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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Evolution of the SLATE linear algebra library

SLATE (Software for Linear Algebra Targeting Exascale) is a distributed, dense linear algebra library targeting both CPU-only and GPU-accelerated systems, developed over the course of the Exascale Computing Project (ECP). While it began with several documents setting out its initial design, significant design changes occurred throughout its development. In some cases, these were anticipated: an early version used a simple consistency flag that was later replaced with a full-featured consistency protocol. In other cases, performance limitations and software and hardware changes prompted a redesign. Sequential communication tasks were parallelized; host-to-host MPI calls were replaced with GPU device-to-device MPI calls; more advanced algorithms such as Communication Avoiding LU and the Random Butterfly Transform (RBT) were introduced. Early choices that turned out to be cumbersome, error prone, or inflexible have been replaced with simpler, more intuitive, or more flexible designs. Applications have been a driving force, prompting a lighter weight queue class, nonuniform tile sizes, and more flexible MPI process grids. Of paramount importance has been building a portable library that works across several different GPU architectures – AMD, Intel, and NVIDIA – while keeping a clean and maintainable codebase. Here we explore the evolving design choices and their effects, both in terms of performance and software sustainability.

Gates, Mark↗
DOE OSTI2024

Advances in ArborX to support exascale applications

ArborX is a performance portable geometric search library developed as part of the Exascale Computing Project (ECP). In this paper, we explore a collaboration between ArborX and a cosmological simulation code HACC. Large cosmological simulations on exascale platforms encounter a bottleneck due to the in-situ analysis requirements of halo finding, a problem of identifying dense clusters of dark matter (halos). This problem is solved by using a density-based DBSCAN clustering algorithm. With each MPI rank handling hundreds of millions of particles, it is imperative for the DBSCAN implementation to be efficient. In addition, the requirement to support exascale supercomputers from different vendors necessitates performance portability of the algorithm. We describe how this challenge problem guided ArborX development, and enhanced the performance and the scope of the library. We explore the improvements in the basic algorithms for the underlying search index to improve the performance, and describe several implementations of DBSCAN in ArborX. Further, we report the history of the changes in ArborX and their effect on the time to solve a representative benchmark problem, as well as demonstrate the real world impact on production end-to-end cosmology simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

UMap: An application-oriented user level memory mapping library

Exploiting the prominent role of complex memories in exascale node architecture, the UMap page fault handler offers new capabilities to access large memory-mapped data sets directly. UMap provides flexible configuration options to customize page handling to each application, including analysis of massive observational and simulation data sets. The high-performance design features I/O decoupling, dynamic load balancing, and application-level controls. Page faults triggered by application threads and processes accessing data mapped to a UMapp’ed region are handled via the Linux userfaultfd protocol, an asynchronous message-oriented kernel-user communication mechanism that avoids the context switch penalty of traditional signal fault handlers. UMap is fully open source. In this paper, we give an overview of the UMap library architecture, its extensible plugin architecture, and the use/performance of UMap in emerging heterogeneous memory hierarchies such as near-node Non-volatile Memory (NVM) and network attached memories. We highlight new capabilities in two pagefault management plugins, the NetworkStore and SparseStore. We demonstrate the integration between UMap and multiple ECP products including Caliper, Metall, ZFP, Mochi, and Ripples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

HPC I/O innovations in the exascale era

As high performance computing architecture evolves to deliver ever-increasing performance, the middleware tools also need to adapt in order for applications to better use these higher-performance features. Here, the Adaptable Input Output System (ADIOS), which provides scalable IO performance for exascale HPC applications is one such middleware. During the Exascale Computing Project (ECP), key portions of the ADIOS environment were adapted to respond to ongoing developments in exascale computing and the stresses and opportunities inherent in those changes. This paper examines those changes and where appropriate compares them to pre-exascale implementations.

ADIOS↗
DOE OSTI2024

Batched Sparse Linear Algebra Phase 2

The purpose of the work was to help LLNL develop a broadly applicable set of capabilities that focus on batched sparse linear functionality and its software implementation. The enablement occurred in a broader scope of the Exascale Computing Program (ECP) with an eye on the xSDK collection of applications and libraries. These served as the main dissemination targets and in the end benefitted from this project’s outcomes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Assessing Accelerator Library Integration in MOOSE

MOOSE is a general purpose open source multiphysics framework supporting native finite element and finite volume discretizations as well and wrapping other libraries providing arbitrary computational capabilities. Due to its generality, it has experienced significant success. However, with recent changes in the landscape of computer architectures, most notably the growth of GPU computing, MOOSE must assess new technologies or else risk alienating customers interested in the benefits these technologies can offer. In that vein we have assessed multiple accelerator libraries developed through the ECP project, including Kokkos, libCEED, and MFEM, and present our evaluation of these libraries as candidates for incorporation into the MOOSE framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Building Artificial Layered Solids from the Bottom-up: Materials by Design to Enable New Energy Technologies

