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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 775 records · Page 43

HARD: A performance portable radiation hydrodynamics code based on FleCSI framework

Hydrodynamics And Radiation Diffusion (HARD) is an open-source application for high-performance simulations of compressible hydrodynamics with radiation-diffusion coupling. Built on the FleCSI (Bergen et al., 2021 [1]) (Flexible Computational Science Infrastructure) framework, HARD expresses its computational units as tasks whose execution can be orchestrated by multiple back-end runtimes, including Legion (Bauer et al., 2012 [2]), MPI (Forum, 1994 [3]), and HPX (Kaiser et al., 2020 [4]). Node-level parallelism is handled through Kokkos (Edwards et al., 2014 [5]), providing a single-source, portable code base that runs efficiently on laptops, small homogeneous clusters, and the largest heterogeneous supercomputers currently available. To ensure scientific reliability, HARD includes a regression test suite that automatically reproduces canonical verification problems such as the Sod and LeBlanc shock tubes, and the Sedov blast wave, comparing numerical solutions against known analytical results. The project is distributed under an OSI-approved license, hosted on GitHub, and accompanied by reproducible build scripts and continuous integration workflows. This combination of performance portability, verification infrastructure, and community-focused development makes HARD a sustainable platform for advancing radiation hydrodynamics research across multiple domains.

97 MATHEMATICS AND COMPUTING↗

Decision-Tree Formulation With Order-1 Lateral Execution

A compact symbolic formulation enables mapping of an arbitrarily complex decision tree of a certain type into a highly computationally efficient multidimensional software object. The type of decision trees to which this formulation applies is that known in the art as the Boolean class of balanced decision trees. Parallel lateral slices of an object created by means of this formulation can be executed in constant time considerably less time than would otherwise be required. Decision trees of various forms are incorporated into almost all large software systems. A decision tree is a way of hierarchically solving a problem, proceeding through a set of true/false responses to a conclusion. By definition, a decision tree has a tree-like structure, wherein each internal node denotes a test on an attribute, each branch from an internal node represents an outcome of a test, and leaf nodes represent classes or class distributions that, in turn represent possible conclusions. The drawback of decision trees is that execution of them can be computationally expensive (and, hence, time-consuming) because each non-leaf node must be examined to determine whether to progress deeper into a tree structure or to examine an alternative. The present formulation was conceived as an efficient means of representing a decision tree and executing it in as little time as possible. The formulation involves the use of a set of symbolic algorithms to transform a decision tree into a multi-dimensional object, the rank of which equals the number of lateral non-leaf nodes. The tree can then be executed in constant time by means of an order-one table lookup. The sequence of operations performed by the algorithms is summarized as follows: 1. Determination of whether the tree under consideration can be encoded by means of this formulation. 2. Extraction of decision variables. 3. Symbolic optimization of the decision tree to minimize its form. 4. Expansion and transformation of all nested conjunctive-disjunctive paths to a flattened conjunctive form composed only of equality checks when possible. If each reduced conjunctive form contains only equality checks and all of these forms use the same variables, then the decision tree can be reduced to an order-one operation through a table lookup. The speedup to order one is accomplished by distributing each decision variable over a surface of a multidimensional object by mapping the equality constant to an index

James, Mark↗

Multi-GPU porting of a phase-change cascaded lattice Boltzmann method for three-dimensional pool boiling simulations

The Lattice Boltzmann method (LBM) has proven effective in simulating phase-change phenomena, such as melting, solidification, evaporation, and boiling. In this work, we develop a highly parallelized multi-GPU implementation of LBM for three-dimensional pool boiling simulations. The code is based on the OpenACC programming model, which enables the code to be deployed efficiently on multi-core CPUs, GPUs, and potentially other accelerators, without the need for architecture-specific rewrites. To support large-scale simulations, the domain is decomposed and distributed across multiple compute nodes using MPI. We demonstrate that the code exhibits excellent scaling properties, with ideal strong-scaling running with up to 256 GPUs on the MareNostrum5 cluster.

