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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 OSTI2021

Summary of CTF Modeling and Numerical Improvements for Boiling Water Reactor Simulation

This report documents geometry and numerical improvements made to CTF for the modeling of boiling water reactor (BWR) geometry and operating conditions. These activities are part of a larger program to extend the Virtual Environment for Reactor Applications (VERA) to better support BWR modeling and simulation. The activities documented in this report added features to CTF, including support for mixed-fuel cores, modeling of the upper plenum, and modeling of the lower tie plate form losses. A review of the spacer grid modeling approach was also performed, and a plan was discussed for future improvement. The parallelization of the model was improved, leading to a roughly 2× improvement in CTF runtime and a 1.6× improvement in total VERA runtime. An in-depth review of the governing equations and their linearization was performed and is documented in this report. Once implemented, this new linearization will allow CTF to take much larger timesteps, leading to more significant reductions in CTF and VERA runtimes.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Regulatory Treatment of Non-Core Sources of Radioactivity for Advanced Reactor Designs

The recent resurgence in advance (non-light water) reactor development has been paralleled by the development of risk-informed performance-based (RIPB) licensing pathways. Specifically, the creation of the RIPB Licensing Modernization Project (LMP) approach and subsequent endorsement by the U.S. Nuclear Regulatory Commission (NRC) now provides advanced reactor vendors with a defined RIPB method to develop an affirmative safety case for licensing. In addition, the Technology Inclusive Content of Applications Project (TICAP) has published guidance on developing a license application based on the LMP approach. To support the utilization of risk information as part of advanced reactor design and licensing efforts, the American Society of Mechanical Engineers (ASME)/American Nuclear Society (ANS) Joint Committee on Nuclear Risk Management (JCNRM) has developed a probabilistic risk assessment (PRA) standard for advanced reactors. The standard, which was formerly approved by the American National Standards Institute (ANSI) in 2021 and recently endorsed by the NRC in trial use Regulatory Guide (RG) 1.247, is an integral standard, covering from initiating events to offsite consequence. A major feature of the standard is that it permits the inclusion of any source of radioactivity material at the site within the plant PRA. Therefore, non-core sources of radioactivity, such as fuel storage, fuel processing, and purification systems, can be included within a single comprehensive plant PRA. For those advanced reactor vendors utilizing a RIPB licensing approach, there is an opportunity to include the non-core sources of radioactivity within the RIPB framework for licensing decision-making, such as the categorization of events, classification of structures, systems, and components (SSCs), and evaluation of the adequacy of defense-in-depth (DID). For advanced reactor designs that contain multiple non-core sources of radioactivity, or for monolithic plant sites that include associated fuel facilities, this approach could potentially simplify licensing applications through the use of a single, uniform, and consistent decision-making framework across all radioactive sources at the site. In addition, a RIPB approach could provide additional insights regarding plant behavior, flexibility regarding licensing decision-making, and potentially allow the use of risk information as part of the plant oversight process. Risk-informing these aspects of advanced reactor licensing would also be consistent with the NRC’s risk policy statement. However, there is diverse regulation and guidance regarding the licensing of non-core sources of radioactivity and generally limited experience using RIPB approaches for the evaluation as part of licensing.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Editorial: Neuroscience, computing, performance, and benchmarks: Why it matters to neuroscience how fast we can compute

At the turn of the millennium the computational neuroscience community realized that neuroscience was in a software crisis: software development was no longer progressing as expected and reproducibility declined. The International Neuroinformatics Coordinating Facility (INCF) was inaugurated in 2007 as an initiative to improve this situation. The INCF has since pursued its mission to help the development of standards and best practices. In a community paper published this very same year, Brette et al. tried to assess the state of the field and to establish a scientific approach to simulation technology, addressing foundational topics, such as which simulation schemes are best suited for the types of models we see in neuroscience. In 2015, a Frontiers Research Topic “Python in neuroscience” by Muller et al. triggered and documented a revolution in the neuroscience community, namely in the usage of the scripting language Python as a common language for interfacing with simulation codes and connecting between applications. The review by Einevoll et al. documented that simulation tools have since further matured and become reliable research instruments used by many scientific groups for their respective questions. Open source and community standard simulators today allow research groups to focus on their scientific questions and leave the details of the computational work to the community of simulator developers. A parallel development has occurred, which has been barely visible in neuroscientific circles beyond the community of simulator developers: Supercomputers used for large and complex scientific calculations have increased their performance from ~10 TeraFLOPS (10 13 floating point operations per second) in the early 2000s to above 1 ExaFLOPS (10 18 floating point operations per second) in the year 2022. This represents a 100,000-fold increase in our computational capabilities, or almost 17 doublings of computational capability in 22 years. Moore's law (the observation that it is economically viable to double the number of transistors in an integrated circuit every other 18–24 months) explains a part of this; our ability and willingness to build and operate physically larger computers, explains another part. It should be clear, however, that such a technological advancement requires software adaptations and under the hood, simulators had to reinvent themselves and change substantially to embrace this technological opportunity. It actually is quite remarkable that—apart from the change in semantics for the parallelization—this has mostly happened without the users knowing. The current Research Topic was motivated by the wish to assemble an update on the state of neuroscientific software (mostly simulators) in 2022, to assess whether we can see more clearly which scientific questions can (or cannot) be asked due to our increased capability of simulation, and also to anticipate whether and for how long we can expect this increase of computational capabilities to continue.

