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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Automated pipeline framework for processing of large-scale building energy time series data

Commercial buildings account for one third of the total electricity consumption in the United States and a significant amount of this energy is wasted. Therefore, there is a need for “virtual” energy audits, to identify energy inefficiencies and their associated savings opportunities using methods that can be non-intrusive and automated for application to large populations of buildings. Here we demonstrate virtual energy audits applied to large populations of buildings’ time-series smart-meter data using a systematic approach and a fully automated Building Energy Analytics (BEA) Pipeline that unifies, cleans, stores and analyzes building energy datasets in a non-relational data warehouse for efficient insights and results. This BEA pipeline is based on a custom compute job scheduler for a high performance computing cluster to enable parallel processing of Slurm jobs. Within the analytics pipeline, we introduced a data qualification tool that enhances data quality by fixing common errors, while also detecting abnormalities in a building’s daily operation using hierarchical clustering. We analyze the HVAC scheduling of a population of 816 buildings, using this analytics pipeline, as part of a cross-sectional study. With our approach, this sample of 816 buildings is improved in data quality and is efficiently analyzed in 34 minutes, which is 85 times faster than the time taken by a sequential processing. The analytical results for the HVAC operational hours of these buildings show that among 10 building use types, food sales buildings with 17.75 hours of daily HVAC cooling operation are decent targets for HVAC savings. Overall, this analytics pipeline enables the identification of statistically significant results from population based studies of large numbers of building energy time-series datasets with robust results. These types of BEA studies can explore numerous factors impacting building energy efficiency and virtual building energy audits. This approach enables a new generation of data-driven buildings energy analysis at scale.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Deep Packet/Flow Analysis using GPUs

aDeep packet inspection (DPI) faces severe performance challenges in high-speed networks (40/100 GE) as it requires a large amount of raw computing power and high I/O throughputs. Recently, researchers have tentatively used GPUs to address the above issues and boost the performance of DPI. Typically, DPI applications involve highly complex operations in both per-packet and per-flow data level, often in real-time. The parallel architecture of GPUs fits exceptionally well for per-packet network traffic processing. However, for stateful network protocols such as TCP, their data stream need to be reconstructed in a per-flow level to deliver a consistent content analysis. Since the flow-centric operations are naturally anti-parallel and often require large memory space for buffering out-of-sequence packets, they can be problematic for GPUs, whose memory is normally limited to several gigabytes. In this work, we present a highly efficient GPU-based deep packet/flow analysi s framework. The proposed design includes a purely GPU-implemented flow tracking and TCP stream reassembly. Instead of buffering and waiting for TCP packets to become in sequence, our framework process the packets in batch and uses a deterministic finite automaton (DFA) with prefix-/suffix- tree method to detect patterns across out-of-sequence packets that happen to be located in different batches. Evaluation shows that our code can reassemble and forward tens of millions of packets per second and conduct a stateful signature-based deep packet inspection at 55 Gbit/s using an NVIDIA K40 GPU.

Gong, Qian↗
DOE OSTI2018

Modular Spiking Neural Circuits for Mapping Long Short-Term Memory on a Neurosynaptic Processor

Due to the distributed and asynchronous nature of neural computation through low-energy spikes, brain-inspired hardware systems offer high energy efficiency and massive parallelism. One such platform is the IBM TrueNorth neurosynaptic system. Recently, TrueNorth compatible representation learning algorithms have emerged, achieving close to the state-of-the-art performance in various data sets. However, its application in temporal sequence processing models, such as recurrent neural networks (RNNs), is still only at the proof of concept level. There is an inherent difficulty in capturing temporal dynamics of an RNN using spiking neurons, which is only exasperated by the hardware constraints in connectivity and synaptic weight resolution. This paper presents a design flow that overcomes these difficulties and maps a special case of recurrent networks called long short-term memory (LSTM) onto a spike-based platform. The framework utilizes various approximation techniques, such as activation discretization, weight quantization, and scaling and rounding, spiking neural circuits that implement the complex gating mechanisms, and a store-and-release technique to enable neuron synchronization and faithful storage. While the presented techniques can be applied to map LSTM to any spiking neural network (SNN) simulator/emulator, here we choose the TrueNorth chip as the target platform by adhering to its hardware constraints. Three LSTM applications, parity check, extended Reber grammar, and question classification, are evaluated. The tradeoffs among accuracy, performance, and energy tradeoffs achieved on TrueNorth are demonstrated. Finally, this is compared with the performance on an SNN platform without hardware constraints, which represents the upper bound of the achievable accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Evaluation of Graph Analytics Frameworks Using the GAP Benchmark Suite

