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NASA NTRS1992

Absorption of acoustic waves by sunspots. II - Resonance absorption in axisymmetric fibril models

Analytical calculations of acoustic waves scattered by sunspots which concentrate on the absorption at the magnetohydrodynamic Alfven resonance are extended to the case of a flux-tube embedded in a uniform atmosphere. The model is based on a flux-tubes of varying radius that are highly structured, translationally invariant, and axisymmetric. The absorbed fractional energy is determined for different flux-densities and subphotospheric locations with attention given to the effects of twist. When the flux is highly concentrated into annuli efficient absorption is possible even when the mean magnetic flux density is low. The model demonstrates low absorption at low azimuthal orders even in the presence of twist which generally increases the range of wave numbers over which efficient absorption can occur. Resonance absorption is concluded to be an efficient mechanism in monolithic sunspots, fibril sunspots, and plage fields.

Rosenthal, C. S.↗

NASA NTRSDate not supplied

Towards Integrated Computational Materials Engineering for Quantifying Performance Impacts of Microstructure and Defect Interactions in Powder Bed Fusion Parts

Powder bed fusion (PBF) additive manufacturing (AM) enables the creation of parts with complexity and functionality levels that were previously impossible with traditional manufacturing methods. By modifying the laser power, hatch spacing, or the numerous other processing parameters, the PBF process supports the production of a wide set of materials and geometries. However, that same process parameter design flexibility causes the process-design space of PBF to be massive and expensive to explore experimentally. Another challenge is quality variation across a build. As a part is being built, geometric variance between locations, such as at a thin-wall section vs. the bulk material, may cause the specified processing parameters to no longer be acceptable for producing defect-free printing. Furthermore, if the processing parameters deviate during the print process, it is difficult to assess if the part will still perform satisfactorily. Integrated Computational Materials Engineering (ICME) provides a way to understand and address these various challenges. This talk will present advancements in process-structure simulations of PBF at NASA Langley Research Center. The ability to simulate grain-scale PBF microstructures using the Physically Based Monte Carlo method will be demonstrated and compared to experimental measurements. Techniques for simulating three-dimensional lack-of-fusion and keyhole porosity defects based on the specific processing conditions and approaches for integrating the two porosity prediction techniques alongside the computational microstructure evolution models will be shown. Finally, the integration of simulated PBF microstructures, embedded process defects, and crystal plasticity finite element models to elucidate the interaction of porosity and microstructure on micromechanical fields will be demonstrated. These integrated techniques demonstrate an example of using ICME to relate processing to performance for PBF AM materials. With continued maturity, it is hoped that such ICME approaches will lead to next-generation computational-materials supported qualification and certification of AM parts.

Additive manufacturing↗

DOE OSTI2025

FluxRETAP: a REaction TArget Prioritization genome-scale modeling technique for selecting genetic targets

MOTIVATION: Metabolic engineering is rapidly evolving as a result of new advances in synthetic biology tools and automation platforms that enable high throughput strain construction, as well as the development of machine learning tools (ML) for biology. However, selecting genetic engineering targets that effectively guide the metabolic engineering process is still challenging. ML can provide predictive power for synthetic biology, but current technical limitations prevent the independent use of ML approaches without previous biological knowledge. RESULTS: Here, we present FluxRETAP, a simple and computationally inexpensive method that leverages the prior mechanistic knowledge embedded in genome-scale models for suggesting targets for genetic overexpression, downregulation or deletion, with the final goal of increasing the production of a desired metabolite. This method can provide a list of desirable engineering targets that can be combined with current ML pipelines. FluxRETAP captured 100% of reaction targets experimentally verified to improve Escherichia coli isoprenol production, 50% of targets that experimentally improved taxadiene production in E. coli and ∼60% of genetic targets from a verified minimal constrained cut-set in Pseudomonas putida, while providing additional high priority targets that could be tested. Overall, FluxRETAP is an efficient algorithm for identifying a prioritized list of testable genetic and reaction targets. AVAILABILITY AND IMPLEMENTATION: FluxRETAP is implemented in python and released under the creative commons license. The implementation and code are freely available at: https://github.com/JBEI/FluxRETAP.

