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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A Multi-Function AAA Algorithm Applied to Frequency Dependent Line Modeling

Modeling of power distribution system components that are valid for a wide range of frequencies are crucial for highly accurate modeling of electromagnetic transient (EMT) events. This has recently become of interest due to the improvements needed for the resilient operation of distribution systems. Vector fitting (VF) is a very popular and commonly used algorithm for wide band representations of power system components in EMT simulations. In this research, we present a new multi-input rational approximation algorithm (MIAAA) and illustrate its advantages with respect to VF using examples of approximations of admittance matrices discussed in the literature. We show that MIAAA not only outperforms VF in terms of achieving better accuracy using lesser number of poles, but also has no numerical issues achieving convergence. In contrast to VF, MIAAA is not sensitive to the location of input sample points and it does not require good estimates for the location of the desired approximation poles. The novelty of this research work is the use of recent mathematical results to solve existing challenges in distribution system modeling and to develop rational approximations for power system models that intend to be optimal in terms of accuracy and performance.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2024

Approaching periodic systems in ensemble density functional theory via finite one-dimensional models

Ensemble density functional theory (EDFT) is a generalization of ground-state DFT, which is based on an exact formal theory of finite collections of a system's ground and excited states. EDFT in various forms has been shown to improve the accuracy of calculated energy level differences in isolated model systems, atoms, and molecules, but it is not yet clear how EDFT could be used to calculate band gaps for periodic systems. We extend the application of EDFT toward periodic systems by estimating the thermodynamic limit with increasingly large finite one-dimensional 'particle in a box' systems, which approach the uniform electron gas (UEG). Using ensemble-generalized Hartree and local spin density approximation exchange-correlation functionals, we find that corrections go to zero in the infinite limit, as expected for a metallic system. However, there is a correction to the effective mass, with results comparable to other calculations on 1D, 2D, and 3D UEGs, which indicates promise for non-trivial results from EDFT on periodic systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Metagenome-assembled genome extraction and analysis from microbiomes using KBase

Uncultivated Bacteria and Archaea account for the vast majority of species on Earth, but obtaining their genomes directly from the environment, using shotgun sequencing, has only become possible recently. In order to realize the hope of capturing Earth’s microbial genetic complement and to facilitate the investigation of the functional roles of specific lineages in a given ecosystem, technologies that accelerate the recovery of high-quality genomes are necessary. We present a series of analysis steps and data products for the extraction of high-quality metagenome-assembled genomes (MAGs) from microbiomes using the U.S. Department of Energy Systems Biology Knowledgebase (KBase) platform (http://www.kbase.us/). Overall, these steps take about a day to obtain extracted genomes when starting from smaller environmental shotgun read libraries, or up to about a week from larger libraries. In KBase, the process is end-to-end, allowing a user to go from the initial sequencing reads all the way through to MAGs, which can then be analyzed with other KBase capabilities such as phylogenetic placement, functional assignment, metabolic modeling, pangenome functional profiling, RNA-Seq and others. While portions of such capabilities are available individually from other resources, the combination of the intuitive usability, data interoperability and integration of tools in a freely available computational resource makes KBase a powerful platform for obtaining MAGs from microbiomes. While this workflow offers tools for each of the key steps in the genome extraction process, it also provides a scaffold that can be easily extended with additional MAG recovery and analysis tools, via the KBase software development kit (SDK).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Solving the Orszag–Tang vortex magnetohydrodynamics problem with physics-constrained convolutional neural networks

We study the 2D Orszag–Tang vortex magnetohydrodynamics (MHD) problem through the use of physics-constrained convolutional neural networks (PCNNs) for forecasting the density, ρ, and the magnetic field, B, as well as the prediction of B given the velocity field v of the fluid. In addition to translation equivariance from the convolutional architecture, other physics constraints were embedded: absence of magnetic monopoles, non-negativity of ρ, use of only relevant variables, and the periodic boundary conditions of the problem. The use of only relevant variables and the hard constraint of non-negative ρ were found to facilitate learning greatly. The divergenceless condition ∇·B=0 was implemented as a hard constraint up to machine precision through the use of a magnetic potential to define B=∇×A. Residual networks and data augmentation were also used to improve performance. This allowed for some of the residual models to function as surrogate models and provide reasonably accurate simulations. For the prediction task, the PCNNs were evaluated against a physics-informed neural network, which had the ideal MHD induction equation as a soft constraint. Several models were able to generate highly accurate fields, which are visually almost indistinguishable and have low mean squared error. Only methods with built-in hard constraints produced physical fields with ∇·B=0. The use of PCNNs for MHD has the potential to produce physically consistent real-time simulations to serve as virtual diagnostics in cases where inferences must be made with limited observables.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Optical fields in porous polylactide matrices