97 MATHEMATICS AND COMPUTING↗

Correlation and analysis of elevon seal test results

The heating rate and pressure distributions in and around the elevon coves were correlated. An analytical approach incorporating such a correlation into a thermal structure computer code to examine the elevon seal and cover structure in flight was developed. Emphasis was placed on the design of a thermal model that predicts gas and wall temperatures in the cove area. The elevon cove area was modelled analytically by a parallel plate flow channel, incorporating effects of axial wall conduction, axial and environmental radiant energy exchanges, and effects of laminar and turbulent convection entrance regions. Comparisons were made between computed and measured values of (1) cove wall temperatures; (2) local gas temperature within the cove; and (3) local heating rates.

Keshock, E. G.↗

Particle simulation on heterogeneous distributed supercomputers

We describe the implementation and performance of a three dimensional particle simulation distributed between a Thinking Machines CM-2 and a Cray Y-MP. These are connected by a combination of two high-speed networks: a high-performance parallel interface (HIPPI) and an optical network (UltraNet). This is the first application to use this configuration at NASA Ames Research Center. We describe our experience implementing and using the application and report the results of several timing measurements. We show that the distribution of applications across disparate supercomputing platforms is feasible and has reasonable performance. In addition, several practical aspects of the computing environment are discussed.

Becker, Jeffrey C.↗

Archive Management of NASA Earth Observation Data to Support Cloud Analysis

NASA collects, processes and distributes petabytes of Earth Observation (EO) data from satellites, aircraft, in situ instruments and model output, with an order of magnitude increase expected by 2024. Cloud-based web object storage (WOS) of these data can simplify the execution of such an increase. More importantly, it can also facilitate user analysis of those volumes by making the data available to the massively parallel computing power in the cloud. However, storing EO data in cloud WOS has a ripple effect throughout the NASA archive system with unexpected challenges and opportunities. One challenge is modifying data servicing software (such as Web Coverage Service servers) to access and subset data that are no longer on a directly accessible file system, but rather in cloud WOS. Opportunities include refactoring of the archive software to a cloud-native architecture; virtualizing data products by computing on demand; and reorganizing data to be more analysis-friendly.

Lynnes, Christopher↗

Archive Management of NASA Earth Observation Data to Support Cloud Analysis

NASA collects, processes and distributes petabytes of Earth Observation (EO) data from satellites, aircraft, in situ instruments and model output, with an order of magnitude increase expected by 2024. Cloud-based web object storage (WOS) of these data can simplify the execution of such an increase. More importantly, it can also facilitate user analysis of those volumes by making the data available to the massively parallel computing power in the cloud. However, storing EO data in cloud WOS has a ripple effect throughout the NASA archive system with unexpected challenges and opportunities. One challenge is modifying data servicing software (such as Web Coverage Service servers) to access and subset data that are no longer on a directly accessible file system, but rather in cloud WOS. Opportunities include refactoring of the archive software to a cloud-native architecture; virtualizing data products by computing on demand; and reorganizing data to be more analysis-friendly. Reviewed by Mark McInerney ESDIS Deputy Project Manager.

Lynnes, Christopher↗

Viewpoint 9--molecular structure of aqueous interfaces

In this review we summarize recent progress in our understanding of the structure of aqueous interfaces emerging from molecular level computer simulations. It is emphasized that the presence of the interface induces specific structural effects which, in turn, influence a wide variety of phenomena occurring near the phase boundaries. At the liquid-vapor interface, the most probable orientations of a water molecule is such that its dipole moment lies parallel to the interface, one O-H bond points toward the vapor and the other O-H bond is directed toward the liquid. The orientational distributions are broad and slightly asymmetric, resulting in an excess dipole moment pointing toward the liquid. These structural preferences persist at interfaces between water and nonpolar liquids, indicating that the interactions between the two liquids in contact are weak. It was found that liquid-liquid interfaces are locally sharp but broadened by capillary waves. One consequence of anisotropic orientations of interfacial water molecules is asymmetric interactions, with respect to the sign of the charge, of ions with the water surface. It was found that even very close to the surface ions retain their hydration shells. New features of aqueous interfaces have been revealed in studies of water-membrane and water-monolayer systems. In particular, water molecules are strongly oriented by the polar head groups of the amphiphilic phase, and they penetrate the hydrophilic head-group region, but not the hydrophobic core. At infinite dilution near interfaces, amphiphilic molecules exhibit behavior different from that in the gas phase or in bulk water. This result sheds new light on the nature of hydrophobic effect in the interfacial regions. The presence of interfaces was also shown to affect both equilibrium and dynamic components of rates of chemical reactions. Applications of continuum models to interfacial problems have been, so far, unsuccessful. This, again, underscores the importance of molecular-level information about interfaces.

