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NASA NTRSDate not supplied

AI Foundation Models for Science: An Open Collaborative Initiative

Foundation Models (FMs), AI models designed to replace task-specific models, are increasingly being recognized for their versatility across numerous downstream applications. These models, trained using self-supervised techniques on any type of sequence data, circumvent the need for large annotated datasets, a major bottleneck in traditional AI model development. FMs can be applied to downstream tasks using few-shot learning and fine-tuning, significantly reducing the need for large labeled training datasets and computational resources. However, the development of FMs requires substantial resources, including access to data and compute power, expertise in the latest models, and specialized scientific knowledge for systematic evaluation. It is challenging for a single group to possess all these capabilities. To address this, NASA IMPACT has initiated an open collaborative effort, leveraging partnerships with the private sector and other groups within and outside NASA, to jointly build FMs. The overarching goal is to develop a consistent and collaborative approach to building FMs for high-value science datasets. This initiative has fostered collaboration within NASA and with external partners, including IBM Research, Clark University, DOE’s ORNL, ESA, and USGS. The effort focuses on identifying key datasets with a wide range of downstream applications, pretraining and building FMs using modified transformer architectures, evaluating compute infrastructure needs, and sharing models, pretraining and fine-tuning code, and data with the community. Furthermore, it aims to train the Earth science community to fine-tune these models for various downstream applications. Our initial effort resulted in the creation of a 100 million parameter HLS Geospatial Model within six months, which was released on HuggingFace. We are now expanding our scope to include data from weather and climate models and investigating multimodal models. We invite those interested in participating in this effort to join us by sharing their use cases, expertise, or data.

Rahul Ramachandran↗

DOE OSTI2021

Kinetic modeling of anaerobic degradation of plant-derived aromatic mixtures by Rhodopseudomonas palustris

Abstract Rhodopseudomonas palustris is a model microorganism for studying the anaerobic metabolism of aromatic compounds. While it is well documented which aromatics can serve as sole organic carbon sources, co-metabolism of other aromatics is poorly understood. This study used kinetic modeling to analyze the simultaneous degradation of aromatic compounds present in corn stover hydrolysates and model the co-metabolism of aromatics not known to support growth of R. palustris as sole organic substrates. The simulation predicted that p -coumaroyl amide and feruloyl amide were hydrolyzed to p -coumaric acid and ferulic acid, respectively, and further transformed via p -coumaroyl-CoA and feruloyl-CoA. The modeling also suggested that metabolism of p -hydroxyphenyl aromatics was slowed by substrate inhibition, whereas the transformation of guaiacyl aromatics was inhibited by their p -hydroxyphenyl counterparts. It also predicted that substrate channeling may occur during degradation of p -coumaroyl-CoA and feruloyl-CoA, resulting in no detectable accumulation of p -hydroxybenzaldehyde and vanillin, during the transformation of these CoA ligated compounds to p- hydroxybenzoic acid and vanillic acid, respectively. While the simulation correctly represented the known transformation of p -hydroxybenzoic acid via the benzoyl-CoA pathway, it also suggested co-metabolism of vanillic acid and syringic acid, which are known not to serve as photoheterotrophic growth substrate for R. palustris .

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2011

TPSAS-NF1676L-12839-DND

Hyper-spectral remote sensors, such as Atmospheric Infrared Sounder (AIRS) and Infrared Atmospheric Sounding Interferometer (IASI), provides top of atmospheric radiances with high information content on atmospheric and surface properties. In order to analyze these data in real time, fast, and accurate forward and inverse models are needed. We will describe a method of simultaneously retrieving atmospheric temperature, moisture, cloud, and surface properties using all available spectral channels without sacrificing computational speed. The method has been successfully applied to AIRS, IASI, and NAST-I data. By applying the same method to the current and future hyperspectral sounders, the derived products will have less errors due to biases introduced by different retrieval methods. We have compared the retrieved products to radiosondes, aircraft measurements and other validation dataset. Simulations have done to quantify retrieval errors associated with the retrievals. The essence of the method is to convert channel radiance spectra into super-channels by an Empirical Orthogonal Function (EOF) transformation. A Principal Component-based Radiative Transfer Model (PCRTM) developed at NASA Langley Research Center is used to calculate both the super-channel magnitudes and derivatives with respect to atmospheric profiles and other properties. The inversion algorithm is based on a non-linear Levenberg-Marquardt method with climatology covariance matrices and a priori information as constraints. One advantage of this approach is that it uses all information content from the hyper-spectral data so that the retrieval is less sensitive to instrument noise and eliminates the need for selecting a subset of the channels. The PCRTM forward model has also been used to performance end-to-end sensor performance simulations of the Climate Absolute Radiance and Refractivity Observatory (CLARREO).