Czajka, Jeffrey J↗

DOE OSTI2025

U-Surf: a global 1 km spatially continuous urban surface property dataset for kilometer-scale urban-resolving Earth system modeling

High-resolution urban climate modeling has faced substantial challenges due to the absence of a globally consistent, spatially continuous, and accurate dataset to represent the spatial heterogeneity of urban surfaces and their biophysical properties. This deficiency has long obstructed the development of urban-resolving Earth system models (ESMs) and ultra-high-resolution urban climate modeling, over large domains. Here, we present U-Surf, a first-of-its-kind 1 km resolution present-day (circa 2020) global continuous urban surface parameter dataset. Using the urban canopy model (UCM) in the Community Earth System Model as a base model for satisfying dataset requirements, U-Surf leverages the latest advances in remote sensing, machine learning, and cloud computing to provide the most relevant urban surface biophysical parameters, including radiative, morphological, and thermal properties, for UCMs at the facet and canopy level. Generated using a systematically unified workflow, U-Surf ensures internal consistency among key parameters, making it the first globally coherent urban canopy surface dataset. U-Surf significantly improves the representation of the urban land heterogeneity both within and across cities globally; provides essential, high-fidelity surface biophysical constraints to urban-resolving ESMs; enables detailed city-to-city comparisons across the globe; and supports next-generation kilometer-resolution Earth system modeling across scales. U-Surf parameters can be easily converted or adapted to various types of UCMs, such as those embedded in weather and regional climate models, as well as air quality models. The fundamental urban surface constraints provided by U-Surf can also be used as features for machine learning models and can have other broad-scale applications for socioeconomic, public health, and urban planning contexts. We expect U-Surf to advance the research frontier of urban system science, climate-sensitive urban design, and coupled human–Earth systems in the future. The dataset is publicly available at https://doi.org/10.5281/zenodo.11247598 (Cheng et al., 2024).

Cheng, Yifan [Univ. of Illinois at Urbana-Champaig↗

NASA NTRS2005

Mechanical Properties of Nanostructured Materials Determined Through Molecular Modeling Techniques

The potential for gains in material properties over conventional materials has motivated an effort to develop novel nanostructured materials for aerospace applications. These novel materials typically consist of a polymer matrix reinforced with particles on the nanometer length scale. In this study, molecular modeling is used to construct fully atomistic models of a carbon nanotube embedded in an epoxy polymer matrix. Functionalization of the nanotube which consists of the introduction of direct chemical bonding between the polymer matrix and the nanotube, hence providing a load transfer mechanism, is systematically varied. The relative effectiveness of functionalization in a nanostructured material may depend on a variety of factors related to the details of the chemical bonding and the polymer structure at the nanotube-polymer interface. The objective of this modeling is to determine what influence the details of functionalization of the carbon nanotube with the polymer matrix has on the resulting mechanical properties. By considering a range of degree of functionalization, the structure-property relationships of these materials is examined and mechanical properties of these models are calculated using standard techniques.

Clancy, Thomas C.↗

NASA NTRS2005

Skin-Stiffener Debond Prediction Based on Computational Fracture Analysis

Interlaminar fracture mechanics has proven useful for characterizing the onset of delaminations in composites and has been used with limited success primarily to investigate onset in fracture toughness specimens and laboratory size coupon type specimens. Future acceptance of the methodology by industry and certification authorities however, requires the successful demonstration of the methodology on structural level. For this purpose a panel was selected that is reinforced with stringers. Shear loading causes the panel to buckle and the resulting out-of-plane deformations initiate skin/stringer separation at the location of an embedded defect. For finite element analysis, the panel and surrounding load fixture were modeled with shell elements. A small section of the stringer foot and the panel in the vicinity of the embedded defect were modeled with a local 3D solid model. Across the width of the stringer foot the mixed-mode strain energy release rates were calculated using the virtual crack closure technique. A failure index was calculated by correlating the results with the mixed-mode failure criterion of the graphite/epoxy material. For small applied loads the failure index is well below one across the entire width. With increasing load the failure index approaches one first near the edge of the stringer foot from which delamination is expected to grow. With increasing delamination lengths the buckling pattern of the panel changes and the failure index increases which suggests that rapid delamination growth from the initial defect is to be expected.

