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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 397 records · Page 22

Galactos: computing the anisotropic 3-point correlation function for 2 billion galaxies

The nature of dark energy and the complete theory of gravity are two central questions currently facing cosmology. A vital tool for addressing them is the 3-point correlation function (3PCF), which probes deviations from a spatially random distribution of galaxies. However, the 3PCF's formidable computational expense has prevented its application to astronomical surveys comprising millions to billions of galaxies. We present Galactos, a high-performance implementation of a novel, O( N 2 ) algorithm that uses a load-balanced k-d tree and spherical harmonic expansions to compute the anisotropic 3PCF. Our implementation is optimized for the Intel Xeon Phi architecture, exploiting SIMD parallelism, instruction and thread concurrency, and significant L1 and L2 cache reuse, reaching 39% of peak performance on a single node. Galactos scales to the full Cori system, achieving 9.8 PF (peak) and 5.06 PF (sustained) across 9636 nodes, making the 3PCF easily computable for all galaxies in the observable universe.

79 ASTRONOMY AND ASTROPHYSICS↗

pyDRESCALk

Modern data scientists are tasked to analyze ever-growing data sets with increasingly complex relationships. Tensor decompositions have come to play a central role in identifying underlying latent structures in higher-order data. The problem of fitting tensor models to different distributions is complicated by the combinations of size, dimensionality, and sparsity present in real world data. The situation demands efficient algorithms designed for shared-memory and distributed systems. This work will present new research that tackles these challenges on several different fronts, leveraging optimizations in numerical algorithms and sparse tensor representations in heterogeneous high performance computing environments.

Bhattarai, Manish↗

Transportable telemetry workstation for future distributed system environments

A Transportable Telemetry Workstation (TTW) has been developed to meet the need for reduction in size and cost per station while maintaining high performance specifications in distributed system environments. The TTW consists primarily of the adaptation of NASA's Goddard Space Flight Center VLSI components and system architecture to a personal computer and its architecture. The overall system, the architecture, the TTW Controller Card, TTW Synchronizer Card, custom backplane bus, and system software structure are described.

Collins, Aaron↗

Computer-Assisted Monitoring Of A Complex System

Propulsion System Advisor (PSA) computer-based system assists engineers and technicians in analyzing masses of sensory data indicative of operating conditions of space shuttle propulsion system during pre-launch and launch activities. Designed solely for monitoring; does not perform any control functions. Although PSA developed for highly specialized application, serves as prototype of noncontrolling, computer-based subsystems for monitoring other complex systems like electric-power-distribution networks and factories.

Beil, Bob J.↗

Simulation of Reverse Osmosis Membrane Compaction Using Material Point Method (MPM)

Access to fresh drinking water in the future requires effective management of industrial wastewater and water purification from available resources. In this study, we present the simulation methodology and the analysis of a Reverse Osmosis (RO) membrane under various pressure conditions using the Material Point Method (MPM). In contrast to other numerical methods, MPM solves the continuum governing equations on material points in a Lagrangian framework. The method does not require a grid connecting the material points hence making it suitable to simulate large deformations during membrane compaction. The time integration is carried out using the explicit Euler method, while the spatial discretization is performed using linear or cubic-spline shape functions. A series of planar images containing detailed pore structures obtained from X-ray tomography experiments is converted to a three-dimensional collection of material points to simulate the membrane. Compressive loads are applied to the top layer of the membrane to simulate the experiments. The membrane deformation and pore size distribution before and after load application are reported and compared with the experimental measurements. The presentation discusses the numerical methods used, the performance of the solver on high-performance computing machines, and the results of membrane compaction in detail.

ENGINEERING,MATHEMATICS AND COMPUTING↗

Potential of the Julia Programming Language for High Energy Physics Computing

Research in high energy physics (HEP) requires huge amounts of computing and storage, putting strong constraints on the code speed and resource usage. To meet these requirements, a compiled high-performance language is typically used; while for physicists, who focus on the application when developing the code, better research productivity pleads for a high-level programming language. A popular approach consists of combining Python, used for the high-level interface, and C++, used for the computing intensive part of the code. A more convenient and efficient approach would be to use a language that provides both high-level programming and high-performance. The Julia programming language, developed at MIT especially to allow the use of a single language in research activities, has followed this path. In this paper the applicability of using the Julia language for HEP research is explored, covering the different aspects that are important for HEP code development: runtime performance, handling of large projects, interface with legacy code, distributed computing, training, and ease of programming. The study shows that the HEP community would benefit from a large scale adoption of this programming language. The HEP-specific foundation libraries that would need to be consolidated are identified.