Xu Liu↗

NASA NTRS1997

Oxidative Degradation of Nadic-End-Capped Polyimides: Evidence for Reactions Occurring at High Temperatures - 2

The oxidative degradation of PMR (for polymerization of monomeric reactants) polyimides at elevated temperatures was followed by cross-polarized magic angle spinning (Cp-MAS) NMR. C-13 labeling of selected sites in the polymers allowed for direct observation of the transformations arising from oxidation processes. As opposed to model compound studies, the reactions were followed directly in the polymer. The labeling experiments confirm the previously reported oxidation of the methylene carbon to ketone in the methylenedianiline portion of the polymer chain. They also show the formation of two other oxidized species, acid and ester, from this same carbon. In addition, the technique provides the first evidence of the kind of degradation reactions that are occurring in the nadic end caps. Several PMR formulations containing moieties determined to be present after oxidation, as suggested by the labeling study, were synthesized. Weight loss, FTIR, and natural abundance NMR of these derivatives were followed during aging. In this way, weight loss could be related to the observed transformations.

Meador, Mary Ann B.↗

DOE OSTI2022

Improving Solar and Solar+Storage Screening Techniques to Reduce Utility Interconnection Time and Costs (Final Technical Report)

Residential PV installations have increased rapidly over the last decade, and the increased application volume has caused permitting delays and lower overall adoption rates. In this project, we developed and evaluated whether data-driven secondary modeling and screening techniques can help utilities assess customer applications more accurately than traditional screening shortcuts. Secondary topologies are predicted using decision trees and commonly available information, such as service transformer, customer, and street locations. Conductors were predicted using a logistic regression method based on real world object (RWO) types, service transformer ratings, conductor length, and distance to transformer. After developing the combined primary and secondary distribution network model, hosting capacity results were used to train a random forest model to predict the pass/fail likelihood of a customer application. Powerflow based models with predicted secondaries and data-driven methods both increased the screening success rate, relative to common utility heuristics, by as much as 55 percentage points. Data-driven screening techniques were described by one utility as a "right-sized" approach for residential customers given the low-risk of small errors and the high-cost of accurate modeling.

14 SOLAR ENERGY↗

DOE OSTI2022

Renewable Energy and Efficiency Technologies in Scenarios of U.S. Decarbonization in Two Types of Models: Comparison of GCAM Modeling and Sector-Specific Modeling

Energy system projections from quantitative models inform actions ranging from short-term and local decisions, such as those about technology and infrastructure deployment, and global and long-term negotiations and targets. Computational limits require model designers to balance coverage and resolution (i.e., breadth versus depth). Some models, such as the Global Change Analysis Model (GCAM), represent all energy sources and uses with less resolution than models that focus on a single sector's energy use. GCAM balances global supply and demand of all energy carriers projecting prices using internal calculations for energy sources and costs of greenhouse gas mitigation while capturing interlinkages between the energy system, water, agriculture and land use, the economy, and the climate. This globally comprehensive model was used to frame the Long-Term Strategy of the United States: Pathways to Net-Zero Greenhouse Gas Emissions by 2050, which the White House released in 2021 and has been used to inform national and global economy-wide climate change mitigation discussions and strategy development for decades. Unlike GCAM, sectoral models focus on a portion of the energy sector and with greater detail and resolution. The Regional Energy Deployment System (ReEDS) electricity-sector model, for example, projects electricity system capacity expansion and operation with high-fidelity representation of emerging technologies for deep decarbonization, such as variable renewable energy and energy storage, and integration of these technologies into the electric grid. The Transportation Energy and Mobility Pathway Options (TEMPO) transportation-sector model enables analysis of household choices, with a focus on adoption, charging, and use of electric vehicles. The Scout buildings-sector model supports detailed consideration of the policies and markets that can accelerate the adoption of electrification and energy conservation measures in buildings. Such sector-specific models are instrumental in informing technology research, sectoral planning strategies, and sector-specific aspects of greenhouse gas mitigation strategies in the United States. The integrated multisector and sector-specific modeling approaches represented by GCAM and these sectoral models are complementary. The integrated multisector approach calculates energy pricing and resource allocation within the model, which is important for consistency when future conditions substantially diverge from current conditions in transformative scenarios. The sector-specific approach facilitates representation of granular details across spatial, temporal, technological, and market dimensions that enable exploration of particular interactions and trade-offs. This report presents the results of recent work to explore the differences and trade-offs between these approaches by comparing GCAM with the sector-specific ReEDS, TEMPO, and Scout models. The report compares both model structures and results, and it addresses their potential relevance and applications.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1985