Krueger, Ronald↗

NASA NTRS1989

Modelling of microwave emission and scattering from snow and soil

In the past a snow layer has been modeled as a homogeneous layer embedded with sparsely populated Rayleigh scatterers above an irregular ground surface. The effect of the ground surface can be ignored if the layer is sufficiently lossy due to wetness in the snow. The top surface of the snow layer may be treated as plane or irregular depending upon its actual shape and its wetness condition. For a dry snow condition where the electromagnetic wave can penetrate easily one can ignore the air-snow interface. As a result a variety of emission and scattering models exist. An improvement to the existing scattering or emission model would consist of an irregular layer with densely populated correlated scatterers. The development of this model and its application to scattering and emission from a snow layer are discussed. Also disucssed is a surface scattering model for a soil surface.

Fung, Adrian K.↗

NASA NTRS2012

Simulation of the Intraseasonal Variability over the Eastern Pacific ITCZ in Climate Models

During boreal summer, convective activity over the eastern Pacific (EPAC) inter-tropical convergence zone (ITCZ) exhibits vigorous intraseasonal variability (ISV). Previous observational studies identified two dominant ISV modes over the EPAC, i.e., a 40-day mode and a quasi-biweekly mode (QBM). The 40-day ISV mode is generally considered a local expression of the Madden-Julian Oscillation. However, in addition to the eastward propagation, northward propagation of the 40-day mode is also evident. The QBM mode bears a smaller spatial scale than the 40-day mode, and is largely characterized by northward propagation. While the ISV over the EPAC exerts significant influences on regional climate/weather systems, investigation of contemporary model capabilities in representing these ISV modes over the EPAC is limited. In this study, the model fidelity in representing these two dominant ISV modes over the EPAC is assessed by analyzing six atmospheric and three coupled general circulation models (GCMs), including one super-parameterized GCM (SPCAM) and one recently developed high-resolution GCM (GFDL HIRAM) with horizontal resolution of about 50 km. While it remains challenging for GCMs to faithfully represent these two ISV modes including their amplitude, evolution patterns, and periodicities, encouraging simulations are also noted. In general, SPCAM and HIRAM exhibit relatively superior skill in representing the two ISV modes over the EPAC. While the advantage of SPCAM is achieved through explicit representation of the cumulus process by the embedded 2-D cloud resolving models, the improved representation in HIRAM could be ascribed to the employment of a strongly entraining plume cumulus scheme, which inhibits the deep convection, and thus effectively enhances the stratiform rainfall. The sensitivity tests based on HIRAM also suggest that fine horizontal resolution could also be conducive to realistically capture the ISV over the EPAC, particularly for the QBM mode. Further analysis illustrates that the observed 40-day ISV mode over the EPAC is closely linked to the eastward propagating ISV signals from the Indian Ocean/Western Pacific, which is in agreement with the general impression that the 40-day ISV mode over the EPAC could be a local expression of the global Madden-Julian Oscillation (MJO). In contrast, the convective signals associated with the 40-day mode over the EPAC in most of the GCM simulations tend to originate between 150degE and 150degW, suggesting the 40-day ISV mode over the EPAC might be sustained without the forcing by the eastward propagating MJO. Further investigation is warranted towards improved understanding of the origin of the ISV over the EPAC.

Intraseasonal Variability↗

NASA NTRS1994

The luminosity functions of embedded stellar clusters. 2: Numerical results

We use the theory developed previously to calculate the evolving luminosity functions of very young stellar clusters. The luminosity function of the protostars alone quickly attains a characteristic, sharply peaked shape, which it maintains throughout the time of cluster formation. For the pre-main-sequence stars, the function continually changes but displays a pronounced 'step' near a luminosity of 10 Solar luminosity for a prolonged period. At most times, the vast majority of cluster members are pre-main-sequence stars. However, the total cluster luminosity is dominated first by the protostellar and later by the main-sequence component. At these late times, it is the brightest stars which reach the main sequence first. Finaly, a preliminary application of our model to the rho Ophiuchi embedded cluster indicates that star formation has proceeded in that region for 1 x 10(exp 6).