Review, Tutorial↗

Validation of a High-Order Compact Code for Nonlinear Flows About Complex Geometric

The slides review computational requirements for nozzle exhaust flow and noise calculations and the current numerical method, validation of prefactored compact scheme on CAA benchmark problems, a curvilinear grid performance test of gust response of a Joukowski airfoil, airfoil surface RMS pressure distribution and far field noise radiation results for Joukowski airfoil in a vortical gust, boundary distance study for Joukowski airfoil problem, and performance of ICOMP parallel Macintosh cluster.

Hixon, Ray↗

Software For Drawing Design Details Concurrently

Software system containing five computer-aided-design programs enables more than one designer to work on same part or assembly at same time. Reduces time necessary to produce design by implementing concept of parallel or concurrent detailing, in which all detail drawings documenting three-dimensional model of part or assembly produced simultaneously, rather than sequentially. Keeps various detail drawings consistent with each other and with overall design by distributing changes in each detail to all other affected details.

Crosby, Dewey C., III↗

Analysis of coseismic surface displacement gradients using radar interferometry: New insights into the Landers earthquake

The map of the coseismic displacement field generated by interferometric processing of synthetic aperture radar (SAR) images taken before and after the June 28, 1992, Landers earthquake sequence brings new insights into the nature of deformation caused by these earthquakes. We use the interferometric map generated by Massonnet et al. (1993) to analyze the surface displacement field in the vicinity of the fault trace. Complexities in the fringe pattern near the fault reflect short-wavelength variations of the surface rupture and slip distribution, and attest to large displacement gradients. Along two sections of the fault, characteristic fringe patterns can be recognized, contrasting in density and direction with patterns observed away from the rupture. In order to understand the observed fringe patterns, we compute synthetic interferograms in three simple cases: (1) rigid-body rotations about a vertical axis, (2) about a horizontal axis (tilt), and (3) distributed, simple shear. The orientation and spatial separation of interferometric fringes predicted by these models help constrain near-field deformation and rupture parameters. Where the Kickapoo fault connects with the Homestead Valley fault, the interferogram shows a clear pattern of parallel N20 deg W fringes separated by about 160 m. This pattern and vertical offsets measured along the Kickapoo fault suggest that the block between this fault and the Johnson Valley fault may have been tilted, down to the west. A 5-km block lifted by 1 m on one side would be tilted by an angle of 0.01 deg (190 microrad), producing fringes separated by about 160 m, parallel to the tilt axis. Such a tilt, parallel to a N20 deg W direction, would account for the gradual, northward increase of the vertical slip component observed along the Kickapoo fault. This tilt may also explain the 1 m of reverse slip observed along the 'slip gap' section of the Homestead Valley break. Between the southern end of the Johnson Valley fault and the Eureka Peak fault, where no surface rupture has been mapped, the dense pattern of fringes implies distributed shear, probably resulting from fault slip at depth. The density and direction of the fringes in the gap are consistent with a right-lateral slip of 1.2-3.8 m on a blind fault locked above the depth of 1.5-2 km. Such observations of small wavelength features in the SAR interferogram bring new insights into the near-field displacement gradient and thus on response of the uppermost crust to seismic rupture.

Peltzer, Gilles↗

Validation of a Pressure-Based Combustion Simulation Tool Using a Single Element Injector Test Problem