Investigation of Low-temperature Solders for Cryogenic Wind Tunnel Models

The advent of high Reynolds number cryogenic wind tunnels has forced alteration of manufacturing and assembly techniques and eliminated usage of many materials associated with conventional wind tunnel models. One of the techniques affected is soldering. Solder alloys commonly used for wind tunnel models are susceptible to low-temperature embrittlement and phase transformation. The low-temperature performance of several solder alloys is being examined during research and development activities being conducted in support of design and fabrication of cryogenic wind tunnel models. Among the properties examined during these tests are shear strength, surface quality, joint stability, and durability when subjected to dynamic loading. Results of these tests and experiences with recent models are summarized.

Firth, G. C.↗

NASA NTRS2018

Vision 2040: A Roadmap for Integrated, Multiscale Modeling and Simulation of Materials and Systems

Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. While these advances have driven significant progress in the development of aerospace components and systems, that progress has been limited by persistent technology and infrastructure challenges that must be overcome to realize the full potential of integrated materials and systems design and simulation modeling throughout the supply chain. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a diverse team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This report describes the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); identified gaps and actions to close those gaps; and major recommendations) which constitutes a community consensus document as it is a result of over 450 professionals input obtain via: 1) four society workshops (AIAA, NAFEMS, and two TMS), 2) community-wide survey, and 3) the establishment of 9 expert panels (one per KE) consisting on average of 10 non-team members from academia, government and industry to review, update content, and prioritize gaps and actions. The study envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of fit-for-purpose materials, components, and systems. Although the vision focused on aeronautics and space applications, it is believed that other engineering communities (e.g., automotive, biomedical, etc.) can benefit as well from the proposed framework with only minor modifications. Finally, it is TTT's hope and desire that this vision provides the strategic guidance to both public and private research and development decision makers to make the proposed 2040 vision state a reality and thereby provide a significant advancement in the United States global competitiveness.

multi-scale modeling↗

NASA NTRS2010

Optimal Control Modification Adaptive Law for Time-Scale Separated Systems

Recently a new optimal control modification has been introduced that can achieve robust adaptation with a large adaptive gain without incurring high-frequency oscillations as with the standard model-reference adaptive control. This modification is based on an optimal control formulation to minimize the L2 norm of the tracking error. The optimal control modification adaptive law results in a stable adaptation in the presence of a large adaptive gain. This study examines the optimal control modification adaptive law in the context of a system with a time scale separation resulting from a fast plant with a slow actuator. A singular perturbation analysis is performed to derive a modification to the adaptive law by transforming the original system into a reduced-order system in slow time. A model matching conditions in the transformed time coordinate results in an increase in the actuator command that effectively compensate for the slow actuator dynamics. Simulations demonstrate effectiveness of the method.

Nguyen, Nhan T.↗

NASA NTRS2009

Optimal Control Modification for Robust Adaptation of Singularly Perturbed Systems with Slow Actuators

Recently a new optimal control modification has been introduced that can achieve robust adaptation with a large adaptive gain without incurring high-frequency oscillations as with the standard model-reference adaptive control. This modification is based on an optimal control formulation to minimize the L2 norm of the tracking error. The optimal control modification adaptive law results in a stable adaptation in the presence of a large adaptive gain. This study examines the optimal control modification adaptive law in the context of a system with a time scale separation resulting from a fast plant with a slow actuator. A singular perturbation analysis is performed to derive a modification to the adaptive law by transforming the original system into a reduced-order system in slow time. The model matching conditions in the transformed time coordinate results in increase in the feedback gain and modification of the adaptive law.

