmented this powerful testbed system with an additional 28 nodes to support the integration of real-time experiments and HPC resources. We also deployed our two largest storage systems yet, named Grand and Eagle, that will bring new services to our users and will power data-driven research for years to come. Last year, Theta delivered a total of 20.8 million node-hours to 16 Innovative and Novel Computational Impact on Theory and Experiment (INCITE) projects and 7.2 million node-hours to ASCR Leadership Computing Challenge (ALCC) projects (32 awarded during the 2020–2021 ALCC year and 17 awarded during the 2021–2022 ALCC year), as well as substantial support to Director’s Discretionary (DD) projects (5.5 million node-hours). As Table ES.1 shows, Theta performed exceptionally well in terms of overall availability (95.1 percent), scheduled availability (99.4 percent), and utilization (98.1 percent; Table 2.1). As of the submission date of this document, ALCF’s user community has published 249 papers in high-quality, peer-reviewed journals and technical proceedings. At the 2021 International Conference for High Performance Computing, Networking, Storage and Analysis (SC’21), Argonne researchers won two HPCwire Readers’ Choice Awards and were part of a Gordon Bell Prize finalist team recognized for developing an AI-enabled, multi-resolution simulation framework for studying complex biomolecular machines. Their framework was used to observe the SARS-CoV-2 replication-transcription machinery in action, by directly integrating experimental data. ALCF also provided a comprehensive program of high-performance computing (HPC) support services to help our community make productive use of the facility’s diverse and growing collection of resources. We are now entering the exascale era, with exascale machines being planned for national laboratories across the country, including Aurora at Argonne National Laboratory (Argonne) in 2023. ALCF researchers have been leading and guiding numerous strategic activities that will push the boundaries of what’s possible in computational science and engineering and allow us to deliver science on day one.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Transition Core Modeling for Extended Enrichment & Accident-Tolerant Fuels Using Polaris/PARCS

Commercial light water reactor (LWR) operators and fuel vendors are currently interested in increasing the low-enriched uranium (LEU) fuel enrichments from the current limit of 5.0 $^w/_o$ $^{235}U$ up to 10 $^ w/_o$ $^{235}U$ (referred to as "LEU+") in their current fleets; they are also interested in using accident-tolerant fuel (ATF) with both LEU and LEU+ fuel. This report aims to identify modeling challenges and accuracy concerns in transition core analysis using the SCALE Polaris lattice physics code and U.S. Nuclear Regulatory Commission core simulator PARCS. At the time this study was started, no publicly available LEU+ core designs existed for boiling water reactor (BWR) or pressurized water reactor (PWR) systems. Therefore, fuel lattices were shuffled within a multi-assembly model to mimic neutronically challenging lattice combinations seen in transition cores, such as a fresh LEU+ lattice next to depleted LEU lattices. In addition to multi-assembly models, whole-core BWR transition core calculations were performed for ATF and LEU+ fuel using an existing Hatch-1 Cycle 3 core model. A whole-core BWR model was chosen due to the more heterogeneous core designs compared to those for a PWR core. Since the original core is an old checkerboard core design and no core or fuel design optimization was performed for the modeled fuel types, these core calculations were intended only to provide: (1) Comparisons of core characteristics of interest, such as the pin power distributions and peaking factors, Doppler temperature coefficients (DTCs), and control blade worths (CBWs) under challenging core designs, (2) Identification of reactor physics challenges in modeling LEU+ and ATF cores, and (3) A stress test for the Polaris/PARCS two-step modeling approach, including characterization of the relative accuracy for predicting characteristics of interest such as pin power distributions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Fission Product Yields: SCALE/ORNL Perspective [Slides]

This presentation covers a few key points. First and foremost, that ORIGEN is a consumer of FPY data. Secondly, TRITON and POLARIS are assets which can be used to validate new FPY data, e.g., from existing radiochemical benchmarks and new irradiation experiments. Lastly, this presentation finds that new capabilities with covariance data should be developed, and V and V methods and analysis are also needed for the covariance data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

2022 Operational Assessment Report - Argonne Leadership Computing Facility

This Operational Assessment Report describes how the Argonne Leadership Computing Facility (ALCF) met or exceeded every one of its goals for the calendar year (CY) 2022. In CY 2022, ALCF operated Theta, an Intel-based Cray XC40 system (11.7 petaflops) augmented with 24 NVIDIA DGX A100-based nodes (3.9 petaflops), that supports diverse workloads, integrating data analytics with artificial intelligence (AI) training and learning in a single platform; and Polaris, a 44-petaflop AMD and NVIDIA-based HPE Apollo 6500 Gen10+ system that provides a powerful new platform to prepare applications and workloads for Aurora, Argonne National Laboratory’s (Argonne’s) upcoming Intel-Hewlett Packard Enterprise (HPE) exascale supercomputer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A Comprehensive Simulation Study to Evaluate Future Vehicle Energy and Cost Reduction Potential

Under the umbrella of EERE’s Office of Sustainable Transportation, the U.S. Department of Energy’s (DOE) Vehicle Technologies Office (VTO) and Hydrogen and Fuel Cell Technologies Office (HFTO) seek to develop sustainable, affordable, and efficient technologies for transportation of goods and people. Translating investments in advanced transportation component technologies and powertrains to estimate the potential for vehicle-level fuel savings is critical to understanding DOE’s impact and success in this mission For this study, Argonne National Laboratory (Argonne) simulated technologies funded by VTO and HFTO for light-duty vehicles across the following: Powertrain configurations (conventional, power-split hybrid electric vehicle, extended-range electric vehicle, battery electric drive, and fuel-cell vehicles); Vehicle classes (compact car, mid-size car, small sport utility vehicle [SUV], mid-size SUV, and pickup truck); Fuels (gasoline, diesel, natural gas, hydrogen, and battery electricity). We assessed each technology for five different timeframes: laboratory years 2015 (reference), 2020, 2025, 2030, and 2045. We assumed a delay of 5 years between laboratory year and model year (i.e., the year the technology is introduced into production). Finally, we included uncertainties for both technology performance and cost by considering two cases (note that these cases are not intended as predictions of future performance): Low case , aligned with DOE technology manager estimates of expected original equipment manufacturer (OEM) improvements based on business as usual regulatory and market environments; High case , aligned with aggressive technology advancements based on research and development (R&D) targets developed through support by VTO and HFTO. We estimated the energy and cost impact of different technologies using Autonomie (Argonne undated), a state-of-the-art vehicle system simulation tool developed by Argonne and used to assess the energy consumption, performance, and cost of multiple advanced vehicle technologies. The tool comprises a complete set of vehicle models to assess impacts across a wide range of classes (from light- to heavy-duty), powertrain configurations (from conventional to hybrid electric vehicles [HEVs], fuel cell electric vehicles [FCEVs], plug-in hybrid electric vehicles [PHEVs], and battery electric vehicles [BEVs]), components, and control strategies, including vehicle-level and component-level controls developed and calibrated using dynamometer test data. Autonomie has been used to support a wide range of studies: analyzing various component technologies, sizing powertrain components to meet different vehicle requirements, comparing the benefits of powertrain configurations, optimizing both heuristic and route-based vehicle energy control, and predicting transportation energy use when paired with a traffic modeling tool such as POLARIS. This report documents the assumptions made and the vehicle-level energy consumption benefits and associated technology costs estimated for various types of light-duty vehicles. Details regarding vehicle assumptions and simulation results are available in the spreadsheets accompanying this report.

08 HYDROGEN↗