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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Geochemical advances in Arctic Alaska oil typing – North Slope oil correlation and charge history

The Arctic Alaska petroleum province is geologically and geochemically complex. Mixed hydrocarbon charge from multiple source rocks and/or levels of thermal maturity is common within an individual oil pool. Biomarker and chemometric statistical analyses were used to correlate twenty-nine oils to five oil families derived from: (1) Triassic Shublik Formation (calcareous organofacies), (2) Triassic Shublik Formation (shaly organofacies), (3) Jurassic Kingak Shale, (4) Cretaceous shale (pebble shale unit and Hue Shale), and (5) Paleogene shale (Canning Formation). Age-diagnostic and source-related oil biomarker parameters establish clear genetic relationships between the normal oil-window components and their putative source designations. However, application of diamondoid analyses reveals mixed-oil accumulations with postmature charge contributions (diamondoid-rich and biomarker-poor) in many oils. Most sampled reservoirs contain a predominant charge derived from a single oil-window source plus a minor contribution from one or more higher maturity source(s). Variations in source organofacies also are recognized in the Shublik, Kingak, and Cretaceous oil families. In some cases, oils from multiple pools within a single field display relatively homogeneous geochemical profiles, suggesting a common source and migration pathway. For example, oil from the significant Pikka discovery is inferred to originate mainly from the calcareous Shublik Formation. In other cases, variability among oils from multiple pools within a single field (e.g., Milne Point, Colville River, and Northstar) likely indicates a more complex source, migration, and charge history. The results of this study may be useful for anticipating the composition of oil charge in stratigraphic traps with low-permeability sandstone reservoirs, where oil gravity and other chemical parameters may influence economic viability.

58 GEOSCIENCES↗
DOE OSTI2014

Observations of the unidentified gamma-ray source TeV J2032+4130 by Veritas

TeV J2032+4130 was the first unidentified source discovered at very high energies (VHEs; E > 100 GeV), with no obvious counterpart in any other wavelength. It is also the first extended source to be observed in VHE gamma rays. Following its discovery, intensive observational campaigns have been carried out in all wavelengths in order to understand the nature of the object, which have met with limited success. We report here on a deep observation of TeV J2032+4130 based on 48.2 hr of data taken from 2009 to 2012 by the Very Energetic Radiation Imaging Telescope Array System experiment. The source is detected at 8.7 standard deviations (σ) and is found to be extended and asymmetric with a width of 9.'5 ± 1.'2 along the major axis and 4.'0 ± 0.'5 along the minor axis. The spectrum is well described by a differential power law with an index of 2.10 ± 0.14{sub stat} ± 0.21{sub sys} and a normalization of (9.5 ± 1.6{sub stat} ± 2.2{sub sys}) × 10{sup –13} TeV{sup –1} cm{sup –2} s{sup –1} at 1 TeV. We interpret these results in the context of multiwavelength scenarios which particularly favor the pulsar wind nebula interpretation.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Gamma-ray burst theory: Back to the drawing board

Gamma-ray bursts have always been intriguing sources to study in terms of particle acceleration, but not since their discovery two decades ago has the theory of these objects been in such turmoil. Prior to the launch of Compton Gamma-Ray Observatory and observations by Burst and Transient Source Experiment (BATSE), there was strong evidence pointing to magnetized Galactic neutron stars as the sources of gamma-ray bursts. However, since BATSE the observational picture has changed dramatically, requiring much more distant and possibly cosmological sources. I review the history of gamma-ray burst theory from the era of growing consensus for nearby neutron stars to the recent explosion of halo and cosmological models and the impact of the present confusion on the particle acceleration problem.

