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At least 73 records · Page 4

A Conceptual Framework for HPC Operational Data Analytics

This paper provides a broad framework for under- standing trends in Operational Data Analytics (ODA) for High- Performance Computing (HPC) facilities. The goal of ODA is to allow for the continuous monitoring, archiving, and analysis of near real-time performance data, providing immediately actionable information for multiple operational uses. In this work, we combine two models to provide a comprehensive HPC ODA framework: one is an evolutionary model of analytics capabilities that consists of four types, which are descriptive, diagnostic, predictive and prescriptive, while the other is a four- pillar model for energy-efficient HPC operations that covers facility, system hardware, system software, and applications. This new framework is then overlaid with a description of current development and production deployments of ODA within leading- edge HPC facilities. Finally, we perform a comprehensive survey of ODA works and classify them according to our framework, in order to demonstrate its effectiveness.

Netti, Alessio↗

Extending SEER for Extreme Heterogeneity

Heterogeneous and multi-device nodes are increasingly common in high-performance computing and data centers, yet existing programming models often lack simple, transparent, and portable support for these diverse architectures. The main contribution of this work is the development of novel SEER capabilities to address this challenge by providing a descriptive programming model that allows applications to seamlessly leverage heterogeneous nodes across various device types. SEER uses efficient memory management and can select the proper device[s] depending on the computational cost of the applications. This is completely transparent to the programmer, thereby providing a highly productive programming environment. Integrating extreme heterogeneity into the SEER library as shown with the use of NVIDIA and AMD GPUs simultaneously allows it to expand and exploit the performance possibilities. Our analysis based on the well-known Conjugate Gradient algorithm reports accelerations above 1.5 × on computationally demanding steps of such an algorithm by using both architectures simultaneously.

Teranishi, Keita [ORNL] (ORCID:0000000166472690)↗

Integral LOCA fragmentation test on high-burnup fuel

Increasing the fuel burnup limit in light water reactors is sought to enhance fuel cycle economics and requires establishing a technical basis. Experimental observations of severe fuel fragmentation under loss-of-coolant-accident conditions at Halden and Studsvik had raised the need for additional considerations during the development of this technical basis. These test data suggested that the burnup threshold for high burnup fuel fragmentation may be influenced by pre-transient power. Additional loss-of-coolant-accident test data is therefore valuable to complement these tests and enhance the current state of understating. Oak Ridge National Lab has developed the Severe Accident Test Station capable of examining the oxidation kinetics and accident response of irradiated fuel and cladding materials for design basis accident and beyond design basis accident scenarios. Severe Accident Test Station provides various temperature profiles, steam, and the thermal shock conditions necessary for integral loss of coolant accident testing, defueled oxidation quench testing, and high-temperature beyond design basis accident testing. Severe Accident Test Station has been successfully installed and demonstrated in the Irradiated Fuels Examination Laboratory at Oak Ridge National Lab. Furthermore, descriptions of the in-cell re-fabrication capabilities and assembly of the loss-of-coolant-accident test train are provided. Installation of the Severe Accident Test Station system and in-cell re-fabrication restores United States capability to examine postulated and extended loss-of-coolant-accident conditions on spent fuel and cladding and provides a platform for evaluating advanced fuel and accident-tolerant fuel cladding concepts. Lastly, three in-cell integral loss-of-coolant-accident test were performed in the Severe Accident Test Station and compared to the Nuclear Regulatory Commission sponsored loss-of-coolant-accident test as well as the original loss-of-coolant-accident test performed at Argonne National Lab. Finally, the results of these tests as well as all publicly available integral loss-of-coolant-accident test were used to validate a threshold for high burnup fuel fragmentation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Requirements Description of GAMSOR and GAMSRC

