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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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At least 109 records · Page 6

tapir: A tool for topologies, amplitudes, partial fraction decomposition and input for reductions

The demand for precision predictions in the field of high energy physics has dramatically increased over recent years. Experiments conducted at the LHC, as well as precision measurements at the intensity frontier such as Belle II require equally precise theoretical predictions to make full use of the acquired data. To match the experimental precision, second-, third- and, for certain quantities, even higher-order calculations in perturbative quantum field theory are required. To facilitate such calculations, computer software automating as many steps as possible is required. Yet, each calculation poses different challenges and thus, a high level of configurability is required. In this context we present tapir: a tool for identification, manipulation and minimization of Feynman integral families. It is designed to integrate in toolchains based on the computer algebra system FORM, the use of which is common practice in the field. tapir can be used to reduce the complexity of multi-loop problems with cut-filters, topology mapping, partial fraction decomposition and alike. Program Title:tapir CPC Library link to program files:https://doi.org/10.17632/ptc9t46xyn.1 Developer's repository link:https://gitlab.com/tapir-devs/tapir Licensing provisions: GPLv3 Programming language:python 3, C++ Nature of problem: Multi-loop computations require the automatization of a large number of different tasks related to Feynman integral topologies. Among them are the identification and minimization of integral topologies, partial fraction decomposition of topologies in the case of linearly dependent propagators as well as mapping scalar products of loop momenta to scalar functions. Solution method: The minimization of topologies is performed by comparison of their respective Nickel indices [1], even further minimization utilizes Pak's algorithm [2]. To efficiently map scalar products of loop momenta to scalar functions FORM [3] code is generated. Additional comments including restrictions and unusual features: Minimization based on Pak's algorithm slows down for many lines and scales. A coarser minimization using the Nickel indices, however, is still possible. [1]B. Nickel, D. Meiron, G.A.J. Baker, Compilation of 2-pt and 4-pt graphs for continuous spin model, Report, University of Guelph, 1977.[2]A. Pak, J. Phys. Conf. Ser. 368 (2012) 012049, https://doi.org/10.1088/1742-6596/368/1/012049, arXiv:1111.0868.[3]B. Ruijl, T. Ueda, J. Vermaseren, FORM version 4.2, arXiv:1707.06453, 7 2017.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Sensitivity-based Similarity Metrics for New Experiment Design Optimization

The nuclear data used in advanced reactor simulations requires validation. Data from nuclear criticality experiments can provide this validation. New nuclear criticality experiment design requires extensive knowledge and expert judgement such that the experimental design parameters are selected in such a way to keep the experiment subcritical. To aide in this experimental design process, professionals can utilize sensitivity and uncertainty analysis. Sensitivity and uncertainty analysis relies on matching new application experiments with currently existing benchmark experiments. Currently, there is functionality in the Whisper 1.1 software package to calculate a similarity metric based on neutron multiplication factor sensitivity coefficients between a new application designed by the user and existing International Criticality Safety Benchmark Experiment Project (ICSBEP) benchmarks. The Whisper 1.1 software package is included in Monte Carlo N-Particle ® Code Version 6.21 (MCNP ® 6.2). This work is geared toward expanding this capability to new similarity metrics based on beta-effective sensitivity coefficients and reactivity coefficient sensitivity coefficients. While the investigation of these sensitivity coefficients is presented in detail in separate works at this same conference, this work will be primarily focused on studying the similarity metrics in more detail. These similarity metrics will then be incorporated into the optimization algorithms used for experiment design in EUCLID (Experiments Underpinned by Computational Learning for Improvements in nuclear Data), which is a Los Alamos National Laboratory (LANL) project designed to constrain nuclear data of interest, such that adjustments can be made to possible inaccuracies. A more detailed optimization can be subsequently performed by breaking down these similarity metrics by isotope, reaction, and energy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Livermore Computing Integrates Advanced Cognitive Simulation Resource

With the integration of the first production Cerebras CS-1 system into Lassen, Livermore Computing (LC) is preparing the way for advanced cognitive simulation (CogSim) capabilities integrated into leadership HPC systems to support Artificial Intelligence (AI) driven computational needs of the Stockpile Stewardship Program.

