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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 667 records · Page 37

Accelerated kinetic model for global macro stability studies of high-beta fusion reactors

The field reversed configuration (FRC), such as studied in the C-2W experiment at TAE Technologies, is an attractive candidate for realizing a nuclear fusion reactor. In an FRC, kinetic ion effects play the majority role in macroscopic stability, which allows global stability studies to make use of fluid-kinetic hybrid (also referred to as Ohm's law) models wherein ions are treated kinetically while electrons are treated as a fluid. The development and validation of such a hybrid particle-in-cell algorithm in the Exascale Computing Project code WarpX are reported here. Implementation of this model in the WarpX framework benefits from the numerical efficiency of WarpX as well as its scalability on large HPC systems and portability to different architectures. Performance benchmarks of the new algorithm for large, 3-dimensional, full device simulations from the Perlmutter supercomputer are presented. Results of a series of FRC simulations are discussed in which the impact of two-fluid effects on the tilt-mode growth rate was studied. It was observed that, in agreement with previous Hall-MHD studies, two-fluid effects have a stabilizing impact on the tilt mode.

Physics↗

Quantum Reinforcement Learning for Volt-VAR Control in Power Distribution Systems

Volt-VAR control (VVC) is crucial in active distribution networks for optimizing voltage profiles and minimizing network losses. While traditional deep reinforcement learning (DRL) algorithms exhibit promise for VVC, they often require extensive computational resources to handle such a high-dimensional problem. As a potential solution, quantum reinforcement learning (QRL) algorithms integrate the computational capabilities of quantum computing into the DRL framework. However, existing QRL algorithms struggle with complex VVC problems due to the limitations of current quantum hardware. To bridge this gap, this paper proposes an innovative QRL algorithm featuring an end-to-end architecture that integrates a classical autoencoder, variational quantum circuits (VQCs), and classical post-processing layers. This design efficiently compresses high-dimensional grid states, enabling VQCs to leverage quantum advantages while producing multiple control device outputs tailored for VVC tasks. Numerical studies on three representative distribution systems verify the effectiveness and scalability of the proposed QRL algorithm, and demonstrate its enhanced performance over classical approaches with only approximately 1% of the parameters. Additionally, the robustness of our developed algorithm is validated through noisy quantum environments.

97 MATHEMATICS AND COMPUTING↗

Image Gradient Decomposition for Parallel and Memory-Efficient Ptychographic Reconstruction

Ptychography is a popular microscopic imaging modality for many scientific discoveries and sets the record for highest image resolution. Unfortunately, the high image resolution for ptychographic reconstruction requires significant amount of memory and computations, forcing many applications to compromise their image resolution in exchange for a smaller memory footprint and a shorter reconstruction time. In this paper, we propose a novel image gradient decomposition method that significantly reduces the memory footprint for ptychographic reconstruction by tessellating image gradients and diffraction measurements into tiles. In addition, we propose a parallel image gradient decomposition method that enables asynchronous point-to-point communications and parallel pipelining with minimal overhead on a large number of GPUs. Our experiments on a Titanate material dataset (PbTiO3) with 16632 probe locations show that our Gradient Decomposition algorithm reduces memory footprint by 51 times. In addition, it achieves time-to-solution within 2.2 minutes by scaling to 4158 GPUs with a super-linear strong scaling efficiency at 364% compared to runtimes at 6 GPUs. This performance is 2.7 times more memory efficient, 9 times more scalable and 86 times faster than the state-of-the-art algorithm.

Wang, Xiao↗

Joint Genome Institute Analysis Workflow Service (JAWS) v2.7

The U.S. Department of Energy Joint Genome Institute (JGI) has developed the JGI Analysis Workflow Service (JAWS) as a distributed framework to run computational workflows across diverse high-performance computing (HPC) and cloud environments. JAWS enhances the reusability, scalability, and robustness of scientific workflows by orchestrating data movement, code execution, and results retrieval across multiple DOE facilities. At its core, JAWS integrates the Cromwell workflow engine to run workflows expressed in the Workflow Description Language (WDL), ensuring portability and interoperability. To provide consistent runtime environments, JAWS employs container technologies such as Shifter, Apptainer, and Docker. Workflow tasks are managed via HTCondor on HPC backends, while Globus ensures secure and efficient data transfer between sites. JAWS is deployed as a multi-site workflow manager across national laboratory computing facilities, with dedicated instances supporting community projects such as the National Microbiome Data Collaborative (NMDC) and KBase. This distributed, service-oriented architecture enables users to "write once, run anywhere," providing scalable, production-quality workflow execution.