biophysically detailed models↗
DOE OSTI2020

A Generalized Stress Inversion Approach With Application to Residual Stress Estimation

In this work develop a generalized stress inversion technique (or the generalized inversion method) capable of recovering stresses in linear elastic bodies subjected to arbitrary cuts. Specifically, given a set of displacement measurements found experimentally from digital image correlation (DIC), we formulate a stress estimation inverse problem as a partial differential equation-constrained optimization problem. We use gradient-based optimization methods, and we accordingly derive the necessary gradient and Hessian information in a matrix-free form to allow for parallel, large-scale operations. By using a combination of finite elements, DIC, and a matrix-free optimization framework, the generalized inversion method can be used on any arbitrary geometry, provided that the DIC camera can view a sufficient part of the surface. We present numerical simulations and experiments, and we demonstrate that the generalized inversion method can be applied to estimate residual stress.

42 ENGINEERING↗
DOE OSTI2020

The Minos Computing Library: Efficient Parallel Programming for Extremely Heterogeneous Systems

Hardware specialization has become the silver bullet to achieve efficient high performance, from Systems-on-Chip systems, where hardware specialization can be ``extreme'', to large-scale HPC systems. As the complexity of the systems increases, so does the complexity of programming such architectures in a portable way. This work introduces the Minos Computing Library (MCL), as system software, programming model, and programming model runtime that facilitate programming extremely heterogeneous systems. MCL supports the execution of several multi-threaded applications within the same compute node, performs asynchronous execution of application tasks, efficiently balances computation across hardware resources, and provides performance portability. We show that code developed on a personal desktop automatically scales up to fully utilize powerful workstations with 8 GPUs and down to power-efficient embedded systems. MCL provides up to 17.5x speedup over OpenCL on NVIDIA DGX-1 systems and up to 1.88x speedup on single-GPU systems. In multi-application workloads, MCL dynamically resource allocation provides up to 2.43x performance improvement over manual, static allocation of computing resources.

Gioiosa, Roberto↗
DOE OSTI2022

A massively parallel time-domain coupled electrodynamics–micromagnetics solver

We present a high-performance coupled electrodynamics–micromagnetics solver for full physical modeling of signals in microelectronic circuitry. The overall strategy couples a finite-difference time-domain approach for Maxwell’s equations to a magnetization model described by the Landau–Lifshitz–Gilbert equation. The algorithm is implemented in the Exascale Computing Project software framework, AMReX, which provides effective scalability on manycore and GPU-based supercomputing architectures. Furthermore, the code leverages ongoing developments of the Exascale Application Code, WarpX, which is primarily being developed for plasma wakefield accelerator modeling. Our temporal coupling scheme provides second-order accuracy in space and time by combining the integration steps for the magnetic field and magnetization into an iterative sub-step that includes a trapezoidal temporal discretization for the magnetization. The performance of the algorithm is demonstrated by the excellent scaling results on NERSC multicore and GPU systems, with a significant (59×) speedup on the GPU using a node-by-node comparison. We demonstrate the utility of our code by performing simulations of an electromagnetic waveguide and a magnetically tunable filter.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Intern Poster Session 08/13: Autonomous Nuclear Robotics: Applications in nuclear waste inspection and hot cell experiments

The nuclear industry is experiencing renewed interest in autonomous robotics, yet most deployed systems remain teleoperated with limited autonomy. This work presents two contributions toward fully autonomous nuclear robotic systems: autonomous waste inspection at the Hanford Site and an autonomous hot cell laboratory framework. Inspections of Hanford's underground waste storage tanks are performed manually at significant cost and personnel exposure. We developed a reinforcement-learning (RL) training pipeline for a custom-built inspection arm. In parallel, we are designing an autonomous laboratory framework for post-irradiation examination in hot cells at the Specimen Preparation Laboratory (SPL) that integrates computer vision, task and motion planning, hardware execution, and operator-in-the-loop control. These systems demonstrate a path toward safer, more efficient nuclear operations by reducing human exposure while maintaining rigorous human oversight at critical decision points.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Highly Efficient Cooperative Catalysis by Co III (Porphyrin) Pairs in Interpenetrating Metal-Organic Frameworks