Harding, Alice K.↗
DOE OSTI2017

Models of the strongly lensed quasar DES J0408-5354

We present gravitational lens models of the multiply imaged quasar DES J0408-5354, recently discovered in the Dark Energy Survey (DES) footprint, with the aim of interpreting its remarkable quad-like configuration. We first model the DES single-epoch $grizY$ images as a superposition of a lens galaxy and four point-like objects, obtaining spectral energy distributions (SEDs) and relative positions for the objects. Three of the point sources (A,B,D) have SEDs compatible with the discovery quasar spectra, while the faintest point-like image (G2/C) shows significant reddening and a `grey' dimming of $\approx0.8$mag. In order to understand the lens configuration, we fit different models to the relative positions of A,B,D. Models with just a single deflector predict a fourth image at the location of G2/C but considerably brighter and bluer. The addition of a small satellite galaxy ($R_{\rm E}\approx0.2$") in the lens plane near the position of G2/C suppresses the flux of the fourth image and can explain both the reddening and grey dimming. All models predict a main deflector with Einstein radius between $1.7"$ and $2.0",$ velocity dispersion $267-280$km/s and enclosed mass $\approx 6\times10^{11}M_{\odot},$ even though higher resolution imaging data are needed to break residual degeneracies in model parameters. The longest time-delay (B-A) is estimated as $\approx 85$ (resp. $\approx125$) days by models with (resp. without) a perturber near G2/C. The configuration and predicted time-delays of J0408-5354 make it an excellent target for follow-up aimed at understanding the source quasar host galaxy and substructure in the lens, and measuring cosmological parameters. We also discuss some lessons learnt from J0408-5354 on lensed quasar finding strategies, due to its chromaticity and morphology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Framework for Analysis and Visualization of Simulation Data (VizAly)

As supercomputing resources increase, cosmological scientists are able to run more detailed and larger simulations generating massive amounts of data. Analyzing these simulations with an available open-source toolkit is important for collaborative Department of Energy scientific discovery across labs, universities, and other partners. Developed software as a part of this collection include: comparing data with other existing simulations, verifying and validating results with observation databases, new halo finder algorithms, and using analytical tools to get insights into the physics of the cosmological universe. The goal of this software project is to provide a set of open-source libraries, tools, and packages for large-scale cosmology that allows scientists to visualize, analyze, and compare large-scale simulation and observational data sets. Developed software will provide a variety of methods for processing, visualization, and analysis of astronomical observation and cosmological simulation data. These tools are intended for deployment on multiple scientific computing platforms, including but not limited to personal computers, cloud computing, experimental sites (telescopes) and high performance supercomputers.

Wendelberger, Joanne↗
DOE OSTI2023

ESnet Requirements Review Program Through the IRI Lens: A Meta-Analysis of Workflow Patterns Across DOE Office of Science Programs (Final Report)

The Department of Energy (DOE) ensures America’s security and prosperity by addressing its energy, environmental, and nuclear challenges through transformative science and technology solutions. The DOE’s Office of Science (SC) delivers groundbreaking scientific discoveries and major scientific tools that transform our understanding of nature and advance the energy, economic, and national security of the United States. The SC’s programs advance DOE mission science across a wide range of disciplines and have developed the research infrastructure needed to remain at the forefront of scientific discovery. The DOE SC’s world-class research infrastructure — exemplified by the 28 SC scientific user facilities — provides the research community with premier observational, experimental, computational, and network capabilities. Each user facility is designed to provide unique capabilities to advance core DOE mission science for its sponsor SC program and to stimulate a rich discovery and innovation ecosystem. Research communities gather and flourish around each user facility, bringing together diverse perspectives. A hallmark of many facilities is the large population of students, postdoctoral researchers, and early-career scientists who contribute as full-fledged users. These facility staff and users collaborate over years to devise new approaches to utilizing the user facility’s core capabilities. The history of the SC user facilities has many examples of wildly inventive researchers challenging operational orthodoxy to pioneer new vistas of discovery; for example, the use of the synchrotron X-ray light sources for study of proteins and other large biological molecules. This continual reinvention of the practice of science — as users and staff forge novel approaches expressed in research workflows — unlocks new discoveries and propels scientific progress. Within this research ecosystem, the high-performance computing (HPC) and networking user facilities stewarded by SC’s Advanced Scientific Computing Research (ASCR) program play a dynamic cross-cutting role, enabling complex workflows demanding high performance data, networking, and computing solutions. The DOE SC’s three HPC user facilities and the Energy Sciences Network (ESnet) high-performance research network serve all of the SC’s programs as well as the global research community. Argonne Leadership Computing Facility (ALCF), the National Energy Research Scientific Computing Center (NERSC), and Oak Ridge Leadership Computing Facility (OLCF) conceive, build, and provide access to a range of supercomputing, advanced computing, and large-scale data-infrastructure platforms, while ESnet interconnects DOE SC research infrastructure and enables seamless exchange of scientific data. All four facilities operate testbeds to expand the frontiers of computing and networking research. Together, the ASCR facilities enterprise seeks to understand and meet the needs and requirements across SC and DOE domain science programs and priority efforts, highlighted by the formal requirements reviews (RRs) methodology. In recent years, the research communities around the SC user facilities have begun experimenting with and demanding solutions integrated with HPC and data infrastructure. This rise of integrated-science approaches is documented in many community and high-level government reports. At the dawn of the era of exascale science and the acceleration of artificial intelligence (AI) innovation, there is a broad need for integrated computational, data, and networking solutions. In response to these drivers, DOE has developed a vision for an Integrated Research Infrastructure (IRI): To empower researchers to meld DOE’s world-class research tools, infrastructure, and user facilities seamlessly and securely in novel ways to radically accelerate discovery and innovation.