Optical fields induced by laser light inside porous polymer matrices (scaffolds) under stimulating effect on cells are investigated. The spectra of light scattering coefficients and anisotropy factors of porous polylactide scaffolds in the visible and near-IR ranges are determined by numerical simulation based on experimental data obtained using a double integrating sphere. Studies are conducted for dry and wet scaffolds fabricated by supercritical fluid foaming and surface-selective laser sintering. The Monte Carlo method is used to calculate the fluence rate distribution under the assumptions of the Henyey – Greenstein phase scattering function and the model phase function of scattering on spherical cavities. It is shown that th e fluence rate distribution mainly depends on the scattering coefficient and the mean cosine of the deflection angle (g-factor). The results obtained are of great practical importance for tissue engineering based on the use of polymeric porous scaffolds with cells to replace tissue defects; they can be used to determine the dose range for laser stimulation of cells. (paper)

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Late day measurement of excised branches results in uncertainty in the estimation of two stomatal parameters derived from response curves in Populus deltoides Bartr. x Populus nigra L.

Many terrestrial biosphere models depend on an understanding of the relationship between stomatal conductance and photosynthesis. However, unlike the measurement of photosynthetic parameters, such as the maximum carboxylation capacity, where standard methods (e.g., CO 2 response or ACi curves) are widely accepted, a consensus method for empirically measuring parameters representing stomatal response has not yet emerged. Most models of stomatal response to environment represent stomatal conductance as being bounded by a lower intercept parameter (g 0 ), and linearly scaled based on a multivariate term described by the stomatal slope parameter (g 1 ). Here we employ the widely used Unified Stomatal Optimization model, to test whether g 1 and g 0 parameters are impacted by the choice of measurement method, either on an intact branch, or a cut branch segment stored in water. We measured paired stomatal response curves on intact and excised branches of a hybrid poplar clone (Populus deltoides Bartr. x Populus nigra L. OP367), measured twice over a diurnal period. We found that predawn branch excision did not significantly affect measured g 0 and g 1 when measured within 4 h of excision. Measurement in the afternoon resulted in significantly higher values of g 1 and lower values of g0, with values changing by 55% and 56% respectively. Excision combined with afternoon measurement resulted in a marked effect on parameter estimates, with g1 increasing 89% from morning to afternoon and a 25% lower g 1 for cut branches than those measured in situ. We also show that in hybrid poplar the differences in parameter estimates obtained from plants measured under different conditions can directly impact models of canopy function, reducing modeled transpiration by 18% over a simulated 12.5-hour period. While these findings are only for a single isohydric woody species, our findings suggest that stomatal optimality parameters may not remain constant throughout the day.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Accuracy of ghost rotationally invariant slave-boson and dynamical mean field theory as a function of the impurity-model bath size

Here, we compare the accuracy of the ghost rotationally invariant slave-boson (g-RISB) theory and dynamical mean field theory (DMFT) on the single-band Hubbard model, as a function of the number of bath sites in the embedding impurity Hamiltonian. Our benchmark calculations confirm that the accuracy of g-RISB can be systematically improved by increasing the number of bath sites, similar to DMFT. With a few bath sites, we observe that g-RISB is systematically more accurate than DMFT for the ground-state observables. On the other hand, the relative accuracy of these methods is generally comparable for the quasiparticle weight and the spectral function. As expected, we observe that g-RISB satisfies the variational principle in infinite dimensions, as the total energy decreases monotonically towards the exact value as a function of the number of bath sites, suggesting that the g-RISB wave function may approach the exact ground state in infinite dimensions. Our results suggest that the g-RISB is a promising method for first-principles simulations of strongly correlated matter, which can capture the behavior of both static and dynamical observables, at a relatively low computational cost.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Universal Input-Output Model of GFM Functions and Data-Driven Verification Methods