The traditional design and analysis practice for advanced propulsion systems, particularly chemical rocket engines, relies heavily on expensive full-scale prototype development and testing. Over the past decade, use of high-fidelity analysis and design tools such as CFD early in the product development cycle has been identified as one way to alleviate testing costs and to develop these devices better, faster and cheaper. Increased emphasis is being placed on developing and applying CFD models to simulate the flow field environments and performance of advanced propulsion systems. This necessitates the development of next generation computational tools which can be used effectively and reliably in a design environment by non-CFD specialists. A computational tool, called Loci-STREAM is being developed for this purpose. It is a pressure-based, Reynolds-averaged Navier-Stokes (RANS) solver for generalized unstructured grids, which is designed to handle all-speed flows (incompressible to hypersonic) and is particularly suitable for solving multi-species flow in fixed-frame combustion devices. Loci-STREAM integrates proven numerical methods for generalized grids and state-of-the-art physical models in a novel rule-based programming framework called Loci which allows: (a) seamless integration of multidisciplinary physics in a unified manner, and (b) automatic handling of massively parallel computing. The objective of the ongoing work is to develop a robust simulation capability for combustion problems in rocket engines. As an initial step towards validating this capability, a model problem is investigated in the present study which involves a gaseous oxygen/gaseous hydrogen (GO2/GH2) shear coaxial single element injector, for which experimental data are available. The sensitivity of the computed solutions to grid density, grid distribution, different turbulence models, and different near-wall treatments is investigated. A refined grid, which is clustered in the vicinity of the solid walls as well as the flame, is used to obtain a steady state solution which may be considered as the best solution attainable with the steady-state RANS methodology. From a design point of view, quick turnaround times are desirable; with this in mind, coarser grids are also employed and the resulting solutions are evaluated with respect to the fine grid solution.

Thakur, Siddarth↗

Practical Implementation of GPU-based Computing at the Grid Edge for Resilience Scenarios

This paper presents a practical implementation of GPU-accelerated computing at the grid edge to enhance power system resilience through next-generation smart meters. Advanced Metering Infrastructure (AMI) systems rely predominantly on centralized processing architectures, which limit real-time response capabilities during grid disturbances. This work proposes the integration of GPU-enabled computational platforms directly within smart meter to enable local execution support for power system analytics, fault detection algorithms, and optimization routines. The proposed framework uses the Julia programming language to leverage highperformance parallel computing capabilities while maintaining code portability and development efficiency. We use two experimental scenarios to benchmark the computational feasibility of this approach: sparse linear system solutions representative of power flow analyses, and multi-stage production cost simulations incorporating unit commitment and economic dispatch operations. Results demonstrate that computationally intensive power system algorithms, such as those supporting resilience scenario calculations, can be effectively executed at the distribution edge using commercially available embedded GPU hardware. Keywords—GPU acceleration, edge computing, smart meters, grid resilience, AMI, resilience.

De Souza, Reubun [School of Electrical Engineering↗

MAX - An advanced parallel computer for space applications

MAX is a fault-tolerant multicomputer hardware and software architecture designed to meet the needs of NASA spacecraft systems. It consists of conventional computing modules (computers) connected via a dual network topology. One network is used to transfer data among the computers and between computers and I/O devices. This network's topology is arbitrary. The second network operates as a broadcast medium for operating system synchronization messages and supports the operating system's Byzantine resilience. A fully distributed operating system supports multitasking in an asynchronous event and data driven environment. A large grain dataflow paradigm is used to coordinate the multitasking and provide easy control of concurrency. It is the basis of the system's fault tolerance and allows both static and dynamical location of tasks. Redundant execution of tasks with software voting of results may be specified for critical tasks. The dataflow paradigm also supports simplified software design, test and maintenance. A unique feature is a method for reliably patching code in an executing dataflow application.

Lewis, Blair F.↗

Implementing Atmospheric Infrared Sounder (AIRS) and Cross-Track Infrared Sounder (CrIS) Cloud-Clearing Algorithm into the NASA GEOS: Focus on the 2017 Atlantic Tropical Cyclone Season

Numerical Weather Prediction (NWP) centers assimilate cloud-free infrared (IR) radiances because the assimilation of all-sky IR radiances is not yet operationally achievable. The cloud-clearing procedure offers a simpler, but effective strategy that produces cloud-affected radiances suitable for assimilation in partially cloudy regions. Several studies conducted by this team have demonstrated that IR Cloud-Cleared Radiances (CCRs), if thinned more aggressively than clear-sky radiances, can improve analysis and forecasts, particularly in meteorologically active areas. However, CCRs are not used by operational centers due partly to the thought that the process of cloud-clearing may affect latency and introduce difficult-to-control external dependencies. This study presents the results of implementing an Atmospheric Infrared Sounder (AIRS) and Cross-Track Infrared Sounder (CrIS) cloud-clearing procedure into the NASA Goddard Earth Observing System (GEOS) to demonstrate the portability of the procedure. The AIRS and CrIS cloud-clearing algorithms have been deprived of external dependencies, made customizable to any specific model, and the computational efficiency has been improved via parallelization. The revised AIRS and CrIS cloud-clearing algorithms allow a customized choice of channel selection, the use of a user-specified model's fields as first guess, and can perform in real time. Data assimilation experiments with the hybrid 4DEnVar GEOS system were successfully performed for the 2017 tropical cyclones (TC) season with a focus on three major hurricanes (Harvey, Irma, and Maria). This study shows that assimilation of locally-generated CCRs have a positive impact on both global skill and TC representation, compared to the assimilation of AIRS and CrIS clear-sky radiances, and a comparable or slightly improved impact compared to assimilation of CCRs produced by external sources, such as NASA's Distributed Active Archive Centers and NOAA’s Comprehensive Large Array-data Stewardship System. The customization and computational efficiency of the revised procedure would enable its usability in a real-time forecast context.