This final technical report summarizes the key accomplishments on this DOE Early Career Program award received by PI Guihua Yu at the University of Texas at Austin. The main goal of this ECP award was to develop synthetic methodologies, self-assembly approaches towards structurally controlled nanosheets-like solids from the bottom up, and to understand and characterize their chemical/physical characteristics for the design of future-generation energy devices with novel functions and properties, that will have direct implications for energy science and technologies such as energy storage and conversion, and catalysis. The project accomplished these goals by completing the following objectives: • Rational design, synthesis, and self-assembly of structurally-controlled molecular ‘nanosheets’ materials. Moving beyond conventional van der Waals two-dimensional crystals, this project enables new synthesis and processing strategies to develop ultrathin nanosheets materials, from inorganic transition-metal oxides-based, to hybrid organic-inorganic nanomaterials, with structural factors such as facet, thickness and pore structure being well controlled during synthesis or assembly processes. • Fundamental understanding and electrochemical characterization of these assembled molecular ‘nanosheets’ materials via charge/mass transport studies through electrochemical intercalation of different metal ions for next-generation energy storage, as well as electrocatalytic studies using this new material platform for understanding catalytic reaction kinetics and the roles of surface functionalization and interface interactions owing to atomic thickness, nanoscale porosity, and other structural factors.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Argonne Leadership Computing Facility 2024 Operational Assessment Report

This Operational Assessment Report describes how the Argonne Leadership Computing Facility (ALCF) met or exceeded every goal set by DOE for the calendar year (CY) 2024. In CY 2024, the ALCF operated Polaris, an AMD and NVIDIA-based Hewlett Packard Enterprise (HPE) Apollo 6500 Gen10+ system that provides a powerful platform for breakthrough science and prepares applications and workloads for Aurora, Argonne National Laboratory’s Intel-HPE exascale computer. Since going into production in August 2022, Polaris has supported research teams from the DOE Exascale Computing Project (ECP), which concluded in 2024, and from ALCF’s Aurora Early Science Program (ESP). Polaris delivered a total of 2555.7K node-hours to 17 Innovative and Novel Computational Impact on Theory and Experiment (INCITE) 2024 projects and 601.6K node-hours to ASCR Leadership Computing Challenge (ALCC) projects (12 of which were awarded during the 2023–2024 ALCC year and 11 of which were awarded during the 2024–2025 ALCC year), as well as providing substantial time for Director’s Discretionary (DD) projects (966.2K node-hours). As Table ES.1 shows, Polaris performed exceptionally well in terms of overall availability (97.7 percent), scheduled availability (99.6 percent), and utilization (94.7 percent; Table 2.1). In CY 2024, ALCF supported more than 2,000 users. As of March 18, 2025, ALCF’s users have published 254 papers in peer-reviewed journals and technical proceedings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Microreactor Security-by-Design Recommendations for Domestic and International Deployments

This report outlines methods vendors can use to incorporate security-by-design (SeBD) into their microreactor facility design to support and address security for both U.S. and international deployment. The team developed a hypothetical below-grade microreactor with a physical protection system (PPS) to protect the microreactor against acts of theft and sabotage and evaluated it against two adversary attack scenarios defined by a group of adversary subject matter experts (SMEs). The hypothetical microreactor facility consists of two distinct buildings. The first is the above-grade protected area (PA) entry control point (ECP) building, which houses security personnel responsible for conducting screenings and managing access to the PA. The second building is the reactor building, which features both an above-grade floor and a below-grade floor.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1979

Analysis of building heating and cooling

Energy Conservation Program (ECP) gives design engineer methodology and easy-to-use computer program for simulating hourly thermal characteristics over full year for individually characterized zones within building. Inexpensive system can be used to develop thermal model of building to aid selection of most suitable and economical heating and cooling system for building

Chai, V. W.↗
NASA NTRS1983

Energy consumption analysis of the Venus Deep Space Station (DSS-13)

This report continues the energy consumption analysis and verification study of the tracking stations of the Goldstone Deep Space Communications Complex, and presents an audit of the Venus Deep Space Station (DSS 13). Due to the non-continuous radioastronomy research and development operations at the station, estimations of energy usage were employed in the energy consumption simulation of both the 9-meter and 26-meter antenna buildings. A 17.9% decrease in station energy consumption was experienced over the 1979-1981 years under study. A comparison of the ECP computer simulations and the station's main watt-hour meter readings showed good agreement.

Hayes, N. V.↗
NASA NTRS1983

Analysis of 12-700 micron reflectance spectra of three optical black samples

Normal incidence, specular reflectance spectra of three samples of optical black coatings have been measured in 10 filter passbands at effective wavelengths between 12 and 700 microns. Strong absorption, due to amorphous silicate material in the coatings, is found in the 15-50 micron region of each spectrum. Reflecting-layer model calculations are fitted by a nonlinear least-squares routine to the spectra at wavelengths beyond the absorption band to determine far-infrared optical parameters. It is found that, with a similar wavelength dependence, the absorption coefficient of a new black coating (ECP 2200) made by the Minnesota Mining and Manufacturing Company (3M) is less than 1/10 that of the discontinued coating, 3M Black Velvet Nextel. It is also shown that the extinction effect of a very rough substrate is negligible compared with the effects of increased upper surface roughness and coating thickness attendant upon fully covering a very rough substrate.