A series of porous twofold interpenetrated In-Co III (porphyrin) metal–organic frameworks (MOFs) were constructed by in situ metalation of porphyrin bridging ligands and used as efficient cooperative catalysts for the hydration of terminal alkynes. The twofold interpenetrating structure brings adjacent Co III (porphyrins) in the two networks parallel to each other with a distance of about 8.8 Å, an ideal distance for the simultaneous activation of both substrates in alkyne hydration reactions. As a result, the In-Co III (porphyrin) MOFs exhibit much higher (up to 38 times) catalytic activity than either homogeneous catalysts or MOF controls with isolated Co III (porphyrin) centers, thus highlighting the potential application of MOFs in cooperative catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

POLARIS: Agent-based modeling framework development and implementation for integrated travel demand and network and operations simulations

Here, we discuss the development of an agent-based modelling software development kit, and the implementation and validation of a model using it that integrates dynamic simulation of travel demand, network supply and network operations. A description is given of the core utilities in the kit: a parallel discrete event engine, interprocess exchange engine, and memory allocator, as well as a number of ancillary utilities: visualization library, database IO library, and scenario manager. The overall framework emphasizes the design goals of: generality, code agility, and high performance. This framework allows the modeling of several aspects of transportation system that are typically done with separate stand-alone software applications, in a high-performance and extensible manner. The issue of integrating such models as dynamic traffic assignment and disaggregate demand models has been a long standing issue for transportation modelers. The integrated approach shows a possible way to resolve this difficulty. The simulation model built from the POLARIS framework is a single, shared-memory process for handling all aspects of the integrated urban simulation. The resulting gains in computational efficiency and performance allow planning models to be extended to include previously separate aspects of the urban system, enhancing the utility of such models from the planning perspective. Lastly, initial tests with case studies involving traffic management center impacts on various network events such as accidents, congestion and weather events, show the potential of the system.

42 ENGINEERING↗
DOE OSTI2024

Influence of Water Sorption on Ionic Conductivity in Polyether Electrolytes at Low Hydration

Ion-containing polymers are subject to a wide range of hydration conditions across electrochemical and water treatment applications. Significant work on dry polymer electrolytes for batteries and highly swollen membranes for water purification has informed our understanding of ion transport under extreme conditions. However, knowledge of intermediate conditions (i.e., low hydration) is essential to emerging applications (e.g., electrolyzers, fuel cells, and lithium extraction). Ion transport under low levels of hydration is distinct from the extreme conditions typically investigated, and the relevant physics cannot be extrapolated from existing knowledge, stifling materials design. In this study, we conducted ion transport measurements in LiTFSI-doped polyethers that were systematically hydrated from dry conditions. A semiautomated apparatus that performs parallel measurements of water uptake and ionic conductivity in thin-film polymers under controlled humidity was developed. For the materials and swelling range considered in this study (i.e., <0.07 g water/g dry polymer electrolyte), ionic conductivity depends nonlinearly on water uptake, with the initial sorbed water weakly affecting conductivity. With additional increases in swelling, more significant increases in conductivity were observed. Remarkably, changes in conductivity induced by water sorption were correlated with the number of water molecules per lithium ion, with the normalized molar conductivity of different samples effectively collapsing onto one another until this unit of hydration exceeded the solvation number of lithium ions under aqueous conditions. Furthermore, these results provide important knowledge regarding the effects of trace water contamination on conductivity measurements in polymer electrolytes and demonstrate that the lithium-ion solvation number marks a key transition point regarding the influence of water on ion transport in ion-containing polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The emergence of three-dimensional chiral domain walls in polar vortices

Abstract Chirality or handedness of a material can be used as an order parameter to uncover the emergent electronic properties for quantum information science. Conventionally, chirality is found in naturally occurring biomolecules and magnetic materials. Chirality can be engineered in a topological polar vortex ferroelectric/dielectric system via atomic-scale symmetry-breaking operations. We use four-dimensional scanning transmission electron microscopy (4D-STEM) to map out the topology-driven three-dimensional domain walls, where the handedness of two neighbor topological domains change or remain the same. The nature of the domain walls is governed by the interplay of the local perpendicular (lateral) and parallel (axial) polarization with respect to the tubular vortex structures. Unique symmetry-breaking operations and the finite nature of domain walls result in a triple point formation at the junction of chiral and achiral domain walls. The unconventional nature of the domain walls with triple point pairs may result in unique electrostatic and magnetic properties potentially useful for quantum sensing applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantum-parallel vectorized data encodings and computations on trapped-ion and transmon QPUs