The analysis of connected data is an increasingly important application in high-performance computing. Such analyses can reveal fraudulent patterns in financial transactions, optimize telecommunications networks, predict information flow in social networks, etc. However, the landscape of graph analytics is highly diverse. Graph algorithms stress processor architectures differently, and no one graph can represent all topologies. Consequently, no single approach or framework is expected to be optimal for all graph analytics problems. To help make sense of this diverse landscape, we evaluated four approaches to graph analytics: GraphBLAS, Galois, BGL17, GraphIt; and compare them against hand-tuned implementations that take advantage of hardware features on our test platform. Graph- BLAS formulates graph analytics as sparse linear algebra. Galois provides syntactic constructs for data parallelism over irregular data structures. BGL17 is a generic C++ template library for implementing graph algorithms. GraphIt provides a domain- specific language to describe and optimize graph algorithms. We use the GAP Benchmark Suite to establish baseline performance and guide the side-by-side evaluation of each framework. GAP consists of 30 tests: six graph analytics algorithms (breadth- first search, single-source shortest path, PageRank, betweenness centrality, connected components, and triangle counting) run on five graphs, each with different topological characteristics (e.g., high diameter, skewed degree distribution, high average degree). High-performance reference implementations are included for each benchmark algorithm. Because a graph can be loaded into memory a number of ways (e.g., flat file on disk, compressed sparse format, data frames, retrieved from SQL or NoSQL databases), our evaluation focused on computational performance rather than I/O. Our results show the relative strengths of each framework.

Graph algorithms, Benchmarking, shared-memory prog↗
DOE OSTI2023

MOOSE: A Modular Platform for Fission and Fusion Multiphysics

The Multiphysics Object-Oriented Simulation Environment (MOOSE) Framework, as well as MOOSE-based simulation tools, have accelerated the development of fission energy and advanced reactor technologies through the United States Department of Energy, Office of Nuclear Science, Nuclear Energy Advanced Modeling & Simulation (NEAMS) Program. MOOSE contains a complete platform of multiphysics simulation capabilities, capable of running on massively parallel systems, and is developed in an open-source manner with great attention paid to high-quality software quality assurance practices. This overall approach could greatly benefit the fusion energy community, which requires rapid design iteration and improvement in order to facilitate the successful development of fusion as an alternative energy source to fossil fuels. In the first half of this talk, applications of MOOSE and MOOSE-based tools for advanced reactor designs will be showcased, as well as MOOSE ecosystem infrastructure (such as the NEAMS Virtual Test Bed) that enables and accelerates fission reactor design. In the second half, a discussion of how the MOOSE approach to modeling and simulation is currently being applied internationally in fusion energy research and development at the United Kingdom Atomic Energy Authority will be discussed, and ongoing/future domestic research efforts will be highlighted.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Block-structured, equal-workload, multi-grid-nesting interface for the Boussinesq wave model FUNWAVE-TVD (Total Variation Diminishing)

Abstract. We describe the development of a block-structured, equal-CPU-load (central processing unit), multi-grid-nesting interface for the Boussinesq wave model FUNWAVE-TVD (Fully Nonlinear Boussinesq Wave Model with Total Variation Diminishing Solver). The new model framework does not interfere with the core solver, and thus the core program, FUNWAVE-TVD, is still a standalone model used for a single grid. The nesting interface manages the time sequencing and two-way nesting processes between the parent grid and child grid with grid refinement in a hierarchical manner. Workload balance in the MPI-based (message passing interface) parallelization is handled by an equal-load scheme. A strategy of shared array allocation is applied for data management that allows for a large number of nested grids without creating additional memory allocations. Four model tests are conducted to verify the nesting algorithm with assessments of model accuracy and the robustness in the application in modeling transoceanic tsunamis and coastal effects.