97 MATHEMATICS AND COMPUTING↗

EUCLID: Experiments Underpinned by Computational Learning for Improvements in Nuclear Data [Slides]

EUCLID will design validation experiments optimized to resolve compensating errors and adjust nuclear data to experiments. A big part of the success of the EUCLID proposal was due to previous work supported by NCSP (MCNP, nuclear data, and NCERC capabilities). The work performed under EUCLID will similarly benefit the NCSP mission. It will lead to new MCNP capabilities, improved nuclear data and nuclear data capabilities, and new methodology and tools that will have large impact on future NCERC experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Revolutionizing Neuromorphic Computing for Science (Brochure on the 2024 ASCR Workshop on Neuromorphic Computing for Science)

The ASCR basic research needs for Neuromorphic Computing for Science workshop was held in September 2024. The workshop brochure and report aim to inform and draft a set of grand challenges for advancing the field of neuromorphic computing and developing proof of principle neuromorphic circuits applicable for High Performance Computer (HPC) acceleration for scientific discovery, and brainstorm ideas needed for a successful, robust, and world leading basic research program. The resulting priority research directions are: (1) Neuromorphic computing circuit primitives; (2) Connectivity, communication, and hardware integration; (3) Neuroscience-derived dynamics and algorithms; and (4) Ecosystem for scalable neuromorphic co-design. Breakthroughs in understanding, designing, and prototyping the circuitry and simulation capabilities for a truly neuromorphic computer are essential to enable progress in the field.

97 MATHEMATICS AND COMPUTING↗

Revolutionizing Neuromorphic Computing for Science (Report for the 2024 ASCR Workshop on Neuromorphic Computing for Science)

The ASCR basic research needs for Neuromorphic Computing for Science workshop was held in September 2024. The workshop brochure and report aim to inform and draft a set of grand challenges for advancing the field of neuromorphic computing and developing proof of principle neuromorphic circuits applicable for High Performance Computer (HPC) acceleration for scientific discovery, and brainstorm ideas needed for a successful, robust, and world leading basic research program. The resulting priority research directions are: (1) Neuromorphic computing circuit primitives; (2) Connectivity, communication, and hardware integration; (3) Neuroscience-derived dynamics and algorithms; and (4) Ecosystem for scalable neuromorphic co-design. Breakthroughs in understanding, designing, and prototyping the circuitry and simulation capabilities for a truly neuromorphic computer are essential to enable progress in the field.

97 MATHEMATICS AND COMPUTING↗

IMPACT 2025-2026 Internship Poster

At Sandia National Laboratories, I developed a C++ program that converts printed circuit boards(PCB) and integrated circuits(IC) design files to be compatible for computed tomography (CT) simulations through Monte Carlo methods.

97 MATHEMATICS AND COMPUTING↗

Reactivity Coefficient Measurements to Aid in Reducing Compensating Errors in Plutonium Nuclear Data

Compensating errors between several nuclear data observables in a nuclear data library can adversely impact application simulations. The primary goal of the EUCLID project (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) is to reduce compensating errors between fast (0.1–5 MeV) 239Pu nuclear data for prompt fission neutron spectra (PFNS), average prompt fission neutron multiplicities, and neutron induced fission, capture, elastic, and inelastic cross sections. This work will focus on the design and execution of void reactivity coefficient measurements in the EUCLID experiment, performed on the Planet vertical lift critical assembly machine at the National Criticality Experiments Research Center (NCERC). Two different base configurations were designed and measured, one with high neutron leakage, and one with low neutron leakage. Both were primarily made up of plutonium metal (Zero Power Physics Reactor plates) without interstitial moderators and reflected by half-inch aluminum. Design optimization showed that void reactivity coefficient measurements in three locations per configuration was most impactful to reduce nuclear data uncertainties due to the varying impacts from elastic and inelastic scattering, as well as fission and capture. The locations for measurements were chosen based on preliminary studies which balanced measurement uncertainty and measurement practicality. The measurements were also selected to have sensitivities maximally complementary to previous arrangements. Comparisons across nuclear data libraries highlight the potential impact.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The EUCLID Experiment and Nuclear Data Library Comparisons