97 MATHEMATICS AND COMPUTING↗

The Kokkos Ecosystem [Brief]

In 2016/2017, the field of High-Performance Computing (HPC) entered a new era driven by fundamental physics challenges to produce ever more energy and cost-efficient processors. Since the convergence on the Message-Passing Interface (MPI) standard in the mid-1990s, application developers enjoyed a seemingly static view of the underlying machine — that of a distributed collection of homogeneous nodes executing in collaboration. However, after almost two decades of dominance, the sole use of MPI to derive parallelism acted as a limiter to improved future performance. While MPI is widely expected to continue to function as the basic mechanism for communication between compute nodes for the immediate future, additional parallelism is required on the computing node itself if high performance and efficiency goals are to be realized. When reviewing the architectures of the top HPC systems today, the change in paradigm is clear: the compute nodes of the leading machines in the world are either powered by many-core chips with a few dozen cores each, or use heterogeneous designs, where traditional CPUs marshal work to massively parallel compute accelerators which has as many as 200,000 processing threads in flight simultaneously. Complicating matters further for application developers, each processor vendor has its own preferred way of writing code for their architecture.The Kokkos EcoSystem was released by Sandia in 2017 to address this new era in HPC system design by providing a vendor independent performance portable programming system for scientific, engineering, and mathematical software applications written in the C++ programming language. Using Kokkos, application developers can be more productive because they will not have to create and maintain separate versions of their software for each architecture, nor will they have to be experts in each architecture's peculiar requirements. Instead, they will have a single method of programming for the diverse set of modern HPC architectures. While Kokkos started in 2011 as a programming model only, it soon became clear that complex applications needed more. It is also critical to have a portable mathematical functions and developers need tools to debug their applications, gain insight into the performance characteristics of their codes and tune algorithm performance parameters through automated processes. The Kokkos EcoSystem addresses those needs through its three main components: the Kokkos Core programming model, the Kokkos Kernels math library, and the Kokkos Tools project.

97 MATHEMATICS AND COMPUTING↗

PowderJet: Spherical metal powder production via multi-orifice droplet-on-demand metal jetting

Leading metal additive manufacturing techniques, such as laser powder bed fusion and directed energy deposition, rely on high-quality spherical metal powders. However, traditional powder production methods like gas atomization face limitations, including low in-spec yield, asphericity, and internal porosity. We introduce PowderJet, a powder production platform that uses electromagnetic pulses to eject liquid metal droplets from a multi-orifice nozzle. Unlike stochastic methods, PowderJet tightly controls powder size, distribution, and purity through a droplet-on-demand approach. We detail the system’s design, operation, and performance using a combined experimental and computational fluid dynamics (CFD) framework. Initial results with Al4008 and Cu110 alloys demonstrate successful production, yielding unsieved aluminum powder batches with a mean diameter of 200 µm and a narrow size distribution (15 µm standard deviation). The produced powders are highly spherical, achieving a roundness > 0.95. PowderJet operates with a small melt volume (3 mL) and supports continuous refilling, enabling production rates between 30 and 140 cm³/hr depending on jetting frequency, number of orifices and particle size. CFD simulations show that future systems could achieve rates exceeding 1000 cm³/hr for particle sizes as small as 40 µm. PowderJet’s high yield of in-spec powder makes it ideal for producing precious or hazardous materials that are inefficient to manufacture using conventional methods. This platform offers a scalable, precise, and efficient solution for producing high-quality powders tailored for advanced manufacturing applications.

Atomization↗

GeoAI: spatially explicit artificial intelligence techniques for geographic knowledge discovery and beyond

Recent progress in Artificial Intelligence (AI) techniques, the large-scale availability of high-quality data, as well as advances in both hardware and software to efficiently process these data, are transforming a range of fields from computer vision and natural language processing to autonomous driving and healthcare. For example, the availability of high-resolution geographic data and high-performance computing techniques together with deep learning fuel progress in fast and accurate object detection. Recent examples of GeoAI work include the detections of terrain features and densely-distributed building footprints, information extraction from scanned historical maps, semantic classification (e.g. LiDAR point clouds), novel methods for spatial interpolation, and advances in traffic forecasting. Similarly, machine learning and natural language processing are facilitating the extraction of geographic information from unstructured (textual) data, such as news articles and Wikipedia as well as the matching of natural features in multiple gazetteers.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Dynamic Species Reduction for Multi-Cycle CFD Simulations (Final Technical Report)