Choi, Young-Kwang↗
NASA NTRS2018

A Versatile Simulation Framework for Elastodynamic Modeling of Structural Health Monitoring

Structural health monitoring (SHM) has the capacity to reduce failure by detecting damage during service life, by periodic, automated monitoring. Guided Wave (GW) Ultrasound is a common SHM approach for aerospace structures. Modelling the physics of GW SHM systems provides a route for understanding system dependencies, capabilities and limitations as damage evolves during service life. Such a toolset can strengthen the understanding of the connection between GW SHM results and the true material state. The most useful modelling tools are those that provide versatile solutions with respect to the simulated component geometry and computational grid connectivity. This work details a versatile application programming interface (API) for the elastodynamic finite integration technique for modelling GW SHM of metals. The custom code implementation, EFIT-CompCell, allows for the modelling of diverse geometries by automatically balancing the message passing interface parallelization layout. The user provides the basic parameters of the simulation and the software automatically performs an initial balancing based on anticipated computational loads, and establishes the CPU communication patterns for any geometry. This work describes the programming philosophy and code structure used to create EFIT-CompCell and compares its performance and capacity to simulation tools that are more specialized for specific architectures. Results are presented for a simulation of GW SHM of an aluminum fuselage section being tested by the FAA. The simulation consists of 733M voxels which took approximately 70 hours to complete 25000 time steps using 40 Intel Xeon E5-4650v2 Ivy Bridge processor cores.

Gregory, Elizabeth D.↗
DOE OSTI2020

Toward Large-Scale Image Segmentation on Summit

Semantic segmentation of images is an important computer vision task that emerges in a variety of application domains such as medical imaging, robotic vision and autonomous vehicles to name a few. While these domain-specific image analysis tasks involve relatively small image sizes (~ 10 2 × 10 2 ), there are many applications that need to train machine learning models on image data with extents that are orders of magnitude larger (~10 4 × 10 4 ). Training deep neural network (DNN) models on large extent images is extremely memory-intensive and often exceeds the memory limitations of a single graphical processing unit, a hardware accelerator of choice for computer vision workloads. Here, an efficient, sample parallel approach to train U-Net models on large extent image data sets is presented. Its advantages and limitations are analyzed and near-linear strong-scaling speedup demonstrated on 256 nodes (1536 GPUs) of the Summit supercomputer. Using a single node of the Summit supercomputer, an early evaluation of a recently released model parallel framework called GPipe is demonstrated to deliver ~ 2X speedup in executing a U-Net model with an order of magnitude larger number of trainable parameters than reported before. Performance bottlenecks for pipelined training of U-Net models are identified and mitigation strategies to improve the speedups are discussed. Together, these results open up the possibility of combining both approaches into a unified scalable pipelined and data parallel algorithm to efficiently train U-Net models with very large receptive fields on data sets of ultra-large extent images.