The EUCLID (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) project at Los Alamos National Laboratory (LANL) was a Laboratory Directed Research and Development project which aimed to reduce compensating errors in nuclear data. One major component of the project was a series of critical experiments, both measuring k eff and various other observables with the goal of using these experiments to constrain 239 Pu nuclear data uncertainties and identify compensating errors. This paper details some of the experiment design and how various nuclear data libraries simulate the EUCLID system, including sensitivities compared to Jezebel.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Analysis of NCERC Critical Experiments with ENDF/B Nuclear Data Libraries

Nuclear data (ND) libraries are the backbone of the nuclear industry, as they are the collections of tabulated probabilities that define sub-atomic particle interactions with matter. In the areas of criticality safety and experiments, no evaluated nuclear data files (ENDF) are more important than those containing neutron cross section data. It is upon these files, and accompanying radiation transport codes, that practitioners are enabled to safely design both subcritical and critical systems. Likewise, in a symbiotic fashion, it is the same critical assemblies which are used primarily to validate that the cross sections are correct. The ENDF/B library, the United States’ national library maintained by the National Nuclear Data Center (NNDC) at Brookhaven National Laboratory (BNL), is soon releasing a new version, ENDF/B-VIII.1. Prior to the official release, several beta versions of the library were prepared and tested in simulation suites. The work presented here are results comparing the newest ENDF/B beta release (ENDF/B-VIII.1b3) and ENDF/B-VIII.0 with recent experiments done at the National Criticality Experiments Research Center (NCERC) as well as correlated experiments from the Los Alamos Critical Experiments Facility (LACEF). These NCERC and LACEF experiments were performed in part to provide validation for various cross sections that were identified as insufficient in the ENDF/B-VIII.0. In particular, lead, copper, fluorine, and chlorine, as well as the major actinides, were targeted from the last decade of critical experiments.

97 MATHEMATICS AND COMPUTING↗

Y-12 Groundwater Protection Program Data Management Plan

This Data Management Plan (DMP) describes the processes in place to ensure the integrity of groundwater monitoring information collected by the U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA), Y-12 National Security Complex (Y-12), Groundwater Protection Program (GWPP). This information includes program plans, reports, and computer systems used to capture monitoring station information and analytical data. The primary computer system used by the GWPP is the Groundwater Information Management System (GIMS). Procedures used to ensure the integrity of the data are included in this document by reference.

54 ENVIRONMENTAL SCIENCES↗

A Task Based Approach for Co-Scheduling Ensemble Workloads on Heterogeneous Nodes

Scientific workflows consist of multiple, connected applications, with data and results flowing from one to another in a pipeline. Traditionally, such workflows are executed in sequential order, storing intermediate data in storage disks. Co-scheduling application workflows concurrently on the same compute nodes would greatly reduce the cost of moving data to/from storage and allow real-time analysis of intermediate results. Nevertheless, most parallel programming runtimes do not allow seamless integration of various applications in a scientific workflow, in part due to the complexity of managing data and resources. The situation is even more complicated for heterogeneous systems. In this work we extend the Minos Computing Library (MCL) runtime to accelerate pipe-lined and parallel workloads where multiple applications are running in the same system. MCL’s asynchronous task library and runtime dynamically manages resources to allow co-scheduling of multiple processes sharing heterogeneous resources. In addition, we design a custom ex- tension of the Open Compute Language (OpenCL) to enable multiple processes to share device memory. We enable MCL to coordinate these shared buffers to allow for easy, fast data sharing between applications. Using malleable micro-benchmarks and two application workflows that combine scientific simulation and AI-based analysis, we show that our method outperforms traditional approaches.