42 ENGINEERING↗
DOE OSTI2026

Operating advanced scientific instruments with AI agents that learn on the job

Advanced scientific user facilities, such as next generation X-ray light sources and self-driving laboratories, are revolutionizing scientific discovery by automating routine tasks and enabling rapid experimentation and characterizations. However, these facilities must continuously evolve to support new experimental workflows, adapt to diverse user projects, and meet growing demands for more intricate instruments and experiments. This continuous development introduces significant operational complexity, necessitating a focus on usability, reproducibility, and intuitive human-instrument interaction. In this work, we explore the integration of agentic AI, powered by Large Language Models (LLMs), as a transformative tool to achieve this goal. We present our approach to developing a human-in-the-loop pipeline for operating advanced instruments including an X-ray nanoprobe beamline and an autonomous robotic station dedicated to the design and characterization of materials. Specifically, we evaluate the potential of various LLMs as trainable scientific assistants for orchestrating complex, multi-task workflows, which also include multimodal data, optimizing their performance through optional human input and iterative learning. We demonstrate the ability of AI agents to bridge the gap between advanced automation and user-friendly operation, paving the way for more adaptable and intelligent scientific facilities.

Large Language Models↗
DOE OSTI2025

Leveraging data mining, active learning, and domain adaptation for efficient discovery of advanced oxygen evolution electrocatalysts

Developing advanced catalysts for acidic oxygen evolution reaction (OER) is crucial for sustainable hydrogen production. This study presents a multistage machine learning (ML) approach to streamline the discovery and optimization of complex multimetallic catalysts. Our method integrates data mining, active learning, and domain adaptation throughout the materials discovery process. Unlike traditional trial-and-error methods, this approach systematically narrows the exploration space using domain knowledge with minimized reliance on subjective intuition. Then, the active learning module efficiently refines element composition and synthesis conditions through iterative experimental feedback. The process culminated in the discovery of a promising Ru-Mn-Ca-Pr oxide catalyst. Our workflow also enhances theoretical simulations with domain adaptation strategy, providing deeper mechanistic insights aligned with experimental findings. By leveraging diverse data sources and multiple ML strategies, we demonstrate an efficient pathway for electrocatalyst discovery and optimization. This comprehensive, data-driven approach represents a paradigm shift and potentially benchmark in electrocatalysts research.

Science & Technology - Other Topics↗
DOE OSTI2026

Narrowing down sources of high-frequency gravitational waves

Detecting gravitational waves above 100 kHz would constitute a major discovery, as any observable signal would have to arise from new physics within the late universe. Although many technologies have been identified to explore this high-frequency regime, the known landscape of promising sources remains extremely sparse. In this work, we aim to rectify this issue by providing model-independent arguments that highlight the most interesting parts of theory space, while remaining agnostic of the specific signal mechanism. For example, energy-conservation implies that gravitational waves detectable by future experiments well above a MHz would most likely have to originate from within the Solar System. Based on these arguments, we also constrain the physical properties of such sources.