This project primarily sought to address some of the computational cost concerns of detailed simulations by developing improved methods of handling species transport, and chemical kinetics evaluation in a commercial 3D Computational Fluid Dynamics (CFD) environment. Secondary goals were to apply these techniques to fuels and conditions of interest to better understand the key species and reactions required to adequately capture cycle to cycle coupling. Improved modeling will lead to better understanding of these combustion modes and their dependence on fuel composition, which can then enable more clean and efficient engines, ultimately benefiting the consumer as well as the general public. Two approaches were used to address the computational cost. A “Dynamic Species Reduction” (DSR) procedure was developed to remove chemical species from the simulation during periods when chemical reactions were not expected to be important, particularly during gas exchange when temperatures are low and little fuel remains. This modelling procedure automatically detects relevant species to retain in the simulation domain based on their local concentration, removes species below a specified concentration threshold, and then adjusts the remaining species mass to conserve not only the number of H, C, and O atoms in each cell, but also the relative proportions between species and the heating value of the mixture in every cell. The second procedure was a “Product Directed Remapping” (PDR) updates the algorithm used to group individual computational cells for chemical kinetics evaluation to account for non-uniform temperature distributions and the CO to CO 2 ratio in the cells. The model techniques developed in this work successfully demonstrated computational performance improvements for a range of conditions relevant for Highly Dilute SI and HCCI engine operation. Runtime reductions of 10% were observed for small mechanisms, with further reductions of up to 36% observed for larger mechanisms. Improvements were primarily related to reducing the number of chemical species tracked during the gas exchange process using the Dynamic Species Reduction method. With smaller benefits observed from changes to the kinetics binning and evaluation strategy in the post combustion region using the PDR method. The results of this work show the potential for improved computational runtime for complicated simulations. They can and should be extended to additional conditions and new bio-derived and renewable fuels as they are developed and new kinetic mechanisms become available.

10 SYNTHETIC FUELS↗

Unitary Qubit Lattice Algorithms for Plasma Physics

This final technical report summarizes research conducted under DOE Award DE-SC0021653 to develop unitary Quantum Lattice Algorithms for modeling electromagnetic wave propagation and scattering in complex media, including plasmas. The project developed and validated quantum-inspired formulations of Maxwell's equations that preserve unitary evolution and can be evaluated on classical high-performance computing systems while providing a foundation for future quantum-computing implementations. Major accomplishments include the development of two- and three-dimensional algorithms for electromagnetic scattering; scalable, distributed-memory implementations demonstrated on the Perlmutter supercomputer; formulations for nonlinear lossless fluid dynamics and cold, lossless, inhomogeneous magnetized plasmas; and an explicit quantum algorithm for a time-discretized Lorenz model. Simulations reproduced a range of characteristic wave phenomena, including transient effects that are not readily apparent in conventional frequency-domain studies, demonstrating the effectiveness of the proposed approach for modeling complex electromagnetic and plasma systems. The work establishes a unified theoretical and computational framework for quantum and quantum-inspired simulation and provides a foundation for future implementation on fault-tolerant quantum systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Atmospheric correction of high resolution land surface images

Algorithms to correct for atmospheric-scattering effects in high-spatial resolution land-surface images require the ability to perform rapid and accurate computations of the top-of-atmosphere diffuse radiance field for arbitrarily general surface reflectance distributions (which may be both heterogeneous and non-Lambertian) and atmospheric models. Using three-dimensional radiative transfer (3DRT) theory algorithms are being developed. The methodology used to perform the 3DRT calculations is described. It is shown how these calculations are used to perform atmospheric corrections, and the sensitivity of the retrieved surface reflectances to atmospheric structural parameters is illustrated.

Diner, D. J.↗

Design of advanced turbopump drive turbines for National Launch System application

The aerodynamic design of advanced fuel and oxidizer pump drive turbine systems being developed for application in the main propulsion system of the National Launch System are discussed. The detail design process is presented along with the final baseline fuel and oxidizer turbine configurations. Computed airfoil surface static pressure distributions and flow characteristics are shown. Both turbine configurations employ unconventional high turning blading (approximately 160 deg) and are expected to provide significant cost and performance benefits in comparison with traditional configurations.

Huber, F. W.↗

Development of a Kalman filter estimator for simulation and control of particulate matter distribution of a diesel catalyzed particulate filter