Index Terms—Parallel systems, Scheduling and Task ↗

Pseudospectral convex optimization for on-ramp merging control of connected vehicles

It can be a daunting task for human drivers to merge into highways because of the intricate vehicle negotiations and potential risk within limited time and space. Connected vehicle (CV) technologies could be a solution to this problem and offer many benefits to the road safety, traffic mobility, and energy efficiency. However, real-time optimal control of CVs is still an open challenge, due to the nonlinear vehicle dynamics, non-convex fuel consumption model, and highly dynamic uncertain inter-vehicle interactions. To tackle these issues, a novel real-time optimal control approach that balances the computational efficiency and solution optimality is proposed for the purpose of onboard application. To this end, the pseudospectral collocation method is integrated with a sequential convex programming approach to develop two new optimization algorithms, which are implemented within a model predictive control (MPC) framework to allow for real-time generation of optimal merging speed profiles. One algorithm leverages the line search technique to improve convergence, and the other benefits from the trust region method for better computational efficiency. The optimality and convergence process of both proposed algorithms are investigated by comparing their solutions with a popular non-linear solver. Furthermore, simulation results show that the proposed methods outperform the benchmark in terms of computational cost, fuel consumption, and traffic efficiency. In particular, the proposed fuel-economy merging rule can save 57.1% fuel consumption on average on four different traffic volumes. Meanwhile, the proposed optimal control algorithms can reduce 2.2% travel time on average comparing to the “first-in-first-out” merging rule.

33 ADVANCED PROPULSION SYSTEMS↗

Virtual Engineering Software Framework for Integrated Biomass Conversion Modeling

This presentation covers the design and implementation of a software tool to systematically connect computational models of unit operations to simulate an integrated process of low-temperature conversion of biomass to fuel. This virtual engineering (VE) software was designed with the overarching goal of connecting unit models written in various programming languages and requiring different computational resources within a single, flexible framework. The models and features currently considered for the VE library include mechanistic models for pretreatment, enzymatic hydrolysis, and aerobic bioreaction; high-fidelity computational fluid dynamics (CFD) simulations for enzymatic hydrolysis and aerobic bioreaction; and the capability to perform techno-economic analyses (TEA) using Aspen Plus, a commercial software package. The CFD models require access to high-performance computing (HPC) resources, so in addition to handling multiple programming languages and interfaces, the VE software must also be capable of interacting with an HPC scheduler to submit, run, and post-process jobs. Using the Python programming language, a new VE software package has been developed that contains functionality to manage the input-output communication between various unit models, schedule simulations to run on NREL's HPC and analyze those results, and interface with existing TEA software workflows. A Jupyter-notebook GUI was also created to solicit user input and provide documentation. In cases where multiple models for a particular unit-operation exist, selection between models is accomplished through a simple checkbox, with the appropriate inputs and outputs being parsed and converted seamlessly in the background. Each operation makes use of a different programming language, but the flow of information from pretreatment to enzymatic hydrolysis to bioreaction is managed with an intuitive, centralized file-communication strategy. In this talk, the programming approach and implementation details of the notebook are presented for multiple possibilities of the conversion process, including a demonstration of the ability to manage HPC resources. Additionally, an example of a sensitivity study of treatment parameters governing the overall conversion outcome is shown which highlights the ease of defining new problems using the VE Notebook workflow and leads into a discussion of ongoing work to enable outer-loop optimization studies.

biofuel↗

Computationally Efficient Control Co-Design Optimization Framework with Mixed-Fidelity Fluid and Structure Analysis: OpenTurbineCoDe (OTCD) - ARPA-E ATLANTIS Phase I Project (Final Technical Report)

