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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Magnetar-powered Supernovae in Two Dimensions. II. Broad-line Supernovae Ic

Nascent neutron stars (NSs) with millisecond periods and magnetic fields in excess of 10{sup 16} Gauss can drive highly energetic and asymmetric explosions known as magnetar-powered supernovae. These exotic explosions are one theoretical interpretation for supernovae Ic-BL, which are sometimes associated with long gamma-ray bursts. Twisted magnetic field lines extract the rotational energy of the NS and release it as a disk wind or a jet with energies greater than 10{sup 52} erg over ∼20 s. What fraction of the energy of the central engine go into the wind and the jet remain unclear. We have performed two-dimensional hydrodynamical simulations of magnetar-powered supernovae (SNe) driven by disk winds and jets with the CASTRO code to investigate the effect of the central engine on nucleosynthetic yields, mixing, and light curves. We find that these explosions synthesize less than 0.05 M{sub ⊙} of {sup 56}Ni and that this mass is not very sensitive to central engine type. The morphology of the explosion can provide a powerful diagnostic of the properties of the central engine. In the absence of a circumstellar medium, these events are not very luminous, with peak bolometric magnitudes of M{sub b}∼−16.5 due to low {sup 56}Ni production.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

First Lunar Outpost crew module thermal protection design sensitivity

A thermal protection study was conducted on the first lunar outpost (FLO) crew module. The study objectives are as follows: (1) assess effects of vehicle size on aerothermodynamic environment and thermal protection system (TPS) weight; (2) assess effects of lunar-return strategies on aerothermodynamic environment and TPS weight; and (3) assess weight penalty for common TPS design for all lunar-return strategies. All material is covered in viewgraph format.

Bouslog, Stan↗
DOE OSTI2017

Biophysical drivers of seasonal variability in Sphagnum gross primary production in a northern temperate bog

Sphagnum mosses are the keystone species of peatland ecosystems. With rapid rates of climate change occurring in high latitudes, vast reservoirs of carbon accumulated over millennia in peatland ecosystems are potentially vulnerable to rising temperature and changing precipitation. We investigate the seasonal drivers of Sphagnum gross primary production (GPP)—the entry point of carbon into wetland ecosystems. Continuous flux measurements and flux partitioning show a seasonal cycle of Sphagnum GPP that peaked in the late summer, well after the peak in photosynthetically active radiation. Wavelet analysis showed that water table height was the key driver of weekly variation in Sphagnum GPP in the early summer and that temperature was the primary driver of GPP in the late summer and autumn. Flux partitioning and a process-based model of Sphagnum photosynthesis demonstrated the likelihood of seasonally dynamic maximum rates of photosynthesis and a logistic relationship between the water table and photosynthesizing tissue area when the water table was at the Sphagnum surface. Here, the model also suggested that variability in internal resistance to CO 2 transport, a function of Sphagnum water content, had minimal effect on GPP. To accurately model Sphagnum GPP, we recommend the following: (1) understanding seasonal photosynthetic trait variation and its triggers in Sphagnum ; (2) characterizing the interaction of Sphagnum photosynthesizing tissue area with water table height; (3) modeling Sphagnum as a “soil” layer for consistent simulation of water dynamics; and (4) measurement of Sphagnum “canopy” properties: extinction coefficient (k), clumping (Ω), and maximum stem area index (SAI).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Dynamic Field Modulation of the Octahedral Framework in Metal Oxide Heterostructures

Control over the oxygen octahedral framework is widely recognized as key to the design of functional properties in perovskite oxide heterostructures. Although the oxygen octahedral framework can be manipulated during synthesis, the as-grown oxygen octahedra generally remain fixed, preventing the development of adaptive behavior in electronic and ionotronic systems. Here, it is demonstrated that the oxygen octahedral framework can be dynamically and reversibly manipulated by an electric field through the coupling with oxygen vacancies. Studying model WO 3 heterostructures during ionic liquid gating with a combination of in situ X-ray scattering and spectroscopy, it is shown that large changes in electronic properties can arise due to the increased flexibility of the octahedral network at high vacancy concentrations. Furthermore, the results describe a generic framework for the construction of dynamic systems and devices with an array of field-tunable properties.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Ferroelectric Domain Wall Motion in Freestanding Single-Crystal Complex Oxide Thin Film