Seal, Sudip↗
DOE OSTI2023

2022 American Conference on Neutron Scattering (ACNS 2022)

The 11th American Conference on Neutron Scattering (ACNS 2022) will be held on June 5-9, 2022, in Boulder, CO. The Conference will provide essential information on the breadth and depth of current neutron-related research worldwide. Hosted by the Neutron Scattering Society of America, this year’s Conference will feature a combination of invited and contributed talks, poster sessions, and tutorials. Topics of the conference are: Advances in Neutron Facilities, Instrumentation and Software: Developments in sources, instrumentation, sample environments and control software. Hard Condensed Matter: Magnetism, correlated metals, quantum/topological materials, superconductors, ferroelectrics, multiferroics, glasses, and disorder phenomena. Submissions outlining examples of neutron scattering in industrial and engineering applications involving hard condensed matter systems are also encouraged. Soft Matter: Neutron studies of soft materials and related fields including in situ and in operando studies. Polymers, surfactants, emulsions, gels, nanoparticles, colloidal suspensions and more. Submissions of computational studies or applications of machine learning beneficial to neutron scattering experiments, as well as examples of neutron scattering in industrial and engineering applications are strongly encouraged. Biology, Biophysics and Biotechnology: Neutron studies of biological and biologically relevant systems. Proteins, bio membranes, biological assemblies, natural materials, nucleic acids, drug-delivery platforms and biomedical systems. Submissions of computational studies or applications of machine learning beneficial to biological neutron scattering experiments, as well as examples of neutron scattering in applied research involving biological systems, are strongly encouraged. Materials Chemistry and Energy: Neutron-based studies of functional materials and materials for energy applications. Examples include porous materials such as metal organic frameworks (MOFs), zeolites; phosphors; novel pigments; electrolytes; catalysts; ionic conductors/cathode materials; photovoltaic materials (hybrid perovskites); thermoelectrics; magnetocalorics/electrocalorics. Structural Materials and Engineering: Neutron scattering studies of materials and engineering processes including structural materials, concrete and metals, as well as engineering processes including combustion, corrosion, additive manufacturing, and others. Neutron Physics: Fundamental physical studies of the neutron and related areas. Emerging Applications in Neutron Scattering: Machine Learning and Data Science: Advances in computing power have contributed to rapidly evolving machine learning and data science fields that can be leveraged to the benefit of the neutron scattering community. The purpose of this session is to highlight recent advances in machine learning and data science and to serve as the foundation of a parallel data and computation track highlighting computation advances and applications in neutron scattering throughout the conference.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optimizing Error-Bounded Lossy Compression for Scientific Data With Diverse Constraints

Vast volumes of data are produced by today's scientific simulations and advanced instruments. These data cannot be stored and transferred efficiently because of limited I/O bandwidth, network speed, and storage capacity. Error-bounded lossy compression can be an effective method for addressing these issues: not only can it significantly reduce data size, but it can also control the data distortion based on user-defined error bounds. In practice, many scientific applications have specific requirements or constraints for lossy compression, in order to guarantee that the reconstructed data are valid for post hoc analysis. For example, some datasets contain irrelevant data that should be isolated in particular and users often have intuition regarding value ranges, geospatial regions, and other data subsets that are crucial for subsequent analysis. Existing state-of-the-art error-bounded lossy compressors, however, do not consider these constraints during compression, resulting in inferior compression ratios with respect to user's post hoc analysis, due to the fact that the data itself provides little or no value for post hoc analysis. In this work we address this issue by proposing an optimized framework that can preserve diverse constraints during the error-bounded lossy compression, e.g., cleaning the irrelevant data, efficiently preserving different precision for multiple value intervals, and allowing users to set diverse precision over both regular and irregular regions. We perform our evaluation on a supercomputer with up to 2,100 cores. Experiments with six real-world applications show that our proposed diverse constraints based error-bounded lossy compressor can obtain a higher visual quality or data fidelity on reconstructed data with the same or even higher compression ratios compared with the traditional state-of-the-art compressor SZ. Furthermore, our experiments also demonstrate very good scalability in compression performance compared with the I/O throughput of the parallel file system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

C-SAW: a framework for graph sampling and random walk on GPUs

Many applications require to learn, mine, analyze and visualize large-scale graphs. These graphs are often too large to be addressed efficiently using conventional graph processing technologies. Fortunately, recent research efforts find out graph sampling and random walk, which significantly reduce the size of original graphs, can benefit the tasks of learning, mining, analyzing and visualizing large graphs by capturing the desirable graph properties. This paper introduces C-SAW, the first framework that accelerates Sampling and Random Walk framework on GPUs. Particularly, C-SAW makes three contributions: First, our framework provides a generic API which allows users to implement a wide range of sampling and random walk algorithms with ease. Second, offloading this framework on GPU, we introduce warp-centric parallel selection, and two novel optimizations for collision migration. Third, towards supporting graphs that exceed the GPU memory capacity, we introduce efficient data transfer optimizations for out-of-memory and multi-GPU sampling, such as workload-aware scheduling and batched multi-instance sampling. Taken together, our framework constantly outperforms the state of the art projects in addition to the capability of supporting a wide range of sampling and random walk algorithms.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2007