The goal of the Department of Energy (DOE) Advanced Research Projects Agency-Energy (ARPA-E) Aerodynamic Turbines Lighter and Afloat with Nautical Technologies and Integrated Servo-control (ATLANTIS) Program is to develop new technologies for floating offshore wind turbines, or wind farms, using the discipline of control co-design (CCD.) In this context, our goal is to develop a computationally efficient optimization framework for design of floating offshore wind turbines. Our specific aim is to utilize high-fidelity structural, aerodynamic, aero-structural tools, and to derive control-oriented reduced- or low-order models directly from the high-fidelity tools. We proposed a mixed-fidelity modeling approach which means that we are also using low- and mid-fidelity tools when necessary. This research is conducted by a multidisciplinary team consisting of Rutgers University, University of Michigan, Brigham Young University, and the National Renewable Energy Laboratory (NREL). The computational framework, called OpenTurbineCoDe, is designed to integrate, where possible, traditional structural, aerodynamic, aeroelastic models (e.g., OpenFAST) and advanced control algorithms with higher fidelity simulation tools including Reynolds-averaged Navier–Stokes (RANS) solvers, and three-dimensional structural finite element solvers. All the high-fidelity tools used in this research provide numerically exact gradients to facilitate both efficient optimization and local linearization for control implementation.

17 WIND ENERGY↗

Using Prompt Neutron Decay Constant Measurements to Obtain Additional Kinetics Information

Prompt neutron decay constant measurements are typically used to infer the prompt neutron lifetime in a chain-reacting system, but these measurements include much more information about the kinetics of the system. This work focuses specifically on the Rossi-α method of measuring the prompt neutron decay constant. The Rossi-α system of equations consists of five unknown parameters. With five unknowns and three equations, the system of equations solved by the Rossi-α measurement is under-determined. It has been postulated that a well posed problem can be formulated using independent measurement configurations on a single system. The external source strength, the effective delayed neutron fractions, and Diven’s parameter do not typically change for different configurations of a single experiment. If good detector geometry is chosen, the detector efficiency does not change for multiple measurements of a single experiment using Rossi-α measurements. By making these assumptions, there are only two unique variables. This knowledge can be used to solve for most of the unique parameters using two independent, unique Rossi-α measurements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Salt Hydrate Eutectic Thermal Energy Storage for Building Thermal Regulation (Final Technical Report)

Thermal energy storage is anticipated to play an important role in developing the power grid of the future - a power grid that meets increasing demands of users, is resistant to disruptions, but also allows for greater penetration of renewable resources. Specifically, thermal energy storage materials can be integrated into HVAC systems and building envelopes, where they can be used to shift power demands for building climate control from periods of peak demand to periods of low demand. Phase change materials (PCMs) are compelling as low-cost, high energy density thermal energy storage materials for building thermal management. However, there is a lack of high performance low-cost PCMs within the specific temperature ranges which would most effectively allow for power load shifting. Inorganic salt hydrates represent a promising class of PCMs, but their inherent limitations cause them to be currently unavailable for reliable building applications. The overarching goals of this research effort are to: 1) Discover low-cost, high volumetric density salt hydrate eutectic PCMs to store low-quality heat (10 to 40 °C); 2) Introduce a high thermal conductivity matrix to reduce the time constant for energy storage to ~0.1 to 1 hr, incorporate nucleation catalysts to decrease undercooling, and utilize microencapsulation and shape stabilization approaches, minimizing moisture loss/gain, mitigating phase separation, and maintaining stable melting behavior over the lifetime of the compounds; 3) Evaluate the impact these systems have on peak load shifting, and the potential for overall energy savings under different climatic scenarios and building configurations. These goals will be achieved by an integrated research program consisting of six cohesive research subtasks: 1) Materials discovery of eutectic salt hydrate PCMs by using computationally predicted thermodynamic equilibria, coupled with high-throughput experimental validation, 2) Rapid experimental screening of nucleation catalysts identified through robust computational databases, 3) Embedding salt hydrate PCM into a low cost and scalable high conductivity matrix, 4) Microencapsulation of salt hydrate microspheres using hybrid inorganic-polymer microencapsulation approach, 5) Shape stabilization by thermoreversible salt hydrate salogels, and 6) Analysis of end-use using thermal simulations, and characterization of mock-up energy storage finished components.

25 ENERGY STORAGE↗