Nguyen, Nhan T.↗

NASA NTRS2012

Optimal Control Modification for Time-Scale Separated Systems

Adaptive Control↗

NASA NTRS2011

Simulating Thermal Cycling and Isothermal Deformation Response of Polycrystalline NiTi

A microstructure-based FEM model that couples crystal plasticity, crystallographic descriptions of the B2-B19' martensitic phase transformation, and anisotropic elasticity is used to simulate thermal cycling and isothermal deformation in polycrystalline NiTi (49.9at% Ni). The model inputs include anisotropic elastic properties, polycrystalline texture, DSC data, and a subset of isothermal deformation and load-biased thermal cycling data. A key experimental trend is captured.namely, the transformation strain during thermal cycling is predicted to reach a peak with increasing bias stress, due to the onset of plasticity at larger bias stress. Plasticity induces internal stress that affects both thermal cycling and isothermal deformation responses. Affected thermal cycling features include hysteretic width, two-way shape memory effect, and evolution of texture with increasing bias stress. Affected isothermal deformation features include increased hardening during loading and retained martensite after unloading. These trends are not captured by microstructural models that lack plasticity, nor are they all captured in a robust manner by phenomenological approaches. Despite this advance in microstructural modeling, quantitative differences exist, such as underprediction of open loop strain during thermal cycling.

Manchiraju, Sivom↗

DOE OSTI2024

Sinuosity‐Driven Hyporheic Exchange: Hydrodynamics and Biogeochemical Potentials

Abstract Hydrologic exchange processes are critical for ecosystem services along river corridors. Meandering contributes to this exchange by driving channel water, solutes, and energy through the surrounding alluvium, a process called sinuosity‐driven hyporheic exchange. This exchange is embedded within and modulated by the regional groundwater flow (RGF), which compresses the hyporheic zone and potentially diminishes its overall impact. Quantifying the role of sinuosity‐driven hyporheic exchange at the reach‐to‐watershed scale requires a mechanistic understanding of the interplay between drivers (meander planform) and modulators (RGF) and its implications for biogeochemical transformations. Here, we use a 2D, vertically integrated numerical model for flow, transport, and reaction to analyze sinuosity‐driven hyporheic exchange systematically. Using this model, we propose a dimensionless framework to explore the role of meander planform and RGF in hydrodynamics and how they constrain nitrogen cycling. Our results highlight the importance of meander topology for water flow and age. We demonstrate how the meander neck induces a shielding effect that protects the hyporheic zone against RGF, imposing a physical constraint on biogeochemical transformations. Furthermore, we explore the conditions when a meander acts as a net nitrogen source or sink. This transition in the net biogeochemical potential is described by a handful of dimensionless physical and biogeochemical parameters that can be measured or constrained from literature and remote sensing. This work provides a new physically based model that quantifies sinuosity‐driven hyporheic exchange and biogeochemical reactions, a critical step toward their representation in water quality models and the design and assessment of river restoration strategies.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2010