Smith, S. M.↗
NASA NTRS1985

Subseasonal and interannual variations of tropical convection and the El Nino/Southern Oscillation

It was found that during the northern winter, fluctuation in tropical convection is dominated by eastware propagating cloud clusters from the Indian Ocean. Most of these clusters reach as far as the central Pacific. Longitude time sections of outgoing longwave radiation (OLR) anomaly along the equator show that there are about 3 to 4 such episodes each winter. Also, simultaneous OLR anomalies over the equatorial central Pacific (ECP) and the maritime continent (MC) are negatively correlated and their variations are dominated by a 40 to 60 day period, suggesting the presence of a standing wave phenomenon. Such combination of propagating and standing phenomena can be captured by the extended empirical orthogonal function (EEOF) analysis. The EEOF method combines the temporal as well as the spatial correlation information to produce eigenmodes which have space time dependence. A 5 day and a 10 day lag in addition to the simultaneous spatial correlation is used.

Lau, K. M.↗
NASA NTRS1984

A final report on the extension of the MCSCF/CI method

For the period of July 1982 through January 1983, the research carried out focused on the nature of metal adsorbate bonding. Two main areas were investigated in detail: (1) the adsorption of CO on Al, Na, Mg and Ni; and (2) bonding in transition metal oxides, CuO, CrO and MoO. These theoretical studies have lead to a new understanding of CO-metal bonding as well as to a better understanding of the d involvement in the bonding in transition metal oxides. Four areas associated with cluster model studies are discussed in detail: hybridization and changing in cluster model studies, the adsorption of CO on metals (Al, Na, Mg), the adsorption of CO on Ni, and finally the use of effective core potentials (ECP) in cluster models.

Nelin, C. J.↗
NASA NTRS1986

Survey of material for an infrared-opaque coating

More than 40 reflectance spectra in the range from 20 to 500 microns have been obtained of a variety of coatings, binders, and additives to identify promising components of an infrared-opaque coating for the Space Infrared Telescope Facility. Certain combinations of materials showed a specular reflectance below 0.1 throughout the spectral range measured. In addition to estimating the optical constants of several combination coatings, this survey also supports three qualitative conclusions: (1) promising 'off-the-shelf' binders of different additives are Chemglaze Z-306, ECP-2200, and De Soto Black; (2) carbon black is very effective reducing far-infrared reflectance; and (3) the far-infrared reflectance from coatings containing 80 SiC grit is consistently lower than that from similar coatings containing TlBr powder.

Smith, Sheldon M.↗
NASA NTRS1987

Small Al clusters. I - The effect of basis set and correlation on the geometry of small Al clusters

A detailed study is presented of the basis set requirements and effects of correlation on the geometry and structure of small Al(n) clusters n = 2, 4, and 13. An effective core potential (ECP) is developed from the Huzinaga basis which accurately reproduces the all-electron results. It is found that depolarization functions are very important in computing the bond length, and that the bond contraction obtained is about as large for a 13-atom cluster as for the Al(4) rhombus structure. With d functions on each center in Al(13), a bond distance shorter than the bulk is obtained, as expected. The inclusion of correlation in Al(4) is found to be less important than the addition of polarization functions for determining the bond length, but increases substantially the calculated atomization energy. These calibration calculations allow an accurate treatment for Al(n) clusters to be designed.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1986

Survey of Material for an Infrared-Opaque Coating

More than 40 reflectance spectra in the range from 20 to 500 microns have been obtained for a variety of coatings, binders, and additives to identify promising components of an infrared-opaque coating for the Space Infrared Telescope Facility. Certain combinations of materials showed a specular reflectance below 0.1 throughout the spectral range measured. In addition to estimating the optical constants of several combination coatings, this survey also supports three qualitative conclusions: (1) promising off-the-shelf binders of different additives are Chemglaze Z-306, ECP-2200, and De Soto Black; (2) carbon black is very effective in reducing far-infrared reflectance; (3) the far-infrared reflectance from coatings containing 80 SiC grit is consistently lower than that from similar coatings containing TiBr powder.

Smith, Sheldon M.↗
NASA NTRS1994

Workshop on Countering Space Adaptation with Exercise: Current Issues

The proceedings represent an update to the problems associated with living and working in space and the possible impact exercise would have on helping reduce risk. The meeting provided a forum for discussions and debates on contemporary issues in exercise science and medicine as they relate to manned space flight with outside investigators. This meeting also afforded an opportunity to introduce the current status of the Exercise Countermeasures Project (ECP) science investigations and inflight hardware and software development. In addition, techniques for physiological monitoring and the development of various microgravity countermeasures were discussed.

Harris, Bernard A.↗