Ferroelectric domain walls in single-crystal complex oxide thin films are found to be orders of magnitude slower when the interfacial bonds with the heteroepitaxial substrate are broken to create a freestanding film. This drastic change in domain wall kinetics does not originate from the alteration of epitaxial strain; rather, it is correlated with the structural ripples at mesoscopic length scale and associated flexoelectric effects induced in the freestanding films. In contrast, the effects of the bond-breaking on the local static ferroelectric properties of both top and bottom layers of the freestanding films, such as domain wall width and spontaneous polarization, are modest and governed by the change in epitaxy-induced compressive strain.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Controlled Formation of Conduction Channels in Memristive Devices Observed by X–ray Multimodal Imaging

Neuromorphic computing provides a means for achieving faster and more energy efficient computations than conventional digital computers for artificial intelligence (AI). However, its current accuracy is generally less than the dominant software-based AI. The key to improving accuracy is to reduce the intrinsic randomness of memristive devices, emulating synapses in the brain for neuromorphic computing. Here using a planar device as a model system, the controlled formation of conduction channels is achieved with high oxygen vacancy concentrations through the design of sharp protrusions in the electrode gap, as observed by X-ray multimodal imaging of both oxygen stoichiometry and crystallinity. Classical molecular dynamics simulations confirm that the controlled formation of conduction channels arises from confinement of the electric field, yielding a reproducible spatial distribution of oxygen vacancies across switching cycles. Furthermore, this work demonstrates an effective route to control the otherwise random electroforming process by electrode design, facilitating the development of more accurate memristive devices for neuromorphic computing.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Redox Gating for Colossal Carrier Modulation and Unique Phase Control

Redox gating, a novel approach distinct from conventional electrolyte gating, combines reversible redox functionalities with common ionic electrolyte moieties to engineer charge transport, enabling power-efficient electronic phase control. This study achieves a colossal sheet carrier density modulation beyond 10 16 cm -2 , sustainable over thousands of cycles, all within the sub-volt regime for functional oxide thin films. The key advantage of this method lies in the controlled injection of a large quantity of carriers from the electrolyte into the channel material without the deleterious effects associated with traditional electrolyte gating processes such as the production of ionic defects or intercalated species. The redox gating approach offers a simple and practical means of decoupling electrical and structural phase transitions, enabling the isostructural metal-insulator transition and improved device endurance. The versatility of redox gating extends across multiple materials, irrespective of their crystallinity, crystallographic orientation, or carrier type (n- or p-type). This inclusivity encompasses functional heterostructures and low-dimensional quantum materials composed of sustainable elements, highlighting the broad applicability and potential of the technique in electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Design-to-Device Approach Affords Panchromatic Co-sensitized Solar Cells

Data–driven materials discovery has become increasingly important in identifying materials that exhibit specific, desirable properties from a vast chemical search space. Synergic prediction and experimental validation are needed to accelerate scientific advances related to critical societal applications. A design–to–device study that uses high–throughput screens with algorithmic encodings of structure–property relationships is reported to identify new materials with panchromatic optical absorption, whose photovoltaic device applications are then experimentally verified. The data–mining methods source 9431 dye candidates, which are auto–generated from the literature using a custom text–mining tool. These candidates are sifted via a data–mining workflow that is tailored to identify optimal combinations of organic dyes that have complementary optical absorption properties such that they can harvest all available sunlight when acting as co–sensitizers for dye–sensitized solar cells (DSSCs). Six promising dye combinations are shortlisted for device testing, whereupon one dye combination yields co–sensitized DSSCs with power conversion efficiencies comparable to those of the high–performance, organometallic dye, N719. Here, these results demonstrate how data–driven molecular engineering can accelerate materials discovery for panchromatic photovoltaic or other applications.