Fletcher, Andre B.↗

NASA NTRS1988

A multiple-vortex-ring model of the DFW microburst

A multiple-vortex-ring model of the winds associated with a microburst is verified by matching the model-generated winds to those encountered at the Dallas-Ft. Worth (DFW) microburst. The basis of the model consists of time-invariant vortex ring filaments embedded in irrotational flow. Each ring's viscous core is modeled by distributing the vorticity over a small distance (relative to the ring diameter) radially from the filaments. Parameters such as the size and strength of the vortex rings are identified using a modified Newton-Raphson technique. The parameters identified from the analysis of the DFW microburst encounter indicate a large ring with a radius of 8500 ft and a smaller ring with a radius of 1700 ft.

Schultz, Thomas A.↗

NASA NTRS1995

A new criterion for bar-forming instability in rapidly rotating gaseous and stellar systems. 1: Axisymmetric form

We analyze previous results on the stability of uniformly and differentialy rotating, self-gravitating, gaseous and stellar, axisymmetric systems to derive a new stability criterion for the appearance of torodial, m = 2 intermediate or I-modes and bar modes. In the process, we demonstrate that the bar modes in stellar systems and the m = 2 I-modes in gaseous systems have many common physical characteristics and only one substantial difference: because of the anisotropy of the stress tensor, dynamical instability sets in at lower rotation in stellar systems. This difference is reflected also in the new stability criterion. The new stability parameter alpha equals (T(sub J))/(absolute value of W) is formulated first for uniformly rotating systems and is based on the angular momentum content rather than on the energy content of a system. (T(sub J) is defined as ((L)(Omega(sub J)))/2; L is the total angular momentum; Omega(sub J) is the Jeans frequency introduced by self-gravity; and W is the total gravitational potential energy.) For stability of stellar systems alpha less than or equal to 0.254-0.258 while alpha less than or equal to 0.341-0.354 for stability of gaseous systems. For uniform rotation, one can write alpha = ((ft)/2)(exp 1/2), where t is defined as T/(absolute value of W), T is the total kinetic energy due to rotation, and f is a function characteristic of the topology/connectedness and the geometric shape of a system. Equivalently, alpha equals t/(chi), where chi is defined as Omega/Omega(sub J) and Omega is the rotation frequency. Using these forms, alpha can be extended to and calculated for a variety of differentially rotating, gaseous and stellar, axisymmetric disk and spheroidal models whose equilibrium structures and stability characteristics are known. In this paper, we also estimate alpha for gaseous torodial models and for stellar disk systems embedded in an inert or responsive 'halo.' We find that the new stability criterion holds equally well for all these previously published axisymmetric models.

Christodoulou, Dimitris M.↗

DOE OSTI2024

Signature analysis of high-throughput transcriptomics screening data for mechanistic inference and chemical grouping

Abstract High-throughput transcriptomics (HTTr) uses gene expression profiling to characterize the biological activity of chemicals in in vitro cell-based test systems. As an extension of a previous study testing 44 chemicals, HTTr was used to screen an additional 1,751 unique chemicals from the EPA’s ToxCast collection in MCF7 cells using 8 concentrations and an exposure duration of 6 h. We hypothesized that concentration-response modeling of signature scores could be used to identify putative molecular targets and cluster chemicals with similar bioactivity. Clustering and enrichment analyses were conducted based on signature catalog annotations and ToxPrint chemotypes to facilitate molecular target prediction and grouping of chemicals with similar bioactivity profiles. Enrichment analysis based on signature catalog annotation identified known mechanisms of action (MeOAs) associated with well-studied chemicals and generated putative MeOAs for other active chemicals. Chemicals with predicted MeOAs included those targeting estrogen receptor (ER), glucocorticoid receptor (GR), retinoic acid receptor (RAR), the NRF2/KEAP/ARE pathway, AP-1 activation, and others. Using reference chemicals for ER modulation, the study demonstrated that HTTr in MCF7 cells was able to stratify chemicals in terms of agonist potency, distinguish ER agonists from antagonists, and cluster chemicals with similar activities as predicted by the ToxCast ER Pathway model. Uniform manifold approximation and projection (UMAP) embedding of signature-level results identified novel ER modulators with no ToxCast ER Pathway model predictions. Finally, UMAP combined with ToxPrint chemotype enrichment was used to explore the biological activity of structurally related chemicals. The study demonstrates that HTTr can be used to inform chemical risk assessment by determining in vitro points of departure, predicting chemicals’ MeOA and grouping chemicals with similar bioactivity profiles.

