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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Paths to future growth in photovoltaics manufacturing

The past decade has seen rapid growth in the photovoltaics industry, followed in the past few years by a period of much slower growth. A simple model that is consistent with this historical record can be used to predict the future evolution of the industry. Two key parameters are identified that determine the outcome. One is the annual global investment in manufacturing capacity normalized to the manufacturing capacity for the previous year (capacity-normalized capital investment rate, CapIR, units dollar/W). The other is how much capital investment is required for each watt of annual manufacturing capacity, normalized to the service life of the assets (capacity-normalized capital demand rate, CapDR, units dollar/W). If these two parameters remain unchanged from the values they have held for the past few years, global manufacturing capacity will peak in the next few years and then decline. However, it only takes a modest improvement in CapIR to ensure future growth in photovoltaics. Here, several approaches are presented that can enable the required improvement in CapIR. If, in addition, there is an accompanying improvement in CapDR, the rate of growth can be substantially accelerated.

14 SOLAR ENERGY↗
DOE OSTI2025

Bridging paradigms: Designing for HPC-Quantum convergence

Here, this paper presents a comprehensive software stack architecture for integrating quantum computing (QC) capabilities with High-Performance Computing (HPC) environments. While quantum computers show promise as specialized accelerators for scientific computing, their effective integration with classical HPC systems presents significant technical challenges. We propose a hardware-agnostic software framework that supports both current noisy intermediate-scale quantum devices and future fault-tolerant quantum computers, while maintaining compatibility with existing HPC workflows. The architecture includes a quantum gateway interface, standardized APIs for resource management, and robust scheduling mechanisms to handle both simultaneous and interleaved quantum–classical workloads. Key innovations include: (1) a unified resource management system that efficiently coordinates quantum and classical resources, (2) a flexible quantum programming interface that abstracts hardware-specific details, (3) A Quantum Platform Manager API that simplifies the integration of various quantum hardware systems, and (4) a comprehensive tool chain for quantum circuit optimization and execution. We demonstrate our architecture through implementation of quantum–classical algorithms, including the variational quantum linear solver, showcasing the framework’s ability to handle complex hybrid workflows while maximizing resource utilization. This work provides a foundational blueprint for integrating QC capabilities into existing HPC infrastructures, addressing critical challenges in resource management, job scheduling, and efficient data movement between classical and quantum resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Necromass responses to warming: A faster microbial turnover in favor of soil carbon stabilisation

Microbial byproducts and residues (hereafter ‘necromass’) potentially play the most critical role in soil organic carbon (SOC) sequestration. However, little is known about the influence of climate warming on necromass accumulation in the agroecosystem and the underlying mechanisms associated with microbial life strategies. Here, in order to address these knowledge gaps, we used amino sugars as biomarkers of microbial necromass, and investigated their variation through an 8-year trial in an agroecosystem with two warming levels (+1.6 and + 3.2 °C) compared to ambient temperature. The results showed that the lower warming level had no impact on total microbial necromass carbon. Conversely, warming the soil 3.2 °C above ambient increased total microbial necromass by 17 % and its contribution to SOC by 21.3 %, mainly by increasing fungal necromass (+19.8 %), whereas +3.2 °C warming had no impact on bacterial necromass. At the phylum level, compared with the ambient control, +3.2 °C warming induced an increase in the abundance of Proteobacteria and a decrease in both Acidobacteria and Actinobacteria, whereas in the fungal community, Ascomycota increased and Mortierellomycota decreased. This indicates that r-strategists outcompete K-strategists in warmer climates, which led to increased microbial necromass production and accumulation, as supported by the positive correlation between r-strategists and microbial necromass. Stronger microbial competition for resources also resulted in a higher biomass turnover rate, greater cell death, and greater production of microbial necromass. This was supported by the lower bacterial and fungal network complexity and trophic links under warming conditions. In addition, the necromass generated from accelerated microbial turnover further offsets warming-induced deceases in microbial biomass. Consequently, bulk SOC did not change, despite microbial necromass having a much greater response to warming than the soil C pool. Therefore, future climate warming may influence the composition and persistence of SOC during microbial degradation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Mechanochemical Solid Form Screening of Zeolitic Imidazolate Frameworks Using Structure-Directing Liquid Additives

