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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Role of Oxidizing Conditions in the Dispersion of Supported Platinum Nanoparticles Explored by Ab Initio Modeling

Achieving fine control over the dispersion of supported platinum nanoparticles (Pt) is a promising avenue to enhancing their catalytic activity and selectivity. Experimental observations suggest that exposing ceria-supported Pt nanoparticles to O 2 at 500 °C promotes their dispersion into smaller particles and eventually single atoms. The exact role of oxygen in this process is not yet well understood. Past density functional theory studies of ceria-supported Pt have typically narrowed their scope to single atoms and clusters of a few atoms. Herein, we combine several approaches and types of models in a consistent atomistic framework to evaluate the relative stability of ceria-supported Pt as a function of the degree of oxidation of Pt and of the particle size, ranging from single atoms to nanoparticles 1.5 nm of diameter. Finally, we find that the largest nanoparticles remain the thermodynamically most stable species on the lowest energy facet of ceria even under oxidizing conditions, suggesting that stronger adsorption sites are required to stabilize smaller clusters and single atoms and promote oxidative dispersion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

The use of activity-based cost estimation as a management tool for cultural change

It will be shown that the greatest barrier to American exploration of the planet Mars is not the development of the technology needed to deliver humans and return them safely to earth. Neither is it the cost of such an undertaking, as has been previously suggested, although certainly, such a venture may not be inexpensive by some measures. The predicted costs of exploration have discouraged serious political dialog on the subject. And, in fact, even optimistic projections of the NASA budget do not contain the resources required, under the existing development and management paradigm, for human space exploration programs. It will be demonstrated that the perception of the costs of such a venture, and the cultural responses to the perceptions are factors inhibiting American exploration of the moon and the planet Mars. Cost models employed in the aerospace industry today correctly mirror the history of past space programs, and as such, are representative of the existing management and development paradigms. However, if, under this current paradigm no major exploration programs are feasible, then cost analysis methods based in the past may not have great utility in exploring the needed cultural changes. This paper explores the use of a new type of model, the activity based cost model, which will treat management style as an input variable, in a sense providing a tool whereby a complete, affordable program might be designed, including both the technological and management aspects.

Mandell, Humboldt↗
NASA NTRS1993

(abstract) Monitoring Seasonal State and Mapping Species in Alaskan Taiga Using Imaging Radar as Input to CO(sub 2) Flux Models

Changes in the seasonal CO(sub 2) flux of the boreal forests may result from increased atmospheric CO(sub 2) concentrations and associated atmospheric warming. To monitor this potential change, a combination of remote sensing information and ecophysiological models are required. In this paper we address the use of synthetic aperture radar (SAR) data to provide some of the input to the ecophysiological models: forest type, freeze/thaw state which limits the growing season for conifers, and leaf on/off state which limits the growing season for deciduous species. AIRSAR data collected in March 1988 during an early thaw event and May 1991 during spring breakup are used to generate species maps and to determine the sensitivity of SAR to canopy freeze/thaw transitions. These data are also used to validate a microwave scattering model which is then used to determine the sensitivity of SAR to leaf on/off and soil freeze/thaw transitions. Finally, a CO(sub 2) flux algorithm which utilizes SAR data and an ecophysiological model to estimate CO(sub 2) flux is presented. CO(sub 2) flux maps are generated from which areal estimates of CO(sub 2) flux are derived.

leaf cover boreal forests radar backscatter↗
NASA NTRSDate not supplied

Impact of Space Radiation with Other Combined Space Environmental Factors on Plant Seeds and Plant Development: from Arabidopsis thaliana to Crops