Kirton, Edward↗

PUMA:POWDER UTILIZATION MODELING APPLICATION

SF-25-084 PUMA a high performance modeling framework to simulate powder processing. It provides a scalable tool for manufacturers to simulate powder pre- and post-processing. The tool can predict the distortion, residual stress, and (for reactive processes) reaction completion fraction of complex parts after curing/debinding, sintering, and infiltration processes. These predictions are key metrics industry uses to optimize these processes to produce dense, defect-free, stable components.

HU, TIANCHEN (GARY)↗

Toward Resilient Heterogeneous Computing Workflow through Kokkos-DataSpaces Integration

With the growing number of applications designed for heterogeneous HPC devices, application programmers and users are finding it challenging to compose scalable workflows as ensembles of these applications, that are portable, performant and resilient. The Kokkos C++ library has been designed to simplify this cumbersome procedure by providing an intra-application uniform programming model and portable performance. However, assembling multiple Kokkos-enabled applications into a complex workflow is still a challenge. Although Kokkos enables a uniform programming model, the inter-application data exchange still remains a challenge from both performance and software development cost perspectives. In order to address this issue, we propose a Kokkos-DataSpaces Integration, with the goal of providing a virtual shared-space abstraction that can be accessed concurrently by all applications in an Kokkos workflow, thus extending Kokkos to support inter-application data exchange.

97 MATHEMATICS AND COMPUTING↗

Progress Report for W911NF-23-1-0323: Development of Scalable Three-Dimensional Ion Traps for Quantum Information Processing

Trapped atomic ions are a promising platform for scalable quantum information processing. They lead in many key metrics such as single and two qubit gate fidelities, as well as quantum volume. We recently realized novel 3D ion traps with a high resolution 3D-printing process. The traps combine the scalability potential of surface chip traps with the superior trap performance of macroscopic 3D ion traps. Like photolithography, 3D-printing is a digitally defined process and hence allows for rapid iteration between design and fabrication. In contrast to photolithography, it also allows for fully defined 3D structures and, thus, is an ideal process to develop large, well-defined trap arrays with complex 3D electrode structures. Our current goal is to implement key procedures and perform critical measurements that justify incorporation of 3D-printed traps into large-scale quantum computing efforts. En route, we recently realized trapping in horizontal traps that are operating at cryogenic temperatures.

74 ATOMIC AND MOLECULAR PHYSICS↗

AssessCCUS: An Integrated Approach for Aggregating Resources to Enable Techno-Economic and Life Cycle Assessment of Carbon Management Technologies

Carbon capture, utilization, and storage (CCUS) - also sometimes known as carbon management - technologies are becoming an increasingly important part of the portfolio of technologies necessary to mitigate climate change and defossilize industrial production systems (Sick, 2021). These technologies capture carbon dioxide from industrial point sources or from the atmosphere directly and then either sequester it or use it as a carbon source in valuable products. Potential utilization pathways include, but are not limited to, concrete, fuels, and certain commodity chemicals, and sequestration pathways can include permanent geological storage or temporary storage in natural sinks ranging from forests to agricultural soil. Regardless of the pathway, assessment of the economic and environmental performance of the technologies is important for understanding their potential scalability and impact as well as developing plans to minimize life cycle costs and potential environmental trade-offs. A full discussion of potential trade-offs associated with CCUS is outside the scope of this article, but promoting assessment broadly helps to stimulate important conversations about the benefits and drawbacks of any particular technological choice.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Modeling and Performance Considerations for Automated Fault Isolation in Complex Systems