Grid Task Execution

IPG Execution Service is a framework that reliably executes complex jobs on a computational grid, and is part of the IPG service architecture designed to support location-independent computing. The new grid service enables users to describe the platform on which they need a job to run, which allows the service to locate the desired platform, configure it for the required application, and execute the job. After a job is submitted, users can monitor it through periodic notifications, or through queries. Each job consists of a set of tasks that performs actions such as executing applications and managing data. Each task is executed based on a starting condition that is an expression of the states of other tasks. This formulation allows tasks to be executed in parallel, and also allows a user to specify tasks to execute when other tasks succeed, fail, or are canceled. The two core components of the Execution Service are the Task Database, which stores tasks that have been submitted for execution, and the Task Manager, which executes tasks in the proper order, based on the user-specified starting conditions, and avoids overloading local and remote resources while executing tasks.

Hu, Chaumin↗
NASA NTRS2016

Parallel Aircraft Trajectory Optimization with Analytic Derivatives

Trajectory optimization is an integral component for the design of aerospace vehicles, but emerging aircraft technologies have introduced new demands on trajectory analysis that current tools are not well suited to address. Designing aircraft with technologies such as hybrid electric propulsion and morphing wings requires consideration of the operational behavior as well as the physical design characteristics of the aircraft. The addition of operational variables can dramatically increase the number of design variables which motivates the use of gradient based optimization with analytic derivatives to solve the larger optimization problems. In this work we develop an aircraft trajectory analysis tool using a Legendre-Gauss-Lobatto based collocation scheme, providing analytic derivatives via the OpenMDAO multidisciplinary optimization framework. This collocation method uses an implicit time integration scheme that provides a high degree of sparsity and thus several potential options for parallelization. The performance of the new implementation was investigated via a series of single and multi-trajectory optimizations using a combination of parallel computing and constraint aggregation. The computational performance results show that in order to take full advantage of the sparsity in the problem it is vital to parallelize both the non-linear analysis evaluations and the derivative computations themselves. The constraint aggregation results showed a significant numerical challenge due to difficulty in achieving tight convergence tolerances. Overall, the results demonstrate the value of applying analytic derivatives to trajectory optimization problems and lay the foundation for future application of this collocation based method to the design of aircraft with where operational scheduling of technologies is key to achieving good performance.

aircraft↗
DOE OSTI2021

Computable and Operationally Meaningful Multipartite Entanglement Measures

Multipartite entanglement is an essential resource for quantum communication, quantum computing, quantum sensing, and quantum networks. The utility of a quantum state |ψ$\rangle$ for these applications is often directly related to the degree or type of entanglement present in |ψ$\rangle$. Therefore, efficiently quantifying and characterizing multipartite entanglement is of paramount importance. Here, in this work, we introduce a family of multipartite entanglement measures, called concentratable entanglements. Several well-known entanglement measures are recovered as special cases of our family of measures, and hence we provide a general framework for quantifying multipartite entanglement. We prove that the entire family does not increase, on average, under local operations and classical communications. We also provide an operational meaning for these measures in terms of probabilistic concentration of entanglement into Bell pairs. Finally, we show that these quantities can be efficiently estimated on a quantum computer by implementing a parallelized SWAP test, opening up a research direction for measuring multipartite entanglement on quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