This report presents the modeling and simulation capabilities of Argonne National Laboratory’s GAMSOR and GAMSRC code that is used in present reactor analysis activities. These capabilities will then be used to establish the set of verification tasks necessary to verify GAMSOR for use on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages. The GAMSOR program is a modified version of DIF3D used to obtain the coupled neutron gamma flux distributions for a given reactor system. GAMSOR was first developed in the 1980s and its work has progressed in parallel with DIF3D throughout its various development phases. While GAMSOR is compatible with DIF3D-FD and DIF3D-Nodal, DIF3D-VARIANT is most commonly used today and will be the focus of the present verification effort. As covered in [1], GAMSOR was built to provide more accurate heating distributions by explicitly solving for both the gamma and neutron heating distributions. Without this consideration, gamma heat is normally assumed to be deposited locally at the site of gamma production. This is acceptable for modeling some phenomena because the total energy production is preserved, but it can lead to inaccurate approximations of fluence-dependent behaviors such as fuel performance, swelling, cladding embrittlement, radiation induced creep, and power peaking. The outputs from GAMSOR are contained in multiple intermediate and final output files: FIXSRC, VARSRC, GTFLUX, GHFLUX, PWDINT, NPDINT, and GPDINT. DIF3D normally produces a PWDINT file containing power density results, with the assumption that gamma rays are absorbed where they are emitted (i.e., energy deposition is local with no modeled transport). With GAMSOR, neutron power density (NPDINT) and gamma power density (GPDINT) are both produced, with their summed power densities replacing the results in PWDINT for total heating (i.e., recoverable) power density.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Requirements Description of the PERSENT Software

This report presents the modeling and simulation capabilities of Argonne National Laboratory’s PERSENT (PERturbation and SENsitivity for Transport) code [1] that is used in modern commercial deployment reactor technologies. The identified capabilities will be used to establish the set of PERSENT verification tasks necessary to verify PERSENT for usage on commercial projects. A similar path was followed for the REBUS [2] and DIF3D [3] software packages.

97 MATHEMATICS AND COMPUTING↗

Requirements Description of DASSH-F

This report reviews the modeling and simulation capabilities of Argonne National Laboratory’s DASSH code that is used in present reactor analysis activities. These capabilities will be used to establish the set of verification tasks necessary to verify DASSH for use on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages. The DASSH program is a thermal analysis code designed to rapidly allow a reactor design engineer to obtain flow rates requirements that satisfy peak temperature constraints in the domain. DASSH is a follow-on development to the SE2-ANL software and SUPERENERGY-2 software that it is based upon. DASSH was designed to account for both neutron and gamma heating and is inherently connected to the GAMSOR part of the ARC suite of fast reactor analysis software. SE2-ANL is a developed piece of software from the 1980s while DASSH is a modern implementation with notable improvements in geometry handling. The most important upgrade of DASSH relative to SE2-ANL is that it can analyze multiple time points in a single run where SE2-ANL can only treat a single time point. This allows the user to understand the impact of and search the flow distribution for the entire operational period of a reactor design considering pressure drop, peak coolant and fuel temperatures, and thermal striping. DASSH has three input paths that have to be verified. The first input path builds the geometry and power distribution based upon the DIF3D model but ignores the gamma heating aspects of the problem. The second input path also builds the geometry from the DIF3D model but it takes the neutron and gamma heating distributions from GAMSOR. The third input path is to take the geometry and power distribution directly from user input (i.e. not coupled to DIF3D or GAMSOR). DASSH also has many built in correlations for material properties along with a user defined specification of the fuel, structure, and coolant properties. There are correlations for flow split, mixing, pressure drop, and heat transfer coefficients (subchannel rather than a direct methodology). In total, verification of DASSH will require an extensive testing to cover all possible user features of the software.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Vulnerability Research Development Program Guide v.1

SAND2021-15515 O The Vulnerability Research Development Program (VRDP) Guide is a training program developed to help general purpose computer science staff become independently capable vulnerability researchers. VRDP Guide is both a course description and curriculum for the program. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Salim, Nasser↗

0D Modeling of Reactor Networks Within Zuzax

We report on progress in developing macroscopic balance equations for combustion and electrochemistry systems. A steady state solution capability is described for the macroscopic reactor network, with an associated steady state continuation method and solution storage capability added in. An example is provided of continuation of a hydrogen flame versus the equivalence ratio. The reactor modeling capability is extended to charged fluid systems, with a description of the new ChargedFluidReactor, SubstrateElement, and MetalCurrentElement reactor classes and novel setup of unknowns within these reactors that preserve charge neutrality. Zuzax's setup for electrochemistry is explained including the specification of the electron chemical potential and the adherence to the SHE Reference electrode specification. The description of the different ways to enter electrochemical reaction rates are described, contrasted, and their derivations with respect to one another are derived. An example of using the ChargedFluidReactor within corrosion problems is provided. We present a description of calculations to understand the phenomena of corrosion of copper from a micron sized droplet of NaCl water droplet, where secondary spreading occurs. An analysis of the discrepancies with experiment is carried out, demonstrating that macroscopic balances can be an important tool for understanding what major factors need to be addressed for a better understanding of a physical system.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Evaluation of Gamma Ray Production - Quarterly Report FY22Q2