Toxicology↗

NASA NTRS2013

Diagnosing Aircraft Icing Potential from Satellite Cloud Retrievals

The threat for aircraft icing in clouds is a significant hazard that routinely impacts aviation operations. Accurate diagnoses and forecasts of aircraft icing conditions requires identifying the location and vertical distribution of clouds with super-cooled liquid water (SLW) droplets, as well as the characteristics of the droplet size distribution. Traditional forecasting methods rely on guidance from numerical models and conventional observations, neither of which currently resolve cloud properties adequately on the optimal scales needed for aviation. Satellite imagers provide measurements over large areas with high spatial resolution that can be interpreted to identify the locations and characteristics of clouds, including features associated with adverse weather and storms. This paper describes new techniques for interpreting cloud products derived from satellite data to infer the flight icing threat to aircraft. For unobscured low clouds, the icing threat is determined using empirical relationships developed from correlations between satellite imager retrievals of liquid water path and droplet size with icing conditions reported by pilots (PIREPS). For deep ice over water cloud systems, ice and liquid water content (IWC and LWC) profiles are derived by using the imager cloud properties to constrain climatological information on cloud vertical structure and water phase obtained apriori from radar and lidar observations, and from cloud model analyses. Retrievals of the SLW content embedded within overlapping clouds are mapped to the icing threat using guidance from an airfoil modeling study. Compared to PIREPS and ground-based icing remote sensing datasets, the satellite icing detection and intensity accuracies are approximately 90% and 70%, respectively, and found to be similar for both low level and deep ice over water cloud systems. The satellite-derived icing boundaries capture the reported altitudes over 90% of the time. Satellite analyses corresponding to the time and location of several recent aviation accidents and with icing PIREPS are also presented that reveal skill in identifying severe icing conditions. These results demonstrate the utility of satellite cloud retrievals for quantitatively diagnosing the potential for icing conditions on temporal and spatial scales that should be useful to the aviation community. Plans are being developed to deliver these new satellite products to the GOES-R Proving Ground in the near future so that they can be evaluated in operational applications.

Smith, William L., Jr.↗

DOE OSTI2025

Optimal Control for Fast Frequency Response and Black-Start using Embedded Storages with Grid-Forming Control

The grid-forming inverter is regarded as the solution for integrating high levels of renewable resources into future power systems. Ensuring the stable operation of grids necessitates that grid-forming inverters offer fast frequency response. This report introduces an optimal control method that coordinates the embedded storage within the grid-forming control model with conventional synchronous generators. The optimized active power reference for the embedded storage is generated using receding horizon optimization control, aiming to keep the center of inertia frequency within acceptable limits. The effectiveness of the proposed control is verified through testing in the IEEE 39-bus system. In addition, with grid-forming capability, we will also investigate the application of using mobile embedded storages as black-start units to provide cranking power to energize non-blackstart generators in a black-start process.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2001

Probabilistic Structural Analysis and Reliability Using NESSUS With Implemented Material Strength Degradation Model