An overarching goal of the UNiversal Interoperability for grid-Forming Inverters (UNIFI) Consortium is to develop vendor agnostic specifications and guidelines that ensure interoperability of gridforming (GFM) inverter-based resources (IBRs) without requiring vendors or system operators to reveal proprietary information. These UNIFI principles and specifications are envisioned to apply to a wide range of technologies and systems. The initial work on the UNIFI principles and specifications has focused on performance requirements and high-level aspirational principles outlined in [1]. Going forward, a key question is how to translate such high-level requirements and principles into rigorous specifications that can be enforced and validated for a wide range of IBRs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Genome Extraction from Shotgun Metagenome Sequence Data

Uncultivated Bacteria and Archaea comprise the vast majority of species on Earth, but obtaining their genomes directly from the environment, using shotgun sequencing, has only recently become possible. To realize the hope of capturing Earth’s microbial genetic complement, technologies that accelerate recovery of high-quality genomes are necessary. We present a series of analysis steps and data products for the extraction of high quality metagenome-assembled genomes (MAGs) from microbiomes using the U.S. Department of Energy Systems Biology Knowledgebase (KBase) platform (http://www.kbase.us/). In KBase, the process is end-to-end, allowing a user to go from the initial sequencing reads all the way through to MAG genomes, which can then be analyzed with other KBase capabilities such as phylogenetic placement, functional assignment, metabolic modeling, pangenome functional profiling, RNA-Seq, and others. While portions of such capabilities are individually available from other resources, the combination of the intuitive usability, data interoperability, and integration of tools in a freely available compute resource makes KBase a uniquely powerful platform for obtaining MAGs from microbiomes. While this workflow offers tools for each of the key steps in the genome extraction process, it also provides a scaffold that can be easily extended, with additional MAG recovery and analysis tools, via the KBase SDK (Software Development Kit).

Chivian, Dylan↗
DOE OSTI2021

Moab Desert Crust - Sample 4E

Uncultivated Bacteria and Archaea comprise the vast majority of species on Earth, but obtaining their genomes directly from the environment, using shotgun sequencing, has only recently become possible. To realize the hope of capturing Earth’s microbial genetic complement, technologies that accelerate recovery of high-quality genomes are necessary. We present a series of analysis steps and data products for the extraction of high quality metagenome-assembled genomes (MAGs) from microbiomes using the U.S. Department of Energy Systems Biology Knowledgebase (KBase) platform (http://www.kbase.us/). In KBase, the process is end-to-end, allowing a user to go from the initial sequencing reads all the way through to MAG genomes, which can then be analyzed with other KBase capabilities such as phylogenetic placement, functional assignment, metabolic modeling, pangenome functional profiling, RNA-Seq, and others. While portions of such capabilities are individually available from other resources, the combination of the intuitive usability, data interoperability, and integration of tools in a freely available compute resource makes KBase a uniquely powerful platform for obtaining MAGs from microbiomes. While this workflow offers tools for each of the key steps in the genome extraction process, it also provides a scaffold that can be easily extended, with additional MAG recovery and analysis tools, via the KBase SDK (Software Development Kit).

Chivian, Dylan↗
NASA NTRS1982

Quiet Short-Haul Research Airplane (QSRA) model select panel functional description

The QSRA, when equipped with programmable color cathode ray tube displays, a head up display, a general purpose digital computer and a microwave landing system receiver, will provide a capability to do handling qualities studies and terminal area operating systems experiments as well as to enhance an experimenter's ability to obtain repeatable aircraft performance data. The operating systems experiments include the capability to generate minimum fuel approach and departure paths and to conduct precision approaches to a STOLport runway. The mode select panel is designed to provide both the flexibility needed for a variety of flight test experiments and the minimum workload operation required by pilots flying into congested terminal traffic areas.

Watson, D. M.↗