The LLNL team has performed the first systematic study of the effect of two-body weak currents in β decay rates across the entire mass table. In light and medium-mass nuclei, two-body weak currents from chiral effective field theory account for a significant portion of the phenomenological quenching of Gamow-Teller transition matrix elements. We examined the systematic effects of two-body axial currents on Gamow-Teller strength and β-decay rates in heavy nuclei within energy-density functional theory. We extended the charge-changing finiteamplitude pnFAM code to incorporate the contributions of two-body currents to the usual onebody linear response in the Gamow-Teller channel. We found that the two-body currents, as expected, usually quench both summed Gamow-Teller strength and decay rates, but by an amount that decreases as the neutron excess grows; see Fig. 1. In addition, they can enhance individual low-lying transitions, leading to decay rates that are quite different from those that an energy-independent quenching would produce, particularly in neutron-rich nuclei. This new physics capability is unique and provides the highest-fidelity description of β decay on the market. The underlying computational implementation can be reused to calculate γ-strength functions for finite-range nuclear potentials such as the Gogny force, which will allow us to benchmark some of our future developments against published results. The paper is in print in Phys. Rev. C.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Implementation of fuel management multi-cycle optimization capabilities in RAVEN optimization framework

Optimization in nuclear fuel-management assists the core reload engineer with finding optimal out-of-core and in-core strategies. RAVEN is INL’s open source software that is equipped with fuel-management optimization capabilities including single-cycle, single- and multi-objective optimization of pressurized water reactors (PWRs) loading patterns (LP) of a fresh core using genetic algorithm (GA) and non-dominated sorting genetic algorithm (NSGA-II). In practice, however, medium and long term planning of fuel-management needs a multi-cycle approach, where the history and availability of fuel assemblies is considered in the optimization process. In this paper, we present a description of an initial expansion of RAVEN fuel-management optimization capabilities for a multi-cycle optimization framework. N-th cycle optimization capabilities that account for the unique history of recycled fuel assembly in the core were added. The multi-cycle optimization approach taken is formulated as a cycle-wise optimization problem where out-of-core decisions are used to onset each cycle optimization. Out-of-core decisions are managed externally to the in-core optimization by a fuel inventory management module. A proof-of-concept optimization problem is also presented.

42 - ENGINEERING↗

Learning Global Proliferation Expertise Evolution Using AI-Driven Analytics and Public Information

Detecting and anticipating global proliferation expertise and capability evolution from unstructured, noisy, and incomplete public data streams is a highly desired, but extremely challenging task. Here, in this article, we present our pioneering data-driven approach to support the non-proliferation mission to detect and explain the evolution of proliferation expertise and capability development globally from terabytes of publicly available information (PAI), focusing on our knowledge extraction pipeline and descriptive analytics. We first discuss how we fuse nine open-source data streams, including multilingual data, to convert 4 TB of unstructured data to structured knowledge and encode dynamically evolving proliferation expertise representations—content and context graphs. For this, we rely on natural language processing (NLP) and deep learning (DL) models to perform information extraction, topic modeling, and distributed text representation (aka embedding) learning. We then present interactive, usable, and explainable descriptive analytics to refine domain knowledge and present it in a human-understandable form. Finally, we introduce future work avenues that will leverage our dynamic knowledge representations and descriptive analytics to enable predictive and prescriptive inferences to achieve real-time domain understanding and contextual reasoning about global proliferation expertise and capability evolution.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Quantum simulation of fundamental particles and forces

Key static and dynamic properties of matter — from creation in the Big Bang to evolution into subatomic and astrophysical environments — arise from the underlying fundamental quantum fields of the standard model and their effective descriptions. However, the simulation of these properties lies beyond the capabilities of classical computation alone. Advances in quantum technologies have improved control over quantum entanglement and coherence to the point at which robust simulations of quantum fields are anticipated in the foreseeable future. In this Perspective article, we discuss the emerging area of quantum simulations of standard-model physics, outlining the challenges and opportunities for progress in the context of nuclear and high-energy physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Offshore Testing Facility – Small Scale Turbine Testing and Development Final Technical Report