Niama Boukachaba↗

Stochastic evaluation of four-component relativistic second-order many-body perturbation energies: A potentially quadratic-scaling correlation method

A second-order many-body perturbation correction to the relativistic Dirac-Hartree-Fock energy is evaluated stochastically by integrating 13-dimensional products of four-component spinors and Coulomb potentials. The integration in the real space of electron coordinates is carried out by the Monte Carlo (MC) method with the Metropolis sampling, whereas the MC integration in the imaginary-time domain is performed by the inverse-CDF (cumulative distribution function) method. The computational cost to reach a given relative statistical error for spatially compact but heavy molecules is observed to be no worse than cubic and possibly quadratic with the number of electrons or basis functions. This is a vast improvement over the quintic scaling of the conventional, deterministic second-order many-body perturbation method. The algorithm is also easily and efficiently parallelized with demonstrated 92% strong scalability going from 64 to 4096 processors for a fixed job size.

74 ATOMIC AND MOLECULAR PHYSICS↗

Power Converter Circuit Design Automation using Parallel Monte Carlo Tree Search

The tidal waves of modern electronic/electrical devices have led to increasing demands for ubiquitous application-specific power converters. A conventional manual design procedure of such power converters is computation- and labor-intensive, which involves selecting and connecting component devices, tuning component-wise parameters and control schemes, and iteratively evaluating and optimizing the design. To automate and speed up this design process, we propose an automatic framework that designs custom power converters from design specifications using Monte Carlo Tree Search. Specifically, the framework embraces the upper-confidence-bound-tree (UCT), a variant of Monte Carlo Tree Search, to automate topology space exploration with circuit design specification-encoded reward signals. Moreover, our UCT-based approach can exploit small offline data via the specially designed default policy and can run in parallel to accelerate topology space exploration. Further, it utilizes a hybrid circuit evaluation strategy to substantially reduce design evaluation costs. Empirically, we demonstrated that our framework could generate energy-efficient circuit topologies for various target voltage conversion ratios. Compared to existing automatic topology optimization strategies, the proposed method is much more computationally efficient --- the sequential version can generate topologies with the same quality while being up to 67% faster. Here, the parallelization schemes can further achieve high speedups compared to the sequential version.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Ensuring statistical reproducibility of ocean model simulations in the age of hybrid computing

Novel high performance computing systems that feature hybrid architectures require large scale code refactoring to unravel underlying exploitable parallelism. Such redesign can often be accompanied with machine-precision changes as the order of computation cannot always be maintained. For chaotic systems like climate models, these round-off level differences can grow rapidly. Systematic errors may also manifest initially as machine-precision differences. Isolating genuine round off level differences from such errors remains a challenge. Here, we apply two-sample equality of distribution tests to evaluate statistical reproducibility of the ocean model component of US Department of Energy's Energy Exascale Earth System Model (E3SM). A 2-year control simulation ensemble is compared to a modified ensemble as a test case - after a known non-bit-for-bit change in a model component is introduced - to evaluate the null hypothesis that the two ensembles are statistically indistinguishable. To quantify the false negative rates of these tests, we conduct a formal power analysis using a targeted suite of short simulation ensembles. The ensemble suite contains several perturbed ensembles, each with a progressively different climate than the baseline ensemble - obtained by perturbing the magnitude of a single model tuning parameter, the Gent and McWilliams κ, in a controlled manner. The null hypothesis is evaluated for each of perturbed ensembles using these tests. The power analysis informs on the detection limits of the tests for given ensemble size allowing model developers to evaluate the impact of an introduced non-bit-for-bit change to the model.

Mahajan, Salil↗