Berlin, Asher [Fermilab] (ORCID:0000000211561482)↗
DOE OSTI2022

High power targets: Challenges of next-generation high-intensity neutrino beams

High power target systems are crucial elements in enabling future neutrino and other rare particle beams. These systems transform intense source of protons into secondary particles of interest to enable new scientific discoveries. As primary beam intensities increase in next-generation multi-megawatt accelerator facilities, high power target systems face key challenges. Thermal shock and radiation damage effects in beam-intercepting devices were identified as the leading cross-cutting challenges of high-power target facilities. Target materials R&D to address these challenges are therefore essential to enable and ensure reliable operation of future accelerator target facilities. This paper provides an overview of the R&D activities underway to help support high power target systems development for next-generation multi-MW facilities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

hls4ml: An Open-Source Codesign Workflow to Empower Scientific Low-Power Machine Learning Devices

Accessible machine learning algorithms, software, and diagnostic tools for energy-efficient devices and systems are extremely valuable across a broad range of application domains. In scientific domains, real-time near-sensor processing can drastically improve experimental design and accelerate scientific discoveries. To support domain scientists, we have developed hls4ml, an open-source software-hardware codesign workflow to interpret and translate machine learning algorithms for implementation with both FPGA and ASIC technologies. We expand on previous hls4ml work by extending capabilities and techniques towards low-power implementations and increased usability: new Python APIs, quantization-aware pruning, end-to-end FPGA workflows, long pipeline kernels for low power, and new device backends include an ASIC workflow. Taken together, these and continued efforts in hls4ml will arm a new generation of domain scientists with accessible, efficient, and powerful tools for machine-learning-accelerated discovery.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2000

ASM-Triggered Too Observations of Kilohertz Oscillations in Three Atoll Sources

Three Rossi Timing Explorer (RXTE) observations were carried out for this proposal based on target of opportunity triggers derived from the All-Sky Monitor (ASM) on RXTE. We obtained short observations of 4U1636-536 (15ks) and 4U1735-44 (23ks) and a longer observation of 4U0614+091 (117ks). Our analysis of our observations of the atoll neutron star x-ray binary 4U1735-44 lead to the discovery of a second high frequency quasiperiodic oscillation (QPO) in this source. These results were published in the Astrophysical Journal Letters. The data obtained on the source 4U0614+091 were used in a comprehensive study of this source, which will be published in the Astrophysical Journal. The data from this proposal were particularly critical for that study as they lead to the detection of the highest QPO frequency every found in the x-ray emission from an x-ray binary which will be important in placing limits on the equation of state of nuclear matter.

Kaaret, P.↗
DOE OSTI2014

An open source platform for multi-scale spatially distributed simulations of microbial ecosystems

The goal of this project was to develop a tool for facilitating simulation, validation and discovery of multiscale dynamical processes in microbial ecosystems. This led to the development of an open-source software platform for Computation Of Microbial Ecosystems in Time and Space (COMETS). COMETS performs spatially distributed time-dependent flux balance based simulations of microbial metabolism. Our plan involved building the software platform itself, calibrating and testing it through comparison with experimental data, and integrating simulations and experiments to address important open questions on the evolution and dynamics of cross-feeding interactions between microbial species.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Towards a More Predictive Framework for Laser-Driven Particle Sources through Experimental Data-Informed Models

Laser-driven particle acceleration (LDPA) has emerged as a critical technology for high-energydensity physics applications since its discovery at Lawrence Livermore National Laboratory twenty years ago. However, realizing the full potential of these particle sources requires understanding the fundamental acceleration mechanisms and developing enhanced target designs for improved performance. This research addressed the need for controllable, high-performance laser-driven proton sources through two complementary approaches: experimentally investigating sheath field dynamics in multi-picosecond laser regimes and developing novel three-dimensional printed microstructured targets to achieve enhanced particle acceleration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

A new concept for searching for time-reversal symmetry violation using Pa-229 ions trapped in optical crystals