The knowledge of the temperature and particulate matter mass distribution is essential for monitoring the performance and durability of a catalyzed particulate filter. A catalyzed particulate filter model was developed, and it showed capability to accurately predict temperature and particulate matter mass distribution and pressure drop across the catalyzed particulate filter. However, the high-fidelity model is computationally demanding. Therefore, a reduced order multi-zone particulate filter model was developed to reduce computational complexity with an acceptable level of accuracy. In order to develop a reduced order model, a parametric study was carried out to determine the number of zones necessary for aftertreatment control applications. The catalyzed particulate filter model was further reduced by carrying out a sensitivity study of the selected model assumptions. The reduced order multi-zone particulate filter model with 5 × 5 zones was selected to develop a catalyzed particulate filter state estimator considering its computational time and accuracy. Next, a Kalman filter–based catalyzed particulate filter estimator was developed to estimate unknown states of the catalyzed particulate filter such as temperature and particulate matter mass distribution and pressure drop (Δ P) using the sensor inputs to the engine electronic control unit and the reduced order multi-zone particulate filter model. A diesel oxidation catalyst estimator was also integrated with the catalyzed particulate filter estimator in order to provide estimates of diesel oxidation catalyst outlet concentrations of NO 2 and hydrocarbons and inlet temperature for the catalyzed particulate filter estimator. The combined diesel oxidation catalyst–catalyzed particulate filter estimator was validated for an active regeneration experiment. The validation results for catalyzed particulate filter temperature distribution showed that the root mean square temperature error by using the diesel oxidation catalyst–catalyzed particulate filter estimator is within 3.2 °C compared to the experimental data. Similarly, the Δ P estimator closely simulated the measured total Δ P and the estimated cake pressure drop error is within 0.2 kPa compared to the high-fidelity catalyzed particulate filter model.

Engineering↗

On Data Transfers Over Wide-Area Dedicated Connections

Dedicated wide-area network connections are employed in big data and high-performance computing scenarios, since the absence of cross-traffic promises to make it easier to analyze and optimize data transfers over them. However, nonlinear transport dynamics and end-system complexity due to multi-core hosts and distributed file systems make these tasks surprisingly challenging. We present an overview of methods to analyze memory and disk file transfers using extensive measurements over 10 Gbps physical and emulated connections with 0–366 ms round trip times (RTTs). For memory transfers, we derive performance profiles of TCP and UDT throughput as a function of RTT, which show concave regions in contrast to entirely convex regions predicted by previous models. These highly desirable concave regions can be expanded by utilizing large buffers and more parallel flows. We also present Poincar´e maps and Lyapunov exponents of TCP and UDT throughputtraces that indicate complex throughput dynamics. For disk file transfers, we show that throughput can be optimized using a combination of parallel I/O and network threads under direct I/O mode. Our initial throughput measurements of Lustre filesystems mounted over long-haul connections using LNet routers show convex profiles indicative of I/O limits.

Rao, Nageswara S.↗

Porting ATLAS Fast Calorimeter Simulation to GPUs with Performance Portable Programming Models

FastCaloSim is a parameterized simulation of the particle energy response and of the energy distribution in the ATLAS calorimeter. It is a relatively small and self-contained package with massive inherent parallelism and captures the essence of GPU offloading via important operations like data transfer, memory initialization, floating point operations, and reduction. It was identified by the High Energy Physics Center for Computational Excellence project as a good testbed for evaluating the performance and ease of portability of programming models. In this paper, we will discuss the results of our evaluation of the porting process to Kokkos, SYCL, Alpaka, OpenMP and std::par (nvc++), and compare performance on NVIDIA, AMD and Intel GPUs, as well as multicore CPUs.

97 MATHEMATICS AND COMPUTING↗

High-Intensity Radiated Field Fault-Injection Experiment for a Fault-Tolerant Distributed Communication System

Safety-critical distributed flight control systems require robustness in the presence of faults. In general, these systems consist of a number of input/output (I/O) and computation nodes interacting through a fault-tolerant data communication system. The communication system transfers sensor data and control commands and can handle most faults under typical operating conditions. However, the performance of the closed-loop system can be adversely affected as a result of operating in harsh environments. In particular, High-Intensity Radiated Field (HIRF) environments have the potential to cause random fault manifestations in individual avionic components and to generate simultaneous system-wide communication faults that overwhelm existing fault management mechanisms. This paper presents the design of an experiment conducted at the NASA Langley Research Center's HIRF Laboratory to statistically characterize the faults that a HIRF environment can trigger on a single node of a distributed flight control system.

Yates, Amy M.↗

CP violation searches and distributed computing development with the Belle II Experiment at the University of Mississippi and Brookhaven National Laboratory (Final Report)

This report reflects the work performed at the University of Mississippi under the support of DOE EPSCoR grant DE‐SC0021274 during the period of September 2020 through August 2024, including a one-year, no-cost extension. A summary of the research outcomes is given, with reference to the project goals as stated in the proposal. This successful project supported the mission of the DOE High Energy Physics program by leveraging the complimentary expertise of researchers at the University of Mississippi and Brookhaven National Lab to search for CP violation in charmed baryon decays using data from the Belle II experiment and to provide vital support for Belle II distributed computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