The purpose of this paper is to document the modeling considerations and performance metrics that were examined in the development of a large-scale Fault Detection, Isolation and Recovery (FDIR) system. The FDIR system is envisioned to perform health management functions for both a launch vehicle and the ground systems that support the vehicle during checkout and launch countdown by using suite of complimentary software tools that alert operators to anomalies and failures in real-time. The FDIR team members developed a set of operational requirements for the models that would be used for fault isolation and worked closely with the vendor of the software tools selected for fault isolation to ensure that the software was able to meet the requirements. Once the requirements were established, example models of sufficient complexity were used to test the performance of the software. The results of the performance testing demonstrated the need for enhancements to the software in order to meet the demands of the full-scale ground and vehicle FDIR system. The paper highlights the importance of the development of operational requirements and preliminary performance testing as a strategy for identifying deficiencies in highly scalable systems and rectifying those deficiencies before they imperil the success of the project

Ferrell, Bob↗

End-to-End Assessment of a Large Aperture Segmented Ultraviolet Optical Infrared (UVOIR) Telescope Architecture

Key challenges of a future large aperture, segmented Ultraviolet Optical Infrared (UVOIR) Telescope capable of performing a spectroscopic survey of hundreds of Exoplanets will be sufficient stability to achieve 10^-10 contrast measurements and sufficient throughput and sensitivity for high yield Exo-Earth spectroscopic detection. Our team has collectively assessed an optimized end to end architecture including a high throughput coronagraph capable of working with a segmented telescope, a cost-effective and heritage based stable segmented telescope, a control architecture that minimizes the amount of new technologies, and an Exo-Earth yield assessment to evaluate potential performance. These efforts are combined through integrated modeling, coronagraph evaluations, and Exo-Earth yield calculations to assess the potential performance of the selected architecture. In addition, we discusses the scalability of this architecture to larger apertures and the technological tall poles to enabling it.

Feinberg, Lee↗

Nuclear Space System Analysis and Modelling (NSSAM): A Software Tool to Efficiently Analyze the Design Space of Space Reactor Systems

Space reactors have the potential to play a key role in future NASA exploration activities due to their capability to enable sustainable power and advanced propulsion systems. To enable assessment of the space reactor design space, the nuclear space system analysis and modelling (NSSAM) software was developed by Analytical Mechanics Associates. NSSAM leverages a scalable and extensible software architecture which automates reactor analysis to perform coupled engine-reactor and reactor physics-thermal hydraulics calculations. This allows space reactor systems to be evaluated by a wider number of users with a consistent analysis approach to compare designs. NSSAM has been developed with multiple use cases to tailor the analysis to the level of detail desired by the user and computing resources. This summary overviews the NSSAM architecture and development approach, current capabilities (including design variants and use cases) and analysis approach for reactor and system component models.

nuclear thermal propulsion↗

Production and Characterization of Additively Manufactured Radiator Panels with Integral Branching Heat Pipes for High-Temperature Heat Rejection

Emerging concepts for fission surface power and nuclear electric propulsion necessitate lightweight, mechanically robust, and thermally efficient heat rejection radiators. State-of-the-art intermediate-temperature (~400 K) composite radiator assemblies have been developed based on titanium-water heat pipes bonded to metal, graphite, and carbon-fiber-based panels. NASA has identified a need for new radiator concepts that can operate at even higher temperatures (500 – 600 K), minimize thermal resistances and thermal stress failures at bond interfaces, and approach areal densities of 2 – 3 kg m -2 . To meet these needs, our team is developing additively manufactured (AM) radiator panels with integral branching wicking heat pipe networks. Water is selected as the working fluid for this temperature range. Based on simulations and thermal vacuum experiments, these branching embedded heat pipe networks can efficiently distribute heat over panels for finned surface efficiencies of η f >70% at T H = 500 K input heat. This paper first presents laser powder-bed fusion AM strategies to produce embedded porous structures for wicking heat pipes in Inconel 718 and titanium alloys (commercially pure and Ti-6Al-4V alloys). Post-build chemical and thermal treatments are described that yield hydrophilic wicking surfaces for operation with water. Transient rate-of-rise experiments with water and acetone are reported that yield estimates for AM wick porosity (ϵ), permeability (K), and effective pore radius (r pore ). Based on the wick characterization results, small prototype radiator panels (75 × 125 mm) with integrated heat pipe networks were manufactured. Heat rejection performance data are presented from cold thermal vacuum testing, with heat input temperatures up to ~510 K. Future efforts will focus on improving heat pipe performance, optimizing radiator mass, and evaluating larger panels to assess scalability.