We demonstrate a systematic application of the mechanochemical liquid-assisted grinding (LAG) methodology to screen for forms of zinc imidazolate (ZnIm 2 ), of fundamental importance as the simplest member of the zeolitic imidazolate framework materials family. The exploration of 45 different liquid additives, selected based on their molecular structure and physicochemical properties has resulted in eight different ZnIm 2 topological forms, appearing in 13 crystallographically distinct solid forms (including two previously unknown forms of the crb (BCT) topology), amorphous phases, and the interrupted moc-Zn 4 Im 8 HIm. All prepared topological forms were also explored computationally, using dispersion-corrected periodic density functional theory (DFT) calculations, enabling the rationalization of screening outcomes, and setting the stage for future prediction of additive-directed metal–organic framework (MOF) synthesis. This first systematic exploration of LAG in screening for three-dimensional MOFs demonstrates the potential of the liquid additive to not only accelerate materials synthesis, but also to direct it toward topologically different MOFs. The discovery of novel forms of a material that already exhibits at least 21 crystallographically and functionally different forms provides a strong testimony on the power of mechanochemistry in metal–organic materials discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Demonstration of plasma mirror capability for the OMEGA Extended Performance laser system

A plasma mirror platform was developed for the OMEGA-EP facility to redirect beams, thus enabling more flexible experimental configurations as well as a platform that can be used in the future to improve laser contrast. The plasma mirror reflected a short pulse focusing beam at 22.5° angle of incidence onto a 12.5 μm thick Cu foil, generating Bremsstrahlung and k α x rays, and accelerating ions and relativistic electrons. By measuring these secondary sources, the plasma mirror key performance metrics of integrated reflectivity and optical quality are inferred. It is shown that for a 5 ± 2 ps, 310 J laser pulse, the plasma mirror integrated reflectivity was 62 ± 13% at an operating fluence of 1670 J cm –2 , and that the resultant short pulse driven particle acceleration and x-ray generation indicate that the on target intensity was 3.1 × 10 18 W cm –2 , which is indicative of a good post-plasma mirror interaction beam optical quality. By deriving the plasma mirror performance metrics from the secondary source scalings, it was simultaneously demonstrated that the plasma mirror is ready for adoption in short pulse particle acceleration and high energy photon generation experiments using the OMEGA-EP system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Observational signatures of modified gravity on ultra-large scales

Extremely large surveys with future experiments like Euclid and the SKA will soon allow us to access perturbation modes close to the Hubble scale, with wavenumbers k∼H. If a modified gravity (MG) theory is responsible for cosmic acceleration, then the Hubble scale is a natural regime for deviations from General Relativity (GR) to become manifest. However, the majority of studies to date have concentrated on the consequences of alternative gravity theories for the subhorizon, quasi-static regime. In this paper, we investigate how modifications to the gravitational field equations affect perturbations around the Hubble scale. We choose functional forms to represent the generic scale-dependent behavior of gravity theories that modify GR at long wavelengths, and study the resulting deviations of ultra-large-scale relativistic observables from their GR behavior. We find that these are small unless modifications to the field equations are drastic. The angular dependence and redshift evolution of the deviations is highly parameterization- and survey-dependent, however, and so they are possibly a rich source of MG phenomenology if they can be measured.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

NCRP Program Area Committee 2: Operational Radiation Safety

Program Area Committee 2 of the National Council on Radiation Protection and Measurements provides guidance for radiation safety in occupational settings in a variety of industries and activities. The committee completed three reports in recent years covering recommendations for the development and administration of radiation safety programs for smaller educational institutions, requirements for self-assessment programs that improve radiation safety and identify and correct deficiencies, and a comprehensive process for effective investigation of radiological incidents. Ongoing work includes a report on sealed radioactive source controls and oversight of a report on radioactive nanomaterials focusing on gaps within current radiation safety programs. Future efforts may deal with operational radiation safety programs in fields such as the safe use of handheld and portable X-Ray fluorescence analyzers, occupational airborne radioactive contamination, unsealed radioactive sources, or industrial accelerators.