A Framework for the Analysis of Compiler Optimizations

Compilers transform program source code to machine executable code. During this transformation, they perform a number of compiler optimizations to improve the performance of the generated executable code. Importantly, applying those optimizations depends on the source code structure, such as the parallel programming model used to parallelize an algorithm. Often, implementations of the same algorithm with different programming models have vastly different performance because the compiler optimized them differently. We create FAROS, a framework to structure and automate the analysis of compiler optimizations on programs. FAROS automates the building process, execution profiling, and analysis of compiler optimization of programs, through a configuration interface. It outputs compiler optimization reports to show which optimizations applied to which line of source code, leveraging compilation remarks output by the compiler. Also, FAROS supports benchmarking performance of different program versions by collecting execution time results. In this first release of FAROS, we provide a configuration file to analyze compiler optimization differences for sequential vs OpenMP compilation, including 38 programs consisting of HPC proxy/mini/large applications, and NAS and Rodina kernels for analysis.

Georgakoudis, Giorgis↗
DOE OSTI2019

Mixed Integer Nonlinear Programming Approaches to Enhance Resiliency and Response Strategies in Critical Infrastructure

Motivation. Critical infrastructures are large, complex engineered systems that must be operated robustly under abnormal conditions resulting from natural hazards or intentional acts. For example, electric power systems must be robust to line faults, water utilities must rapidly mitigate contamination incidents, and computing networks must adapt to adversarial intrusions to protect critical information. Problem. It is difficult for decision-makers within resiliency analysis in critical infrastructure to optimize designs and develop effective response strategies that can account for uncertainties. Facing incomplete information and the sheer scope that a natural hazard or attack vector may incorporate, response can be ineffective without reliable, scalable decision support tools. These problems are intrinsically nonlinear and involve discrete decisions, and unfortunately, existing off-the-shelf mathematical programming methods cannot support optimization-based decision-making of these nonlinear at scale. Method/Approach and Results. This project emphasized development of fundamental optimization strategies that supported real- time mitigation and response for critical infrastructures. In particular, the project developed multi- tree approaches based on piecewise outer-approximations for solution of mixed-integer nonlinear programming (MINLP) problems. These techniques alternate between an MILP or MISOCP relaxation to obtain a lower bound and candidate discrete solutions and an NLP subproblem to obtain upper bounds. Using tailored relaxations based on problem structure, these methods were used to solve several key applications in resilience and response of critical infrastructure. This work resulted in two open-source, copyrighted software packages: CORAMIN (https://github.com/Coramin/Coramin) -- an object-oriented mathematical programming framework that supports tailored multi-tree algorithms for solution of large- scale mixed-integer nonlinear programming; and EGRET (Electrical Grid Research and Engineering Toolkit) (https://github.com/grid- parity-exchange/Egret) -- a declarative mathematical programming framework built upon CORAMIN and Pyomo for formulation and solution of resilience and operations problems in power grid systems. Furthermore, these tools resulted in several important published results, including the following: The first known global optimization approach that could solve the unit-commitment problem with nonlinear power flow constraints on medium-sized test problems; Improved parallel optimization-based bounds tightening and strengthening of relaxations of AC power flow constraints; and, Optimization-based approaches for improved grid resilience and use of demand response to improve grid resilience with reduction in capital requirements. Result Implications. This project developed first-of-a-kind algorithms for decision-making in critical infrastructure resilience operations and planning, as well as a next-generation toolkit for MINLP researchers. These approaches leveraged high-performance computing architectures to solve some of the largest, most challenging nonlinear discrete optimization problems to global optimality, and these successes were captured in open-source software to enable optimization-based decision-making, and efficient solution of MINLP formulations for electric power transmission grids.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Performance Results on CPU/GPU Exascale Architectures for OMEGA: The Ocean Model for E3SM Global Applications