One of the major concerns for long-term exploration missions beyond Earth’s magnetosphere is radiation risk, primarily from solar particle events (SPE) and galactic cosmic rays (GCR). With the goal of manned Mars exploration, the production of fresh food during long-duration space missions provides critical nutritional supplementation and may also benefit astronauts’ behavioral health. However, the effects of space radiation on plants and plant propagules have not been sufficiently investigated and characterized. To evaluate the effects of space radiation on plant seeds and development, we explored several platforms, including ground-based radiation facilities, the MISSE platform outside the ISS, and other Low Earth Obit (LEO) opportunities. Radiation particle types ranged from neutrons, single charged particles, simulated galactic cosmic rays, simulated solar particle events, the radiation field outside the ISS (total 10 months on the ISS), and the field inside a LEO vehicle (over 3 years). Radiation doses ranged from around 10 cGy to 80 cGy with acute or chronic exposures. In these studies up to 15 types of model plant and crop seeds were evaluated. In addition, tests were conducted to determine whether the combination of radiation exposure and simulated microgravity could have synergetic effects. Exposure to space radiation at the levels tested had no significant impact on the germination rate in Arabidopsis and the seeds from multiple crop plants; however, radiation exposure alone or with other combined factors reduced the viability of some seed types. Overall, the changes within plants grown from irradiated seeds were dose- and ion quality- dependent, with heavier ions causing more severe damage. These changes ranged from cotyledon deformation, shortened root length, smaller seedling size, and other signs of stress, depending on the seed types. Radiation exposure also significantly altered transcriptomic profiles in seedlings grown from irradiated seeds. The impact of space radiation on seeds and plants potentially affects the ability of plants to adapt to other environmental stresses (e.g. microgravity, water stress, and hardware constraints) as well as susceptibility to plant diseases, which need to be furtherly investigated.

Y Zhang↗
NASA NTRS1974

The prediction of structural response to buffet flow: A state-of-the-art review

Certain aspects of the dynamic system being discussed are reviewed and important structural and aerodynamic quantities of the system are discussed. A theoretical model is presented which relates these quantities to each other. These quantities are then each, in turn, considered in terms of the state of the art of determining the quantities and in terms of areas where further research is needed. The similarity laws and scaling relationships applicable to determining buffet structural response are then discussed, and areas where simplification is required or may be permissible are mentioned. Finally, the various types of model tests pertinent to predicting response of the aircraft structure to buffet flow are discussed.

Hanson, P. W.↗
DOE OSTI2024

PyTorch Implementation of Log-Additive Convolutional Neural Networks

This code is a collection of python code that defines, trains, and tests Log-Additive Convolutional Neural Networks. The model components and training routine are based on the PyTorch python library. The code implements the Log-Additive Convolutional Neural Networks as described in Pagendam et al. 2023. In addition to the Log-Additive Convolutional Neural Networks, this library also defines the Log-Normal Density loss function as described in Pagendam et al. 2023. Code from this paper is not publicly available, so the Pytorch implementation of this type of model is unique to this library.

Callis, Skylar↗
NASA NTRS2007

The Chaotic Light Curves of Accreting Black Holes

We present model light curves for accreting Black Hole Candidates (BHC) based on a recently developed model of these sources. According to this model, the observed light curves and aperiodic variability of BHC are due to a series of soft photon injections at random (Poisson) intervals and the stochastic nature of the Comptonization process in converting these soft photons to the observed high energy radiation. The additional assumption of our model is that the Comptonization process takes place in an extended but non-uniform hot plasma corona surrounding the compact object. We compute the corresponding Power Spectral Densities (PSD), autocorrelation functions, time skewness of the light curves and time lags between the light curves of the sources at different photon energies and compare our results to observation. Our model reproduces the observed light curves well, in that it provides good fits to their overall morphology (as manifest by the autocorrelation and time skewness) and also to their PSDs and time lags, by producing most of the variability power at time scales 2 a few seconds, while at the same time allowing for shots of a few msec in duration, in accordance with observation. We suggest that refinement of this type of model along with spectral and phase lag information can be used to probe the structure of this class of high energy sources.