thermal management↗

Production and Characterization of Additively Manufactured Radiator Panels With Integral Branching Heat Pipes for High-Temperature Heat Rejection

Emerging concepts for fission surface power and nuclear electric propulsion necessitate lightweight, mechanically robust, and thermally efficient heat rejection radiators. State-of-the-art intermediate-temperature (~400 K) composite radiator assemblies have been developed based on titanium-water heat pipes bonded to metal, graphite, and carbon-fiber-based panels. NASA has identified a need for new radiator concepts that can operate at even higher temperatures (500 – 600 K), minimize thermal resistances and thermal stress failures at bond interfaces, and approach areal densities of 2 – 3 kg m -2 . To meet these needs, our team is developing additively manufactured (AM) radiator panels with integral branching wicking heat pipe networks. Water is selected as the working fluid for this temperature range. Based on simulations and thermal vacuum experiments, these branching embedded heat pipe networks can efficiently distribute heat over panels for finned surface efficiencies of η f >70% at T H = 500 K input heat. This paper first presents laser powder-bed fusion AM strategies to produce embedded porous structures for wicking heat pipes in Inconel 718 and titanium alloys (commercially pure and Ti-6Al-4V alloys). Post-build chemical and thermal treatments are described that yield hydrophilic wicking surfaces for operation with water. Transient rate-of-rise experiments with water and acetone are reported that yield estimates for AM wick porosity (ϵ), permeability (K), and effective pore radius ( r pore ). Based on the wick characterization results, small prototype radiator panels (75 × 125 mm) with integrated heat pipe networks were manufactured. Heat rejection performance data are presented from cold thermal vacuum testing, with heat input temperatures up to ~510 K. Future efforts will focus on improving heat pipe performance, optimizing radiator mass, and evaluating larger panels to assess scalability.

nuclear electric propulsion↗

Architecture of High-Altitude Operations (HAO) Discovery and Synchronization Service (DSS)

The aviation industry is evolving at an unprecedented pace, necessitating the development of efficient, secure, and interoperable systems to manage increasingly complex air traffic. Moreover, the demand for High-Altitude Operations (HAO) is increasing. Furthermore, air traffic control services are limited in HAO environments. HAO industry participants will need airspace access and flexibility to perform their missions in this airspace that provides provisions for scalability. The Discovery and Synchronization Service (DSS) will be a cornerstone of the HAO ecosystem, enabling the effective sharing of critical airspace data, including operational intent, aircraft trajectories, and airspace usage among various stakeholders and operators. The DSS architecture addresses these challenges with a distributed, decentralized, and interoperable system that facilitates seamless integration across diverse airspaces. It prioritizes secure data exchange while safeguarding data ownership. This white paper presents the vision, architecture, and benefits of the DSS for HAO, underscoring its potential to streamline operations, reduce redundancies, and establish a foundation for safe and efficient airspace management.

HAO↗

RE-INTEGRATE EMT Simulation Tool: Input Data Processing Layer for Bulk Power System

This paper introduces an advanced input data processing layer for EMT simulations of large-scale bulk power systems. The paper proposes two versions of the RE-INTEGRATE EMT simulation tool, RE-INTEGRATE Gen-0 and RE-INTEGRATE Gen-1, which are developed to enhance simulation generalizability, scalability, and accuracy. The framework leverages a generic class design for components to incorporate linear equations, which are generated by discretizing the Differential-Algebraic Equations (DAEs) that represent the dynamics of the components. In addition, the framework employs a parsing algorithm that parses a power system’s raw and dyr files to generate a connectivity graph which is then traversed to form the overall system’s dynamics. The proposed input data processing layer is used to simulate the IEEE 39-bus test system. The obtained results demonstrate the framework’s capability to achieve simulation scalability and accuracy. Further, the results indicate that EMT simulations performed using the proposed automations can effectively handle complex grid configurations.