Operational Radiation Safety↗
DOE OSTI2019

Analyzing a Five-Year Failure Record of a Leadership-Class Supercomputer

Extreme-scale computing systems are required to solve some of the grand challenges in science and technology. From astrophysics to molecular biology, supercomputers are an essential tool to accelerate scientific discovery. However, large computing systems are prone to failures due to their complexity. It is crucial to develop an understanding of how these systems fail to design reliable supercomputing platforms for the future. This paper examines a five-year failure and workload record of a leadership-class supercomputer. To the best of our knowledge, five years represents the vast majority of the lifespan of a supercomputer. This is the first time such analysis is performed on a top 10 modern supercomputer. We performed a failure categorization and found out that: i) most errors are GPU-related, with roughly 37% of them being double-bit errors on the cards; ii) failures are not evenly spread across the physical machine, with room temperature presumably playing a major role; and iii) software errors of the system bring down several nodes concurrently. Our failure rate analysis unveils that: i) the system consistently degrades, being at least twice as reliable at the beginning, compared to the end of the period; ii) Weibull distribution closely fits the mean-time-between-failure data; and iii) hardware and software errors show a markedly different pattern. Finally, we correlated failure and workload records to reveal that: i) failure and workload records are weakly correlated, except for certain types of failures when segmented by the hours of the day; ii) several categories of failures make jobs crash within the first minutes of execution; and iii) a significant fraction of failed jobs exhaust the requested time with a disregard of when the failure occurred during execution.

Rojas, Elvis↗
DOE OSTI2024

Save or spend? Diverging water‐use strategies of grasses and encroaching clonal shrubs

Abstract Shrub encroachment is one of the primary threats to mesic grasslands around the world. This dramatic shift in plant cover has the potential to alter ecosystem‐scale water budgets and responses to novel rainfall regimes. Understanding divergent water‐use strategies among encroaching shrubs and the grasses they replace is critical for predicting shifts in ecosystem‐scale water dynamics as a result of shrub encroachment, particularly if drought events become more frequent and/or severe in the future. In this study, we assessed how water‐use traits of a rapidly encroaching clonal shrub (Cornus drummondii) and a dominant C 4 grass (Andropogon gerardii) impact responses to changes in water availability in tallgrass prairie. We assessed intra‐annual change in depth of water uptake, turgor loss point and stomatal regulation in each species. Sampling took place at Konza Prairie Biological Station (northeastern KS, USA) during the 2021 and 2022 growing seasons. Cornus drummondiishifted from shallow to deep soil water sources across the 2021 and 2022 growing seasons. This plasticity in depth of water uptake facilitated a ‘wasteful’ water‐use strategy inC. drummondii, where stomatal conductance and transpiration rates continued to increase even when no further gain in photosynthetic rate occurred.A. gerardiiphotosynthetic rates and stomatal conductance were more variable through time and were more responsive to changes in leaf water potential thanC. drummondii. However, intra‐annual adjustment of turgor loss point was more pronounced inC. drummondii(Δπ TLP = −0.48 MPa ± 0.15 SD) than inA. gerardii(Δπ TLP = −0.29 MPa ± 0.19 SD). Synthesis. These results suggest thatC. drummondiiis highly resilient to changes in water availability in surface soils and will likely remain unaffected by future droughts unless they are severe enough to reduce the availability of deep soil water. Given that clonal shrubs are key invaders of grasslands world‐wide, increased leaf‐level water loss is expected to accelerate ecosystem‐level drying as clonal shrub encroachment proceeds in mesic grasslands.

Environmental Sciences & Ecology↗
DOE OSTI2017

Matrix approach to land carbon cycle modeling: A case study with the Community Land Model

The terrestrial carbon (C) cycle has been commonly represented by a series of C balance equations to track C influxes into and effluxes out of individual pools in earth system models (ESMs). This representation matches our understanding of C cycle processes well but makes it difficult to track model behaviors. It is also computationally expensive, limiting the ability to conduct comprehensive parametric sensitivity analyses. To overcome these challenges, we have developed a matrix approach, which reorganizes the C balance equations in the original ESM into one matrix equation without changing any modeled C cycle processes and mechanisms. We applied the matrix approach to the Community Land Model (CLM4.5) with vertically-resolved biogeochemistry. The matrix equation exactly reproduces litter and soil organic carbon (SOC) dynamics of the standard CLM4.5 across different spatial-temporal scales. The matrix approach enables effective diagnosis of system properties such as C residence time and attribution of global change impacts to relevant processes. We illustrated, for example, the impacts of CO 2 fertilization on litter and SOC dynamics can be easily decomposed into the relative contributions from C input, allocation of external C into different C pools, nitrogen regulation, altered soil environmental conditions, and vertical mixing along the soil profile. In addition, the matrix tool can accelerate model spin-up, permit thorough parametric sensitivity tests, enable pool-based data assimilation, and facilitate tracking and benchmarking of model behaviors. Altogether, the matrix approach can make a broad range of future modeling activities more efficient and effective.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Strong correlation between stress drop and peak ground acceleration for recent M1–4 earthquakes in the San Francisco Bay Area