Kazanas, Demosthenes↗
DOE OSTI2020

Data Requirements for Application of Risk-Based Dynamic Contingency Analysis to Evaluate Hurricane Impact to Electrical Infrastructure in Puerto Rico

This paper presents a risk-based dynamic contingency analysis framework that was used to evaluate the hurricane impact to electrical infrastructure in Puerto Rico. PNNL developed a scalable risk-based framework for identifying high-voltage transmission resilience improvements by classifying and prioritizing high-risk power grid contingencies (system failures) under hurricane impact. The risk-based framework is founded on grid outage definitions with their associated probabilities of occurrence from hurricane events, in combination with an impact assessment derived from detailed dynamic cascading failure analysis. This paper focuses on a discussion around data requirements for transmission resilience planning for hurricane events, derived from the development of the risk-based framework and its application to Puerto Rico. This paper launches an important first step in encouraging the engineering community and power system industry to move towards establishing resilience planning as a routine practice. Since actual results for Puerto Rico contain sensitive information, sample simulation results will be used to illustrate the data requirements and risk-based dynamic cascading framework on the Puerto Rico power grid, as well as demonstrate the potential for such a simulation framework. The paper includes a discussion on the lessons learned, importance and need for improved datasets that are not usually considered in traditional power system planning. The paper will also elaborate on how the scalable simulation framework and datasets might be expanded to larger footprints and leveraged for modelling other types of natural disasters.

DCAT, Puerto Rico, hurricane, Power System Stabili↗
NASA NTRS1981

A proposal to conduct a Caribbean plate project involving the application of space technology to the study of Caribbean geology

The Caribbean plate project is designed to improve current understanding of geological resources and geological hazards within the Caribbean region. Models of mineral occurrence and genesis (including energy resources) on a regional scale, which contribute to nonrenewable resource investigations. Models of lithospheric stress and strain on a regional scale, which contribute to forecasting geological hazards such as earthquakes and major volcanic eruptions are developed. Geological information is synthesize, and research tools provided by space technology the study of the Earth's crust are used. The project was organized in a thematic fashion, to focus on specific geological aspects of the Caribbean plate which are considered to be key factors in developing the types of models described. The project adopts a synoptic perspective in seeking to characterize the three dimensional structure, composition, state of stress, and evolution of the entire Caribbean plate. Geological information derived from analysis of space acquired data is combined with information provided by conventional methods to obtain insight into the structure, composition, and evolution of the Earth's crust. In addition, very long baseline interferometry and laser ranging techniques, which are also based upon the use of space technology, obtain information concerning crustal motion that, in turn, provides insight into the distribution and localization of crustal stress.

Wadge, G.↗
NASA NTRS1979

Elemental abundances in a type I SNR

The solid state spectrometer on the HEAO-2 X-ray observatory observed the X-ray spectrum of Tycho's SNR. The observations show a relative excess of line emission from Si, S, and Ar by or = 6 compared to that expected from a plasma of solar composition in collisional equilibrium and by a factor of or = 3 compared to Cas A. Similar excesses are not found for line emission from Mg and Fe. The data suggest that the SN observed by Tycho in 1572 produced significant amounts of Si group elements but did not eject large amounts of Fe as predicted by some models of Type I SN events.

Becker, R. H.↗
DOE OSTI2023

Hydrogen Bond Network Disruption by Hydration Layers in Water Solutions with Salt and Hydrogen-Bonding Polymers (PEO)

A mean field theory model describing the interaction of ion hydration layers with the network of hydrogen bonds of both water and the nonionic polymer poly(ethylene oxide) (PEO) is presented. The predictions of the model for types and statistics of hydrogen bonds, the number of water molecules bound to PEO, or their dependence on temperature are successfully verified from all-atom simulations at different NaCl and PEO concentrations. Furthermore, our simulations show that the binding of cations to PEO increases monotonically with salt concentration, in agreement with recent experimental results, through a mechanism in which the sum of the number of bound water and cations is independent of salt concentration. Here, the model introduced is general and can describe any salt or hydrogen-bond-forming polymer.