Certain pear-shaped nuclei are expected to have enhanced sensitivity to time-reversal and parity-violating interactions originating within the nuclear medium. In particular, Protactinium-229 is thought to be about 100,000 times more sensitive than Mercury-199 which currently sets some of the most stringent limits for these types of interactions. Several challenges would first have to be addressed in order to take advantage of this discovery potential. First, there is not currently a significant source of Pa-229 (1.5 day half-life); however, there are plans to harvest Pa-229 at the Facility for Rare Isotope Beams at Michigan State University. Second, the spin-5/2 nucleus of Pa-229 limits its coherence time while also making it sensitive to systematic effects related to local electric field gradients. On the other hand, this also give Pa-229 an additional source of signal in the form of a magnetic quadrupole moment (MQM) which violates the same symmetries as an EDM but is not observable in spin-1/2 systems. Third, in order to compensate for the small atom numbers and short coherence times, the Pa-229 atoms would have to be probed with exceptionally large electric and magnetic fields that may be possible if Pa-229 ions are embedded inside an optical crystal. We will describe some aspects of this concept using the stable Praseodymium-141 isotope as a surrogate which has the same nuclear spin and similar atomic structure of Pa-229.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Sputter-Deposited Mo Thin Films: Multimodal Characterization of Structure, Surface Morphology, Density, Residual Stress, Electrical Resistivity, and Mechanical Response

Multimodal datasets of materials are rich sources of information which can be leveraged for expedited discovery of process–structure–property relationships and for designing materials with targeted structures and/or properties. For this data descriptor article, we provide a multimodal dataset of magnetron sputter-deposited molybdenum (Mo) thin films, which are used in a variety of industries including high temperature coatings, photovoltaics, and microelectronics. In this dataset we explored a process space consisting of 27 unique combinations of sputter power and Ar deposition pressure. Here, the phase, structure, surface morphology, and composition of the Mo thin films were characterized by x-ray diffraction, scanning electron microscopy, atomic force microscopy, and Rutherford backscattering spectrometry. Physical properties—namely, thickness, film stress and sheet resistance—were also measured to provide additional film characteristics and behaviors. Additionally, nanoindentation was utilized to obtain mechanical load-displacement data. The entire dataset consists of 2072 measurements including scalar values (e.g., film stress values), 2D linescans (e.g., x-ray diffractograms), and 3D imagery (e.g., atomic force microscopy images). An additional 1889 quantities, including film hardness, modulus, electrical resistivity, density, and surface roughness, were derived from the experimental datasets using traditional methods. Minimal analysis and discussion of the results are provided in this data descriptor article to limit the authors’ preconceived interpretations of the data. Overall, the data modalities are consistent with previous reports of refractory metal thin films, ensuring that a high-quality dataset was generated. The entirety of this data is committed to a public repository in the Materials Data Facility.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Layer spacing gradient (NaLi) 1–x CoO 2 for electrochemical Li extraction

Designing materials with high Li to Na selectivity is the key for direct extraction of Li from unconventional sources, such as seawater, without complex separations. However, material discovery is hindered by an insufficient understanding on how a material's composition and structure relate to Li selectivity during electrochemical co-intercalation. Here, we synthesized a core-shell structured (NaLi) 1-x CoO 2 with a core Li phase (Li 0.94 CoO 2 ), a shell Na phase (Na 0.51 CoO 2 ), and a transition intermediate phase via Na ion-exchange of parent Li 1-x CoO 2 . We reveal that the chemical compositions and spatial relation of these phases play critical roles in governing high Li to Na selectivity. The core Li phase restricts large layer spacing expansion and inhibits Na intercalation. The shell Na phase serves to maintain the electrode stability against further Na ion exchange. With the layer spacing gradient design, we achieved a high Li selectivity of 1.5 x 10 5 with a recovery of similar to 7.6:1 Li to Na from 1:20,000 initial ratio.

36 MATERIALS SCIENCE↗
DOE OSTI2015

KM3NeT

KM3NeT is a large research infrastructure, that will consist of a network of deep-sea neutrino telescopes in the Mediterranean Sea. The main objective of KM3NeT is the discovery and subsequent observation of high-energy neutrino sources in the Universe. A further physics perspective is the measurement of the mass hierarchy of neutrinos. A corresponding study, ORCA, is ongoing within KM3NeT. A cost effective technology for (very) large water Cherenkov detectors has been developed based on a new generation of low price 3-inch photo-multiplier tubes. Following the successful deployment and operation of two prototypes, the construction of the KM3NeT research infrastructure has started. The prospects of the different phases of the implementation of KM3NeT are summarised.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