In July 2010 funding for an award was made available under contract DE-EE0004200 which is the focus of this report. Under this funding, The U.S. Department of Energy’s (USDOE) designated Florida Atlantic University’s (FAU) state of Florida marine renewable energy focused Center of Excellence for Ocean Energy Technology as the Southeast National Marine Renewable Energy Center (SNMREC). The award was advertised in 2008, when the USDOE Wind and Water Program issued a funding opportunity announcement (DE-PS36-08GO98030) to establish university-led National Marine Renewable Energy Centers (NMRECs). Although FAU was selected for this opportunity, funding did not become available until 2010 at which time three of the original five years of performance remained and scope was adjusted accordingly. This award was divided into two phases. The first phase focused on marine energy turbine system enhancement and research while the second phase aimed to advance offshore capabilities and testing opportunities for small-scale demonstration turbines. The project’s objective was to increase the nation’s capabilities, knowledge, and competitiveness with respect to ocean current energy technology. This project successfully achieved these goals by advancing marine energy technology testing opportunities and capabilities. This report details these accomplishments by phase and task. Descriptions include any relevant results, challenges, achievements, and outcomes. Additional intellectual products and publications are listed in the Appendix where detailed technical explanations can be found. Further, because this award designated SNMREC as a USDOE center, it challenges FAU to continue providing value for the marine energy sector in the long term. The direct accomplishments of this project, though noteworthy, are also the seeds for a greater partnership between the USDOE and FAU. SNMREC, leveraging its designation as an NMREC under this award, will expand these contributions for decades to come as a coordinated sustainable program that can serve the marine energy sector’s needs as they arise.

16 TIDAL AND WAVE POWER↗

Powering the Blue Economy: Progress Exploring Marine Renewable Energy Integration With Ocean Observations

The blue economy is a dynamic and rapidly growing movement that captures the interplay between economic, social, and ecological sustainability of the ocean and encompasses numerous maritime sectors and activities (e.g., commerce and trade; living resources; renewable energy; minerals, materials, and freshwater; and ocean health and data). The demand for ocean data to inform scientific, risk reduction, and national security needs is leading to a large increase in the number of deployed ocean observation and monitoring systems, most of which require increased power. Because ocean observation systems are often placed in remote locations, they primarily rely on energy storage (or in some cases in situ energy generation) to power instruments and equipment, which imposes limits on sampling rates, deployment times, and spatiotemporal resolution of data. The U.S. Department of Energy Water Power Technologies Office is exploring the potential for marine renewable energy (MRE) devices (largely wave and tidal energy converters) to provide power to support multiple blue economy opportunities. A portion of these opportunities focus on power at sea markets for providing power in off-grid and offshore locations to support a variety of ocean-based activities, including ocean observation and navigation, underwater vehicle charging, marine aquaculture, marine algae farming, and seawater mining. Initially, research has focused on better understanding how and where MRE can provide a consistent source of reliable power to extend ocean observing missions, including operation of autonomous underwater vehicles. Online surveys as well as phone and inperson interviews were conducted with experts in the field of ocean observing systems and observatories to gather end-user requirements, determine energy needs, identify opportunities for codevelopment, and pinpoint constraints for MRE to meet those needs. The surveys and interviews provided feedback on the potential for powering devices and vehicles using MRE, including identifying common themes and challenges that will inform foundational research and development steps needed to advance the integration of MRE with ocean observing systems. In most cases, additional power generation on the order of watts was identified as significantly beneficial to enhancing ocean observations capabilities.

marine renewable energy, powering the blue economy↗

Generalized grain boundary constitutive description implemented in a strain-gradient large-strain FFT-based formulation: Application to nano-metallic laminates

Herein this paper presents a general treatment of grain boundary constitutive behavior in the context of strain-gradient (SG) plasticity, and its numerical implementation in a large-strain (LS) elasto-viscoplastic (EVP) fast Fourier transform (FFT)-based micromechanical model. Two novel grain boundary constitutive equations are proposed, allowing for more accurate description of the Burgers vector flow at the grain boundary. The capabilities of the generalized SG-LS-EVPFFT formulation are illustrated for the case of kink-band formation during layer-parallel compression of nano-metallic laminates (NMLs), requiring consideration of the interaction between dislocations and interfaces.