14 SOLAR ENERGY↗
DOE OSTI2024

Intrinsic and environmental drivers of pairwise cohesion in wild Canis social groups

Animals within social groups respond to costs and benefits of sociality by adjusting the proportion of time they spend in close proximity to other individuals in the group (cohesion). Variation in cohesion between individuals, in turn, shapes important group-level processes such as subgroup formation and fission–fusion dynamics. Although critical to animal sociality, a comprehensive understanding of the factors influencing cohesion remains a gap in our knowledge of cooperative behavior in animals. We tracked 574 individuals from six species within the genus Canis in 15 countries on four continents with GPS telemetry to estimate the time that pairs of individuals within social groups spent in close proximity and test hypotheses regarding drivers of cohesion. Pairs of social canids (Canis spp.) varied widely in the proportion of time they spent together (5%–100%) during seasonal monitoring periods relative to both intrinsic characteristics and environmental conditions. The majority of our data came from three species of wolves (gray wolves, eastern wolves, and red wolves) and coyotes. For these species, cohesion within social groups was greatest between breeding pairs and varied seasonally as the nature of cooperative activities changed relative to annual life history patterns. Across species, wolves were more cohesive than coyotes. For wolves, pairs were less cohesive in larger groups, and when suitable, small prey was present reflecting the constraints of food resources and intragroup competition on social associations. Pair cohesion in wolves declined with increased anthropogenic modification of the landscape and greater climatic variability, underscoring challenges for conserving social top predators in a changing world. We show that pairwise cohesion in social groups varies strongly both within and across Canis species, as individuals respond to changing ecological context defined by resources, competition, and anthropogenic disturbance. Our work highlights that cohesion is a highly plastic component of animal sociality that holds significant promise for elucidating ecological and evolutionary mechanisms underlying cooperative behavior.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Timing and duration of hydrological transitions in Arctic polygonal ground from stable isotopes

Land surface models and Earth system models that include Arctic landscapes must capture the abrupt hydrological transitions that occur during the annual thaw and deepening of the active layer. In this work, stable water isotopes (δ 2 H and δ 18 O) are used to appraise hydrologically significant transitions during annual landscape thaw at the Barrow Environmental Observatory (Utqia&#289vik, Alaska). These hydrologically significant periods are then linked to annual shifts in the landscape energy balance, deduced from meteorological data and described by the microclimatic periods: Winter, Pre-Melt, Melt, Post-Melt, Summer, and Freeze-Up. The tight coupling of the microclimatic periods with the hydrological transitions supports the use of microclimatic periods as a means of linking polygonal surface water hydrology to meteorological datasets, which provides a mechanism for improving the representation of polygonal surface water hydrology in process-based models. Rayleigh process reconstruction of the isotopic changes revealed that 19% of winter precipitation was lost to sublimation prior to melting and that 23% of surface water was lost to evaporation during the first 10 days post-melt. This agrees with evaporation rates reported in a separate study using an eddy covariance flux tower located nearby. An additional 17% was lost to evaporation during the next 33 days. Stable water isotopes are also used to identify the dominant sources of surface water to various hydrogeomorphological features prevalent in polygonal terrain (a lake, a low centre polygon centre, troughs within the rims of low centre polygons, flat centre polygon troughs, a high centre polygon trough, and drainages). Hydrogeomorphologies that retained significant old water or acted as snow drifts are isotopically distinct during the Melt Period and therefore are easily distinguished. Finally, biogeochemical changes related to the annual thaw are also reported and coupled to the hydrological transitions, which provides insight into the sources and sinks of these ions to and from the landscape.

stable water isotopes↗
DOE OSTI2022

Chemostatic concentration–discharge behaviour observed in a headwater catchment underlain with discontinuous permafrost