Theoretical and observational studies suggest that between-event variability in the median ground motions of larger ( M≥5 ) earthquakes is controlled primarily by the dynamic properties of the earthquake source, such as Brune-type stress drop. Analogous results remain equivocal for smaller events due to the lack of comprehensive and overlapping ground-motion and source-parameter datasets in this regime. Here in this paper, we investigate the relationship between peak ground acceleration (PGA) and dynamic stress drop for a new dataset of 5297 earthquakes that occurred in the San Francisco Bay area from 2002 through 2016. For each event, we measure PGA on horizontal-component channels of stations within 100 km and estimate stress drop from P-wave spectra recorded on vertical-component channels of the same stations. We then develop a nonparametric ground-motion prediction equation (GMPE) applicable for the moderate (M 1–4) earthquakes in our study region, using a mixed-effects generalization of the Random Forest algorithm. We use the Random Forest GMPE to model the joint influence of magnitude, distance, and near-site effects on observed PGA. We observe a strong correlation between dynamic stress drop and the residual PGA of each event, with the events with higher-than-expected PGA associated with higher values of stress drop. The strength of this correlation increases as a function of magnitude but remains significant even for smaller magnitude events with corner frequencies that approach the observable bandwidth of the acceleration records. Mainshock events are characterized by systematically higher stress drop and PGA than aftershocks of equivalent magnitude. Coherent local variations in the distribution of dynamic stress drop provide observational constraints to support the future development of nonergodic GMPEs that account for variations in median stress drop at different source locations.

58 GEOSCIENCES↗
DOE OSTI2024

Convergence QL: NSF/DOE Quantum Science Summer School: QS3 Final Report

Convergence QL: NSF/DOE Quantum Science Summer School (QS3) was a 2-week summer program held in 2017, 2018, 2019, and 2022. The program was aimed at graduate students and postdoctoral researchers working on a wide range of topics related to quantum science and quantum engineering. Expert leaders in this field served as lectures for the school. The school program included lectures, active learning, project activities, poster presentations, and industry panel discussions. The school covered four topics: Fundamentals and Applications of Quantum Computing (2017), Fundamentals and Applications of Quantum Materials (2018), Fundamentals and Applications of Quantum Devices (2019), and Modern Synthesis of Quantum Materials (2022). In terms of intellectual merit, the school brought together students from different areas of research related to quantum science to educate them on a broad range of related topics, providing a unique crucible for the development of educational content and learning opportunities in a cross-disciplinary fashion in the context of quantum science and quantum engineering. In terms of broader impacts, this may serve to create a workforce which would accelerate research in quantum science, quantum engineering, and the development of new quantum technologies beneficial to society. Additionally, this may add to the training of a cadre of scientists and engineers to serve as future leaders in this research field.

42 ENGINEERING↗
DOE OSTI2025

Keeping LAMMPS cutting edge

Since its inception 30 years ago, LAMMPS has grown to be a world-class molecular dynamics code and a cornerstone of computational materials science research. This project aimed to keep LAMMPS at the forefront of molecular dynamics simulations by adapting LAMMPS to the latest developments in machine learning technology and hardware. Initially, the project set out to provide a unified implementation of active learning for efficient training data generation in LAMMPS, but the research trajectory pivoted to address more immediate and impactful opportunities. On the hardware side, recent record-breaking molecular dynamics simulations were developed on the Cerebras wafer-scale AI chip, and this project has developed an interface between LAMMPS and the hardware-specific molecular dynamics code to accelerate and simplify development and user adoption. On the software side, PyTorch’s Ahead-of-Time (AOT) compilation features promised increased performance for state-of-the-art equivariant neural network potentials, and this project laid the groundwork for their adoption in LAMMPS, resulting in a nearly 20x acceleration in extreme cases. Combined with a comprehensive benchmark study of LAMMPS across all current exascale systems, this project has reinforced LAMMPS’s role as a versatile, high-performance tool for current and future materials science applications.