36 MATERIALS SCIENCE↗

Validation of SAS4A/SASSYS-1 for predicting steady-state single-phase natural circulation

The validation of system analysis codes for nuclear reactor systems is required for the development and application of these computational tools. Designed as a comprehensive system analysis code for advanced nuclear reactors, SAS4A/SASSYS-1 requires validation of its physics model for capturing single-phase natural circulation behavior. To support the validation of SAS4A/SASSYS-1, high-precision experiments are performed capturing steady-state single-phase natural circulation on a scaled facility with comprehensive instrumentation. In this work, dedicated tests are performed quantifying the critical modeling parameters, and a single-phase natural circulation benchmark dataset is obtained with well-documented uncertainty and comprehensive facility description. The validation is then performed against the dataset examining the capability of SAS4A/SASSYS-1 in simulating steady-state single-phase natural circulation. The experimental facility is modeled in the candidate code. Solution verification is performed using Richardson-extrapolation-based estimators which quantify and restrict numerical errors from discretization. Input uncertainty provided by the benchmark dataset is forward propagated through the candidate code, quantifying the output uncertainty in a Monte Carlo approach. The composition of the output uncertainty is also quantified through a variance-based sensitivity analysis. With the uncertainty quantified for each individual condition, a detailed comparison between the simulation results and experimental data is performed covering the whole dataset. The results show consistent agreement for all primary parameters. The current validation activity provides a valuable benchmark dataset for the validation of system analysis codes in capturing single-phase natural circulation and demonstrates satisfactory prediction capability of SAS4A/SASSYS1 for steady-state single-phase natural circulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

ACES: Infrastructure As Code. Model Optimization and Performance Capability

Infrastructure as Code (IaC) refers to managing infrastructure (networks, physical/virtual machines, storage, and connection topology) in a descriptive model/language, rather than configuring it manually or using interactive configuration tools. Just like source code can be compiled to generate the same binary code, IaC enables generating the same environment every time it is applied. IaC is a key DevOps practice and is generally used in conjunction with continuous integration (CI) and continuous delivery (CD). In CI, all code changes are merged into a mainline branch and validated multiple times a day as developers check in their changes to the source code. In CD on the other hand, code changes are automatically packaged for a new release-to-production on a regular basis. This typically enables teams to deliver software changes much more quickly and often. Developing and managing the ACES platform using (IaC) is vital for the robust deployment and continued sustainment of this foundational computing capability. IaC and DevOps practices will help us solve many of the common challenges often encountered in developing and maintaining compute infrastructure. First, it will make the provisioning, deployment, and maintenance of the compute infrastructure across multiple environments much more efficient. Second, these processes help make the overall system much more stable by continuously testing new changes as they are introduced to the system. Third, it allows us to be much more confident of the security controls in place since they can be tested as part of the CI process and all new changes can be audited and tracked. Finally, IaC enables the ACES Platform to be adaptable to the emerging technologies due to its ability to spin up different test beds to evaluate and incorporate these technologies. This document addresses common infrastructure-management challenges, describes what happens if they are not addressed, and highlights the value of utilizing IaC to tackle them. Finally, we will provide a high-level overview of the IaC and DevOps practices being utilized by the ACES Platform team.

97 MATHEMATICS AND COMPUTING↗

Requirements Description of the REBUS Software for the Versatile Test Reactor

This report presents the modeling and simulation capabilities of Argonne National Laboratory’s fuel cycle analysis code, the REactor BUrnup System (REBUS), that will be relied on for the VTR project. These capabilities will then be used to establish the set of REBUS verification tasks necessary to verify REBUS for usage on the VTR project. A similar path was followed for the DIF3D software where its’ requirements and verification tasks were established. REBUS has been maintained by Argonne since the early 1960s to support its reactor design mission. That software transitioned from the original REBUS to REBUS-2 in the mid 1970s and to REBUS-3 in the mid 1980s. Since then REBUS has gone through many revisions to the current REBUS-11. Note that this version numbering is consistent with the progression of DIF3D, the base flux solver that REBUS is built upon. The name REBUS refers to a pictorial based puzzle as the original developers were inspired by having to track thousands of unique fuel assemblies as they are inserted into the reactor, depleted, shuffled, discharged, and reprocessed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