Concentration–discharge dynamics were evaluated in a small (~ 2.25 km2) headwater catchment underlain with discontinuous permafrost on the Seward Peninsula of western Alaska. A large storm, during which 48 mm of rain fell over a 24-h period, enabled the evaluation of solute concentration–discharge response to a sizeable hydrological event, while water stable isotopes enabled an appraisal of the contributions of event water. Under normal catchment conditions, chemostatic behaviour was observed for solutes typically derived from mineral weathering (e.g. calcium, magnesium, sodium and silica). The chemostatic behaviour observed for most solutes under normal catchment conditions indicated that catchment storage and residence times are sufficiently long for many solute generating reactions to approach equilibrium. Following the storm however, most solutes exhibited dilutive and highly variable behaviour. This likely indicated the exceedance of a discharge threshold where chemostatic behaviour could no longer be maintained for most solutes. Dissolved organic carbon and silica were the only solutes monitored to exhibit chemostatic behaviour during all time periods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Modeling Protein–Protein and Protein–Ligand Interactions by the ClusPro Team in CASP16

ABSTRACT In the CASP16 experiment, our team employed hybrid computational strategies to predict both protein–protein and protein–ligand complex structures. For protein–protein docking, we combined physics‐based sampling—using ClusPro FFT docking and molecular dynamics—with AlphaFold (AF)‐based sampling, followed by AF‐based refinement. Our method produced numerous high‐accuracy complex models, including cases where AF alone failed, underscoring the critical role of physics‐based sampling alongside deep learning‐based refinement. For protein–ligand docking, we integrated the ClusPro LigTBM template‐based approach with a machine learning‐based confidence model for rescoring. The method preserves conserved interaction fragments derived from homologous complexes, followed by local resampling using physics‐based sampling and a diffusion model. Our template‐based strategy achieved a mean lDDT‐PLI of 0.69 across 233 targets, which was highly competitive. These results demonstrate that combining physics‐based modeling with AI‐driven refinement can significantly enhance the accuracy of both protein–protein and protein–ligand structure predictions.

Ashizawa, Ryota [Department of Applied Mathematics↗
DOE OSTI2023

Expansion of smallmouth bass distribution and habitat overlap with juvenile Chinook salmon in the Willamette River, Oregon

Abstract Smallmouth bass populations have expanded far beyond their native range and these predatory fish present a pervasive threat to native aquatic species throughout North America. In the western United States, smallmouth bass are now present in river and reservoir habitats where Pacific salmon are found and are considered a potential threat to salmon recovery in many locations. We conducted a study to determine if smallmouth bass are expanding their range in the mainstem Willamette River, Oregon, and developed a model to assess habitat overlap between smallmouth bass and juvenile Chinook salmon. Sampling during 2011–2022 revealed that the distribution of smallmouth bass had expanded throughout that timeframe to encompass the entire mainstem Willamette River, including important rearing habitats for juvenile Chinook salmon. The model predicted that smallmouth bass and juvenile Chinook salmon habitat overlap was substantial, highlighting the need for additional research to evaluate for potential negative impacts to salmon recovery in the basin. The model was also used to evaluate the efficacy of using flow management to reduce interactions between these two species, but the scenarios we examined suggested that this was not a viable option. These results highlight the need for continued research to assess interactions between smallmouth bass and juvenile salmon, and other native species of concern, in the Willamette River Basin. The development of the model is useful for resource managers to understand interactions between these species to prioritize locations for sampling in the future.

White, James S.↗
DOE OSTI2017

Intelligent Weld Manufacturing: Role of Integrated Computational Welding Engineering