Compact data representations in quantum systems are crucial for the development of quantum algorithms for data analysis. In this study, we present two innovative data encoding techniques, known as QCrank and QBArt, which exhibit significant quantum parallelism via uniformly controlled rotation gates. The QCrank method encodes a series of real-valued data as rotations on data qubits, resulting in increased storage capacity. On the other hand, QBArt directly incorporates a binary representation of the data within the computational basis, requiring fewer quantum measurements and enabling well-established arithmetic operations on binary data. We showcase various applications of the proposed encoding methods for various data types. Notably, we demonstrate quantum algorithms for tasks such as DNA pattern matching, Hamming weight computation, complex value conjugation, and the retrieval of a binary image with 384 pixels, all executed on the Quantinuum trapped-ion QPU. Furthermore, we employ several cloud-accessible QPUs, including those from IBMQ and IonQ, to conduct supplementary benchmarking experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Magnetocardiography with a 16-channel fiber-coupled single-cell Rb optically pumped magnetometer

We have constructed a low-cost, portable, high-sensitivity 16-channel optically pumped magnetometer (OPM), operating in the spin-exchange relaxation-free regime, and demonstrated its applications in magnetocardiography (MCG). The decrease in the cost of sensors by an order of magnitude is achieved by the 16-channel operation realized in a single module using a single large flat pancake rubidium vapor cell, broad pump and probe laser beams, and a 16-channel photodiode array. The OPM is also based on a fiber-coupled nearly parallel-beam configuration to facilitate multichannel design and make the system portable. For human MCG experiments, the 16-channel OPM which includes optical components is placed inside a wooden enclosure for laser safety. The enclosure is set on a nonmagnetic table inside a magnetically shielded room, while the lasers and electronics are placed outside the shielding room, to avoid magnetic noise. We show that the 16-channel OPM enables simultaneous imaging of human cardiac activity on a large area of the chest in a single scan. The multichannel capability will accelerate clinical MCG imaging to reduce the procedure time and patient fatigue.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Synchronization-Avoiding Graph Algorithms

Because they were developed for optimal sequential complexity, classical graph algorithms as found in textbooks have strictly-defined orders of operations. Enforcing a prescribed order of operations, or even an approximate order, in a distributed memory setting requires significant amounts of synchronization, which in turn can severely limit scalability. As a result, new algorithms are typically required to achieve scalable performance, even for solving well-known graph problems. Yet, even in these cases, parallel graph algorithms are written according to parallel programming models that evolved for, e.g., scientific computing, and that still have inherent, and scalability-limiting, amounts of synchronization. In this paper we present a new approach to parallel graph algorithms: synchronization-avoiding algorithms. To eliminate synchronization and its associated overhead, synchronization-avoiding algorithms perform work in an unordered and fully asynchronous fashion in such a way that the result is constantly refined toward its final state. “Wasted” work is minimized by locally prioritizing tasks using problem-dependent task utility metrics. We classify algorithms for graph applications into two broad categories: algorithms with monotonic updates (which evince global synchronization) and algorithms with nonmonotonic updates (which evince vertex-centric synchronization). We apply our approach to both classes and develop novel, synchronization-avoiding algorithms for solving exemplar problems: SSSP and connected components for the former, graph coloring for the latter. We demonstrate that eliminating synchronization in conjunction with effective scheduling policies and optimizations in the runtime results in improved scalability for both classes of algorithms.

Firoz, Jesun S.↗
DOE OSTI2022

Assessment methods for determining small changes in hearing performance over time

Although the behavioral pure-tone threshold audiogram is considered the gold standard for quantifying hearing loss, assessment of speech understanding, especially in noise, is more relevant to quality of life but is only partly related to the audiogram. Metrics of speech understanding in noise are therefore an attractive target for assessing hearing over time. However, speech-in-noise assessments have more potential sources of variability than pure-tone threshold measures, making it a challenge to obtain results reliable enough to detect small changes in performance. Here, this review examines the benefits and limitations of speech-understanding metrics and their application to longitudinal hearing assessment, and identifies potential sources of variability, including learning effects, differences in item difficulty, and between- and within-individual variations in effort and motivation. We conclude by recommending the integration of non-speech auditory tests, which provide information about aspects of auditory health that have reduced variability and fewer central influences than speech tests, in parallel with the traditional audiogram and speech-based assessments.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