Mishra, Rahul [ORNL] (ORCID:0000000328205932)↗

Scalability study of parallel spatial direct numerical simulation code on IBM SP1 parallel supercomputer

The implementation and the performance of a parallel spatial direct numerical simulation (PSDNS) code are reported for the IBM SP1 supercomputer. The spatially evolving disturbances that are associated with laminar-to-turbulent in three-dimensional boundary-layer flows are computed with the PS-DNS code. By remapping the distributed data structure during the course of the calculation, optimized serial library routines can be utilized that substantially increase the computational performance. Although the remapping incurs a high communication penalty, the parallel efficiency of the code remains above 40% for all performed calculations. By using appropriate compile options and optimized library routines, the serial code achieves 52-56 Mflops on a single node of the SP1 (45% of theoretical peak performance). The actual performance of the PSDNS code on the SP1 is evaluated with a 'real world' simulation that consists of 1.7 million grid points. One time step of this simulation is calculated on eight nodes of the SP1 in the same time as required by a Cray Y/MP for the same simulation. The scalability information provides estimated computational costs that match the actual costs relative to changes in the number of grid points.

Hanebutte, Ulf R.↗

CORE-BFS: Communication-Optimized REctangular-partitioned BFS Achieving 160.845 TeraTEPS on Frontier Supercomputer

Distributed Breadth-First Search (BFS) is fundamental to many large-scale graph applications, but its performance on parallel systems is often limited by high communication overhead. This paper presents CORE-BFS, an extremely scalable GPU-based BFS implementation that introduces a unique rectangular 2D partitioning-based design for Frontier supercomputer. To further improve performance, we propose four key optimizations: (1) Rectangular 2D-partition specific data formats that use two compressed row and one compressed column status array bitmaps combined with a Double Compressed Sparse Row (DCSR) format per partition, reducing memory footprint and inter-rank traffic; (2) Adaptive frontier & communication strategy that unifies top-down and bottom-up traversal on the rectangular layout, uses lazy synchronization in top-down levels, and switches variants based on frontier size to minimize communication overhead; (3) Frontier-split degree-aware update that maps frontier vertices to thread-centric, wavefront-centric, and block-centric kernels based on their degree to improve GPU utilization and memory coalescing; (4) Row-reduction pipeline that overlaps bottom-up adjacency list processing with row-wise bitmap reduction to hide inter-rank latency. Together, these techniques increase parallelism while reducing memory and communication overhead. On the Graph500 benchmark, CORE - BFS scales up to 9,248 Frontier nodes with scale-42 graphs and reaches 160.845 TTEPS, delivering a 5.42 × speedup over our previous Frontier implementation.

Yang, Haoshen [Rutgers University]↗

A-SST Initial Specification

The U.S. Army Research Office (ARO), in partnership with IARPA, are investigating innovative, efficient, and scalable computer architectures that are capable of executing next-generation large scale data-analytic applications. These applications are increasingly sparse, unstructured, non-local, and heterogeneous. Under the Advanced Graphic Intelligence Logical computing Environment (AGILE) program, Performer teams will be asked to design computer architectures to meet the future needs of the DoD and the Intelligence Community (IC). This design effort will require flexible, scalable, and detailed simulation to assess the performance, efficiency, and validity of their designs. To support AGILE, Sandia National Labs will be providing the AGILE-enhanced Structural Simulation Toolkit (A-SST). This toolkit is a computer architecture simulation framework designed to support fast, parallel, and multi-scale simulation of novel architectures. This document describes the A-SST framework, some of its library of simulation models, and how it may be used by AGILE Performers.

97 MATHEMATICS AND COMPUTING↗