This project included both research and education objectives. The goal of this project was to advance innovative research and education objectives in theoretical and computational probabilistic structural analysis, reliability, and life prediction for improved reliability and safety of structural components of aerospace and aircraft propulsion systems. Research and education partners included Glenn Research Center (GRC) and Southwest Research Institute (SwRI) along with the University of Texas at San Antonio (UTSA). SwRI enhanced the NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) code and provided consulting support for NESSUS-related activities at UTSA. NASA funding supported three undergraduate students, two graduate students, a summer course instructor and the Principal Investigator. Matching funds from UTSA provided for the purchase of additional equipment for the enhancement of the Advanced Interactive Computational SGI Lab established during the first year of this Partnership Award to conduct the probabilistic finite element summer courses. The research portion of this report presents the cumulation of work performed through the use of the probabilistic finite element program, NESSUS, Numerical Evaluation and Structures Under Stress, and an embedded Material Strength Degradation (MSD) model. Probabilistic structural analysis provided for quantification of uncertainties associated with the design, thus enabling increased system performance and reliability. The structure examined was a Space Shuttle Main Engine (SSME) fuel turbopump blade. The blade material analyzed was Inconel 718, since the MSD model was previously calibrated for this material. Reliability analysis encompassing the effects of high temperature and high cycle fatigue, yielded a reliability value of 0.99978 using a fully correlated random field for the blade thickness. The reliability did not change significantly for a change in distribution type except for a change in distribution from Gaussian to Weibull for the centrifugal load. The sensitivity factors determined to be most dominant were the centrifugal loading and the initial strength of the material. These two sensitivity factors were influenced most by a change in distribution type from Gaussian to Weibull. The education portion of this report describes short-term and long-term educational objectives. Such objectives serve to integrate research and education components of this project resulting in opportunities for ethnic minority students, principally Hispanic. The primary vehicle to facilitate such integration was the teaching of two probabilistic finite element method courses to undergraduate engineering students in the summers of 1998 and 1999.

Bast, Callie C.↗

DOE OSTI2025

Joint Modeling of Quasar Variability and Accretion Disk Reprocessing Using Latent Stochastic Differential Equations

Quasars are bright active galactic nuclei powered by the accretion of matter around supermassive black holes at the center of galaxies. Their stochastic brightness variability depends on the physical properties of the accretion disk and black hole. The upcoming Rubin Observatory Legacy Survey of Space and Time (LSST) is expected to observe tens of millions of quasars, so there is a need for efficient techniques like machine learning that can handle the large volume of data. Quasar variability is believed to be driven by an X-ray corona, which is reprocessed by the accretion disk and emitted as UV/optical variability. We are the first to introduce an auto-differentiable simulation of the accretion disk and reprocessing. We use the simulation as a direct component of our neural network to jointly model the driving variability and reprocessing, trained with supervised learning on simulated LSST-like 10 yr quasar light curves. We encode the light curves using a transformer encoder, and the driving variability is reconstructed using latent stochastic differential equations, a physically motivated generative deep learning method that can model continuous-time stochastic dynamics. By embedding the physical processes of the driving signal and reprocessing into our network, we achieve a model that is more robust and interpretable. We demonstrate that our model outperforms a Gaussian process regression baseline and can infer accretion disk parameters and time delays between wave bands, even for out-of-distribution driving signals. Our approach provides a powerful framework that can be adapted to solve other inverse problems in multivariate time series.

Fagin, Joshua [City Univ. of New York (CUNY), NY (↗

DOE OSTI2025

From disorganized data to emergent dynamic models: Questionnaires to partial differential equations

Starting with sets of disorganized observations of spatially varying and temporally evolving systems, obtained at different (also disorganized) sets of parameters, we demonstrate the data-driven derivation of parameter dependent, evolutionary partial differential equation (PDE) models capable of generating the data. This tensor type of data is reminiscent of shuffled (multidimensional) puzzle tiles. The independent variables for the evolution equations (their “space” and “time”) as well as their effective parameters are all emergent , i.e. determined in a data-driven way from our disorganized observations of behavior in them. We use a diffusion map based questionnaire approach to build a smooth parametrization of our emergent space/time/parameter space for the data. This approach iteratively processes the data by successively observing them on the “space,” the “time” and the “parameter” axes of a tensor. Once the data become organized, we use machine learning (here, neural networks) to approximate the operators governing the evolution equations in this emergent space. Our illustrative examples are based (i) on a simple advection–diffusion model; (ii) on a previously developed vertex-plus-signaling model of Drosophila embryonic development; and (iii) on two complex dynamic network models (one neuronal and one coupled oscillator model) for which no obvious smooth embedding geometry is known a priori. This allows us to discuss features of the process like symmetry breaking, translational invariance, and autonomousness of the emergent PDE model, as well as its interpretability.

generative models↗

NASA NTRS1994

An embedding for the big bang

A cosmological model is given that has good physical properties for the early and late universe but is a hypersurface in a flat five-dimensional manifold. The big bang can therefore be regarded as an effect of a choice of coordinates in a truncated higher-dimensional geometry. Thus the big bang is in some sense a geometrical illusion.

Wesson, Paul S.↗