A Well-Posed Two Phase Flow Model and its Numerical Solutions for Reactor Thermal-Fluids Analysis

A 7-equation two-phase flow model and its numerical implementation is presented for reactor thermal-fluids applications. The equation system is well-posed and treats both phases as compressible flows. The numerical discretization of the equation system is based on the finite element formalism. The numerical algorithm is implemented in the next generation RELAP-7 code (Idaho National Laboratory (INL)’s thermal-fluids code) built on top of an other INL’s product, the massively parallel multi-implicit multi-physics object oriented code environment (MOOSE). Some preliminary thermal-fluids computations are presented.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

NEET Enhanced Micro-Pocket Fission Detector for High Temperature Reactors - FY16 Status Report

A collaboration between the Idaho National Laboratory (INL), the Kansas State University (KSU), and the French Atomic Energy Agency, Commissariat à l'Énergie Atomique et aux Energies Alternatives, (CEA), has been initiated by the Nuclear Energy Enabling Technologies (NEET) Advanced Sensors and Instrumentation (ASI) program for developing and testing High Temperature Micro-Pocket Fission Detectors (HT MPFD), which are compact fission chambers capable of simultaneously measuring thermal neutron flux, fast neutron flux and temperature within a single package for temperatures up to 800 °C. The MPFD technology utilizes a small, multi-purpose, robust, in-core fission chambers and thermocouple. As discussed within this report, the small size, variable sensitivity, and increased accuracy of the MPFD technology represent a revolutionary improvement over current methods used to support irradiations in US Material Test Reactors (MTRs). Previous research conducted through NEET ASI1-3 has shown that the MPFD technology could be made robust and was successfully tested in a reactor core. This new project will further the MPFD technology for higher temperature regimes and other reactor applications by developing a HT MPFD suitable for temperatures up to 800 °C. This report summarizes the research progress for year two of this three year project. Highlights from research accomplishments include: • Continuation of a joint collaboration between INL, KSU, and CEA. Note that CEA is participating at their own expense because of interest in this unique new sensor. • An updated parallel wire HT MPFD design was developed. • Program support for HT MPFD deployments was given to Accident Tolerant Fuels (ATF) and Advanced Gas-cooled Reactor (AGR) irradiation test programs. • Quality approved materials for HT MPFD construction were procured by irradiation test programs for upcoming deployments. • KSU improved and performed electrical contact and fissile material plating. • KSU delivered fissile HT MPFD parts to INL for final construction of HT MPFD prototype. • A prototype HT MPFD was constructed and analyzed at INL. • The HT MPFD has been modeled in MCNP to optimize the amount of fissile material deposition. • The HT MPFD has been modeled in MCNP to optimize the sensor location in the irradiation test. • The fissile material deposition is undergoing independent verifications. • Detector amplifier electronics have been revised and tested by KSU. • Several project meetings were held at INL and KSU to discuss the roles and responsibilities between INL, KSU, and CEA for development and deployment of the HT MPFDs. As documented in this report, FY16 funding has allowed the project to meet year two planned accomplishments to develop a HT MPFD. In addition, the accomplishments of this project have attracted independent funding from other Department of Energy Office of Nuclear Energy (DOE-NE) programs for MTR irradiations of the MPFD technology. These are significant opportunities for this NEET Enhanced Micro-Pocket Fission Detector for High Temperature Reactors project because the irradiation expense of these experiments could not be included in the original project scope.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

HFIRCON Version 1.0.5 User Guide

The High Flux Isotope Reactor (HFIR) Controller (HFIRCON) code is a collection of python routines and C plugins that automate the workflow for fuel and single- or multicycle target depletion analyses for HFIR at Oak Ridge National Laboratory (ORNL). This code calls the LAVAMINT (LAVA Model Interrogator) parallel (MCNP) Monte Carlo N-Particle model interrogator to stochastically calculate cell volumes and bounding boxes, the ADVANTG (Automatic Variance Reduction Generation) code package for all variance reduction and source biasing calculations, the ORNL-Transformative Neutronics/MCNP5 transport solver for all transport solutions, and the MSX_DEPLETE module to perform all depletion calculations via the ORIGEN (Oak Ridge Isotope Generation) application programming interface. It also performs a robust set of postprocessing functions to automatically provide summaries of several key metrics that are common to a wide variety of typical HFIR design and safety-basis analyses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