The US Department of Energy (DOE) conducts climate simulations on some of the world’s largest supercomputers. These exascale machines use heterogeneous architectures with both CPUs and GPUs, and scientific codes must adapt to make full use of this computing power. Los Alamos National Lab is developing Omega: The Ocean Model for E3SM Global Applications, which is specifically designed for modern exascale computers. It uses external libraries that have been optimized for a variety of architectures to run on different supercomputers. Omega is an unstructured-mesh ocean model based on TRiSK numerical methods. It will be the new ocean component of the DOE’s Energy Exascale Earth System Model (E3SM). The algorithms in Omega follow those of the current ocean component, MPAS-Ocean, but it will be written in C++ rather than Fortran to take advantage of the Kokkos performance portability library. Omega spatial operators are written as Kokkos kernels to run efficiently on both CPUs and GPUs. Work on Omega began in 2023 with a new C++ framework for unstructured mesh partitioning, halo exchanges, parallel IO, and Kokkos interfaces. The current version, Omega-0, is being developed to solve the shallow water equations and at present includes all of the tendency terms but not time stepping. Here we share the results of Omega-0 verification and performance testing. Verification includes unit tests implemented with CTest as well as convergence tests in Polaris, an in-house python package with a large suite of test problems. Performance tests compare simulations conducted on CPUs versus GPUs and across different architectures: tests are run on Frontier, which has AMD “Optimized 3rd Gen EPYC” CPUs and AMD MI250X GPUs, as well as Perlmutter, which is composed of AMD EPYC 7763 CPUs and NVIDIA A100 GPUs.

58 GEOSCIENCES↗
DOE OSTI2024

Bayesian Analysis of TRISO Fuel: Quantifying Model Inadequacy, Incorporating Lower-Length-Scale Effects, and Developing Parallel Active Learning Capabilities

The U.S. Department of Energy (DOE)’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel-cycle systems. This program has been providing engineering-scale support for the continued development of BISON, a high-fidelity, high-resolution fuel performance tool. Fuel behavior in nuclear reactors is governed by a complex network of mechanisms that interact with various other physics aspects in the reactor system. Any model developed to represent fuel behavior will likely be idealized, resulting in uncertainties when comparing their predictions against the observed data. In Fiscal Year (FY)-23, we initiated the Uncertainty Quantification (UQ) work by using Bayesian methods to establish a level of model trustworthiness and further improve it, with a particular emphasis on TRI-Structural isOtropic (TRISO) nuclear fuel. This year, we further expanded on that UQ work by investigating an approach to quantifying model inadequacy and accounting for lower-length scale (LLS) effects in TRISO silver (Ag) release modeling. Furthermore, we are implementing parallel active learning capabilities to reduce the computational cost (i.e., required computational resources and elapsed time) of performing UQ. Specifically, we utilized The Kennedy O’Hagan framework for Bayesian uncertainty quantification (KOH) to account for model inadequacy in TRISO Ag release predictions made by BISON. The KOH framework represents an improvement over the standard Bayesian framework used in FY-23. Explicitly accounting for model inadequacy in the Bayesian framework helps establish the level of experimental noise uncertainty in the Advanced Gas Reactor (AGR) data. We compared the inverse UQ results obtained from both the standard Bayesian and KOH frameworks in light of the AGR-2/3/4 data, and also compared the predictive UQ results obtained from these two frameworks in light of the AGR-1 data. Next, we investigated the impact of considering LLS effects in the Ag release simulations. We developed an expanded database of LLS simulated effective diffusivities for Ag, covering a wide range of microstructures and temperatures. Using this database, we developed a framework for incorporating LLS effects into the engineering-scale Ag release UQ. We developed both parametric and non-parametric approaches for bridging the length scales. We then investigated the inverse UQ results in light of the AGR-2/3/4 data and the predictive UQ results in light of the AGR-1 data, and compared the LLS-informed approach and the Arrhenius equation, which does not include microstructure information. Finally, we discussed implementing parallel active learning capabilities in the Multiphysics Object Oriented Simulation Environment (MOOSE)/BISON to reduce the computational cost (i.e., computational resources and elapsed time) of Bayesian UQ. For verification purposes, we first tested these new capabil ities on a species interaction problem. We then demonstrated them on the TRISO Ag release application, showing that parallel active learning capabilities can enhance the accuracy of UQ while also substantially reducing the computational cost in comparison to the reference methods developed in FY-23.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