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

HydraGNN v4.0

The new version of HydraGNN v4.0 provides additional core capabilities, such as: Inclusion of multi-body atomistic cluster expansion MACE, polarizable atom interaction neural network PAINN, and equivariant principal neighborhood aggregation (PNAEq) among the message passing layers supported -Inclusion of graph transformers to directly model long-range interactions between nodes that are distant in the graph topology Integration of graph transformers with message passing layers by combining the graph embedding generated by the two mechanisms, which allows for an improved expressivity of the HydraGNN architecture Improved re-implementation of multi-task learning (MTL) to allow its use for stabilized training across imbalanced, multi-source, multi-fidelity data Introduction of multi-task parallelism, a newly proposed type of model parallelism specifically for MTL architectures, which allows to dispatch different output decoding heads to different GPU devices Integration of multi-task parallelism with pre-existing distributed data parallelism to enable a 2D parallelization for distributed training Improved portability of the distributed training across Intel GPUs, which has been testes on ALCF exascale supercomputer Aurora Inclusion of 2-level fine-grained energy profilers portable across NVIDIA, AMD, and Intel GPUs to monitor the power and energy consumption associated with different functions executed by the HydraGNN code during data pre-load and training Restructuring of previous examples and inclusion of new sets of examples to illustrate the download, preprocess, and training of HydraGNN models on new large-scale open-source datasets for atomistic materials modeling (e.g., Alexandria, Transition1x, OMat24, OMol25)

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗
NASA NTRS2015

How Difficult is it to Reduce Low-Level Cloud Biases With the Higher-Order Turbulence Closure Approach in Climate Models?

Low-level clouds cover nearly half of the Earth and play a critical role in regulating the energy and hydrological cycle. Despite the fact that a great effort has been put to advance the modeling and observational capability in recent years, low-level clouds remains one of the largest uncertainties in the projection of future climate change. Low-level cloud feedbacks dominate the uncertainty in the total cloud feedback in climate sensitivity and projection studies. These clouds are notoriously difficult to simulate in climate models due to its complicated interactions with aerosols, cloud microphysics, boundary-layer turbulence and cloud dynamics. The biases in both low cloud coverage/water content and cloud radiative effects (CREs) remain large. A simultaneous reduction in both cloud and CRE biases remains elusive. This presentation first reviews the effort of implementing the higher-order turbulence closure (HOC) approach to representing subgrid-scale turbulence and low-level cloud processes in climate models. There are two HOCs that have been implemented in climate models. They differ in how many three-order moments are used. The CLUBB are implemented in both CAM5 and GDFL models, which are compared with IPHOC that is implemented in CAM5 by our group. IPHOC uses three third-order moments while CLUBB only uses one third-order moment while both use a joint double-Gaussian distribution to represent the subgrid-scale variability. Despite that HOC is more physically consistent and produces more realistic low-cloud geographic distributions and transitions between cumulus and stratocumulus regimes, GCMs with traditional cloud parameterizations outperform in CREs because tuning of this type of models is more extensively performed than those with HOCs. We perform several tuning experiments with CAM5 implemented with IPHOC in an attempt to produce the nearly balanced global radiative budgets without deteriorating the low-cloud simulation. One of the issues in CAM5-IPHOC is that cloud water content is much higher than in CAM5, which is combined with higher low-cloud coverage to produce larger shortwave CREs in some low-cloud prevailing regions. Thus, the cloud-radiative feedbacks are exaggerated there. The turning exercise is focused on microphysical parameters, which are also commonly used for tuning in climate models. The results will be discussed in this presentation.

Xu, Kuan-Man↗
NASA NTRS1980

Elemental abundances in a Type I supernova remnant

The solid-state spectrometer (SSS) on the HEAO 2 (Einstein) X-ray observatory observed the X-ray spectrum of Tycho's SNR. The observations show a relative excess of line emission from Si, S, and Ar by not less than 6 compared to that expected from a plasma of solar composition in collisional equilibrium and by a factor of not less than 3 compared to Cas A. Similar excesses are not found for line emission from Mg and Fe. The data suggest that the SN observed by Tycho in 1572 produced significant amounts of Si group elements but did not eject large amounts of Fe as predicted by some models of Type I SN events.