36 MATERIALS SCIENCE↗
NASA NTRS1981

The Pinhole/Occulter Facility

A large occulting system in space can be used for high resolution X-ray observations and for large aperture coronagraphic observations in visible and UV light. The X-ray observations can combine high angular resolution in hand (10 keV) X-radiation with the high sensitivity of a multiple pinhole camera, and can permit sensitive observations of bremsstrahlung from nonthermal particles in the corona. The large aperture coronagraphs have two major advantages: high angular resolution and good photon collection. This will permit observations of small scale structures in the corona for the first time and will give sufficient counting rates above the coronal background rates for sensitive diagnostic analysis of intensities and line profiles for coronal structures in the solar wind acceleration region. The technical basis for performing observations with a large occulting system in these three wavelength ranges is described as well as a pinhole/occulter facility presently being considered for Spacelab. Some indications about future developments are included.

Hudson, H. S.↗
NASA NTRS1992

The design and implementation of a parallel unstructured Euler solver using software primitives

This paper is concerned with the implementation of a three-dimensional unstructured grid Euler-solver on massively parallel distributed-memory computer architectures. The goal is to minimize solution time by achieving high computational rates with a numerically efficient algorithm. An unstructured multigrid algorithm with an edge-based data structure has been adopted, and a number of optimizations have been devised and implemented in order to accelerate the parallel communication rates. The implementation is carried out by creating a set of software tools, which provide an interface between the parallelization issues and the sequential code, while providing a basis for future automatic run-time compilation support. Large practical unstructured grid problems are solved on the Intel iPSC/860 hypercube and Intel Touchstone Delta machine. The quantitative effect of the various optimizations are demonstrated, and we show that the combined effect of these optimizations leads to roughly a factor of three performance improvement. The overall solution efficiency is compared with that obtained on the CRAY-YMP vector supercomputer.

Das, R.↗
NASA NTRS1994

Design and implementation of a parallel unstructured Euler solver using software primitives

This paper is concerned with the implementation of a three-dimensional unstructured-grid Euler solver on massively parallel distributed-memory computer architectures. The goal is to minimize solution time by achieving high computational rates with a numerically efficient algorithm. An unstructured multigrid algorithm with an edge-based data structure has been adopted, and a number of optimizations have been devised and implemented to accelerate the parallel computational rates. The implementation is carried out by creating a set of software tools, which provide an interface between the parallelization issues and the sequential code, while providing a basis for future automatic run-time compilation support. Large practical unstructured grid problems are solved on the Intel iPSC/860 hypercube and Intel Touchstone Delta machine. The quantitative effects of the various optimizations are demonstrated, and we show that the combined effect of these optimizations leads to roughly a factor of 3 performance improvement. The overall solution efficiency is compared with that obtained on the Cray Y-MP vector supercomputer.

Das, R.↗
NASA NTRS2006

Role of High-End Computing in Meeting NASA's Science and Engineering Challenges

Two years ago, NASA was on the verge of dramatically increasing its HEC capability and capacity. With the 10,240-processor supercomputer, Columbia, now in production for 18 months, HEC has an even greater impact within the Agency and extending to partner institutions. Advanced science and engineering simulations in space exploration, shuttle operations, Earth sciences, and fundamental aeronautics research are occurring on Columbia, demonstrating its ability to accelerate NASA s exploration vision. This talk describes how the integrated production environment fostered at the NASA Advanced Supercomputing (NAS) facility at Ames Research Center is accelerating scientific discovery, achieving parametric analyses of multiple scenarios, and enhancing safety for NASA missions. We focus on Columbia s impact on two key engineering and science disciplines: Aerospace, and Climate. We also discuss future mission challenges and plans for NASA s next-generation HEC environment.

Biswas, Rupak↗
NASA NTRS2022

NASA Enterprise Digital Transformation Initiative Strategic Framework & Implementation Approach

Since 1958, NASA has delivered its enduring bold purpose, characterized in the 2022 NASA Strategic Plan as a mission to discover, explore, innovate, and advance solutions to the problems of flight, within and outside the Earth’s atmosphere, for the benefit of humankind. The NASA Strategic Plan also recognizes that this mission will be delivered differently as it looks to a future marked by radical global change, which is in part being driven by digital advances. For this reason, in late 2020 NASA established an Enterprise Digital Transformation (DT) agency-level strategic initiative to accelerate and coordinate leveraging digital advances to transform the way the Agency works, the experience of its workforce and the agility of its workplace. This paper documents NASA’s DT strategic framework and associated implementation approach, with the DT strategic initiative serving to ignite, connect, integrate, and facilitate DT progress across a federated organizational operating model.

digital transformation↗