A master welder uses his sensory perceptions to evaluate the process and connect them with his/her knowledge base to take the necessary corrective measures with his/her acquired skills to make a good weld. All these actions must take place in real time. Success depends on intuition and skills, and the procedure is labor-intensive and frequently unreliable. The solution is intelligent weld manufacturing. The ultimate goal of intelligent weld manufacturing would involve sensing and control of heat source position, weld temperature, weld penetration, defect formation and ultimately control of microstructure and properties. This involves a solution to a problem (welding) with many highly coupled and nonlinear variables. The trend is to use an emerging tool known as intelligent control. This approach enables the user to choose a desirable end factor such as properties, defect control, or productivity to derive the selection of process parameters such as current, voltage, or speed to provide for appropriate control of the process. Important elements of intelligent manufacturing are sensing and control theory and design, process modeling, and artificial intelligence. Significant progress has been made in all these areas. Integrated computational welding engineering (ICWE) is an emerging field that will aid in the realization of intelligent weld manufacturing. The paper will discuss the progress in process modeling, microstructure, properties, and process control and automation and the importance of ICWE. Also, control and automation strategies for friction stir welding will be discussed.

42 ENGINEERING↗
DOE OSTI2021

Flame stability analysis of flame spray pyrolysis by artificial intelligence

Flame spray pyrolysis (FSP) is a process used to synthesize nanoparticles through the combustion of an atomized precursor solution; this process has applications in catalysts, battery materials, and pigments. Current limitations revolve around understanding how to consistently achieve a stable flame and the reliable production of nanoparticles. Machine learning and artificial intelligence algorithms that detect unstable flame conditions in real time may be a means of streamlining the synthesis process and improving FSP efficiency. In this study, the FSP flame stability is first quantified by analyzing the brightness of the flame's anchor point. This analysis is then used to label data for both unsupervised and supervised machine learning approaches. The unsupervised learning approach allows for autonomous labeling and classification of new data by representing data in a reduced dimensional space and identifying combinations of features that most effectively cluster it. The supervised learning approach, on the other hand, requires human labeling of training and test data but is able to classify multiple objects of interest (such as the burner and pilot flames) within the video feed. The accuracy of each of these techniques is compared against the evaluations of human experts. Both the unsupervised and supervised approaches can track and classify FSP flame conditions in real time to alert users of unstable flame conditions. This research has the potential to autonomously track and manage flame spray pyrolysis as well as other flame technologies by monitoring and classifying the flame stability.

42 ENGINEERING↗
DOE OSTI2017

The effect of the MJO on the energetics of El Niño

The energy budget of the Pacific Ocean is evaluated in the Super-Parameterized Community Climate Model version 4 (SP-CCSM4) on intraseasonal time scales. The budget terms are decomposed to isolate the MJO influence and the ocean current associated with Kelvin waves. Using this decomposition, one can distinguish between El Niño events with strong and weak MJO influence. Composites of El Niño events based on the wind power component associated with the MJO induced wind stress and oceanic Kelvin waves ( WMJO,K ) are compared with composites based only on the atmospheric variability and based only on the oceanic variability. It was found that the composite of events when WMJO,K is near maximum (+ NMJO,K) shows a greater magnitude of mean perturbation wind power, buoyancy power, and available potential energy than any other case, which is consistent with the greater amplitude Kelvin wave perturbations on the thermocline, as well as the greater amplitude of SST anomalies at the peak of the event. For + NMJO,K, latent heat flux anomalies out of the ocean along the coast of New Guinea are seen coincident with deepening of the mixed layer depth there, suggesting that this is an important region for the thermodynamic influence of the MJO on the ocean. Latent heat flux anomalies into the ocean are seen across the ITCZ in the spring, suggesting a basin wide influence by the MJO on the ocean surface radiation budget in + NMJO,K.

Meteorology & Atmospheric Sciences↗
DOE OSTI2018

Thermal Links and Microstrip Transmission Lines in SPT-3G Bolometers

In this work, we have measured the properties of membrane-suspended bolometer thermal links and microstrip transmission lines in the transition-edge sensor arrays for the third-generation camera for South Pole Telescope (SPT-3G). A promising technique for controlling the end point of the release etch that defines the thermal link has been developed. We have also evaluated the microstrip loss in our detectors by measuring the optical efficiency of detectors with different lengths of microstrip line. The loss tangent is sufficiently low for the use in multi-chronic pixels for cosmic microwave background instruments like SPT-3G.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