Becker, R. H.↗
NASA NTRSDate not supplied

Multi-Domain Routing in Delay Tolerant Networks

The goal of Delay Tolerant Networking (DTN) is to provide the missing ingredient for the ever-growing collection of communicating nodes in our solar system to become a Solar System Internet (SSI). Great strides have been made in modeling particular types of DTNs, such as schedule- or discovery-based. Now, analogously to the Internet, these smaller DTNs can be considered routing domains which must be stitched together to form the overall SSI. In this paper, we propose a framework for cross-domain routing in DTNs as well as methodologies for detecting these sub-domains. Example time-varying networks are given to demonstrate the techniques proposed. A basic component is the mathematical theory of sheaves, which unifies the underlying model of DTN routing algorithms, by giving rise to routing sheaves – these can be defined for the dynamic and scheduled networks as noted above, and can also be used to define the interfaces between these domains in order to route across them. An immediate application would be routing across discovery-based networks connected by scheduled networks. These DTN subdomains remain elusive, however, and need to become well-defined and properly sized for tractable computability. In particular, a balance must be determined between areas that are too large (i.e. large matrix computations) versus areas that are too small (i.e. “many” single-noded domains). Moreover, the connections between the domains should, at least locally, be chosen to optimize data flow and connectivity: we address this in three ways. First, tools from persistent homology are given to understand underlying structures, reminiscent of hierarchies in the Internet Protocol (IP) addressing. Second, we construct a notion of temporal graph curvature based on network geometry to analyze flows induced by dynamical processes on these networks. Finally, Schrodinger Bridges, a tool arising from statistical physics, are proposed as a method of constructing flows on time-evolving networks with desirable properties such as speed, robustness, and load sensitivity. We construct an approach to temporal hypergraphs to simultaneously model unicast, multicast, and broadcast, using the language of scheme theory, and then consider DTN network coding as a way to achieve network-level computation and organization. The paper concludes with a discussion and ideas for future work.

Alan Hylton↗
NASA NTRS1981

Computation of wind tunnel model deflections

The experimental deflections for a transport type solid wing model were measured for several single point load conditions. These deflections were compared with those obtained by structural modeling of the wing by using plate and solid elements of Structural Performance Analysis and Redesign (SPAR) program. The solid element representation of the wing showed better agreement with the experimental deflections than the plate representation. The difference between the measured and calculated deflections is about 5 percent.

Mehrotra, S. C.↗
NASA NTRS1988

Hard X-ray emission from a type 2 Seyfert galaxy (NGC 1068)

Exosat observations of the type 2 Seyfert galaxy NGC 1068 have detected a source in the 2-10 KeV range with a flux density at 2 keV of 0.6 micron-Jy. It has a flat power-law spectrum similar to type 1 Seyferts. Combined with Low Energy Exosat filter data and Einstein IPC observations, these data show that spectral curvature is necessary, flattening the X-ray spectrum to high energies. The spectrum can be decomposed into two components: a steep low-energy part and a flat high-energy part. Any intrinsic absorption is small. There is no evidence for variability within or between any of the observations, which sample time scales from 30 minutes to 4 yr. These data support the 'obscuration' model of type 2 Seyfert galaxies in which the nucleus is seen only in flux scattered from above a 'wall' of material that completely blocks the direct view.

Elvis, Martin↗
NASA NTRS1985

Theoretical Thermodynamics of Mixtures at High Pressures

The development of an understanding of the chemistry of mixtures of metallic hydrogen and abundant, higher-z material such as oxygen, carbon, etc., is important for understanding of fundamental processes of energy release, differentiation, and development of atmospheric abundances in the Jovian planets. It provides a significant theoretical base for the interpretation of atmospheric elemental abundances to be provided by atmospheric entry probes in coming years. Significant differences are found when non-perturbative approaches such as Thomas-Fermi-Dirac (TFD) theory are used. Mapping of the phase diagrams of such binary mixtures in the pressure range from approx. 10 Mbar to approx. 1000 Mbar, using results from three-dimensional TFD calculations is undertaken. Derivation of a general and flexible thermodynamic model for such binary mixtures in the relevant pressure range was facilitated by the following breakthrough: there exists an accurate nd fairly simple thermodynamic representation of a liquid two-component plasma (TCP) in which the Helmholtz free energy is represented as a suitable linear combination of terms dependent only on density and terms which depend only on the ion coupling parameter. It is found that the crystal energies of mixtures of H-He, H-C, and H-O can be satisfactorily reproduced by the same type of model, except that an effective, density-dependent ionic charge must be used in place of the actual total ionic charge.

Hubbard, W. B.↗