Context Modeler for Wavelet Compression of Spectral Hyperspectral Images

A context-modeling sub-algorithm has been developed as part of an algorithm that effects three-dimensional (3D) wavelet-based compression of hyperspectral image data. The context-modeling subalgorithm, hereafter denoted the context modeler, provides estimates of probability distributions of wavelet-transformed data being encoded. These estimates are utilized by an entropy coding subalgorithm that is another major component of the compression algorithm. The estimates make it possible to compress the image data more effectively than would otherwise be possible. The following background discussion is prerequisite to a meaningful summary of the context modeler. This discussion is presented relative to ICER-3D, which is the name attached to a particular compression algorithm and the software that implements it. The ICER-3D software is summarized briefly in the preceding article, ICER-3D Hyperspectral Image Compression Software (NPO-43238). Some aspects of this algorithm were previously described, in a slightly more general context than the ICER-3D software, in "Improving 3D Wavelet-Based Compression of Hyperspectral Images" (NPO-41381), NASA Tech Briefs, Vol. 33, No. 3 (March 2009), page 7a. In turn, ICER-3D is a product of generalization of ICER, another previously reported algorithm and computer program that can perform both lossless and lossy wavelet-based compression and decompression of gray-scale-image data. In ICER-3D, hyperspectral image data are decomposed using a 3D discrete wavelet transform (DWT). Following wavelet decomposition, mean values are subtracted from spatial planes of spatially low-pass subbands prior to encoding. The resulting data are converted to sign-magnitude form and compressed. In ICER-3D, compression is progressive, in that compressed information is ordered so that as more of the compressed data stream is received, successive reconstructions of the hyperspectral image data are of successively higher overall fidelity.

Kiely, Aaron↗

DOE OSTI2023

Additive Manufacturing of Coreless Flyback Transformers Using Aerosol Jet Printing and Electrochemical Deposition

An additive manufacturing approach combining aerosol jet printing (AJP) and electrodeposition opens a new pathway to the production of lightweight coreless flyback transformer devices for power electronics. AJP of seed layers with resolution on the order of 30 μm is combined with electrodeposition of Cu and Ni for decreased resistance. This combined approach addresses known shortcomings of AJP and electrodeposition. Nanoparticle inks used in AJP of metals have low conductivity versus bulk materials due to their high grain boundary resistance. There is a lack of readily available high-resolution patterning techniques for electrodeposition outside of expensive clean-room-based lithography techniques. Combining these two techniques enables the patterning of high-resolution, high-conductivity components. Here in this manuscript, we report on the construction of coreless flyback transformers consisting of two-layer primary and two-layer secondary spiral inductors separated by layers of a printed UV-curable dielectric. An input voltage of 17 V at 400 kHz was amplified to an output of 1250 V corresponding to a gain of 73.5. COMSOL modeling at the individual inductor level and at the transformer level was used to compare expected inductance, equivalent series resistance (ESR), and coupling with experimentally measured values.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Understanding the High Energy Higgs Sector with the CMS Experiment and Artificial Intelligence

This dissertation describes efforts towards understanding the Higgs boson at the highest energies humanly accessible, using the CMS experiment at the Large Hadron Collider and advances in artificial intelligence (AI) and machine learning (ML). We present searches for resonant and nonresonant Higgs-boson (H) pair production in the all-hadronic two beauty-quark and two vector boson (V) final state, using a novel strategy to measure the quartic HHVV coupling and search for new Higgs-like bosons. By targeting highly Lorentz-boosted Higgs pairs, we probe effects of potential new physics in the high energy Higgs sector, which could hold answers to fundamental mysteries of nature such as baryon asymmetry. To enable these and future searches, we introduce as well significant developments in AI/ML, including in the identification of boosted H$\rightarrow$VV decays with deep transformer networks and advances in AI-accelerated fast simulations of the CMS detector. The latter notably includes the development of the first, highly performant generative models for point-cloud data in high energy physics, which have the potential to improve CMS' computational efficiency by up to three orders of magnitude. We also highlight novel solutions to the important and challenging problems of calibrating and validating these ML techniques. Finally, we present new approaches to search for new physics in a model-agnostic manner, using physics-informed ML methods equivariant to Lorentz transformations. The quartic HHVV coupling is observed (expected) to be constrained to $[-0.04, 2.05]$ ($[0.05, 1.98]$) at the 95% confidence level relative to the standard model prediction, representing the second-most sensitive measurement of this coupling by CMS to date. Exclusion limits on the production cross section of new heavy resonances decaying to two Higgs-like bosons are expected to be as low as 0.3 fb for high resonance masses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1982

Laboratory modeling and analysis of aircraft-lightning interactions

Modeling studies of the interaction of a delta wing aircraft with direct lightning strikes were carried out using an approximate scale model of an F-106B. The model, which is three feet in length, is subjected to direct injection of fast current pulses supplied by wires, which simulate the lightning channel and are attached at various locations on the model. Measurements are made of the resulting transient electromagnetic fields using time derivative sensors. The sensor outputs are sampled and digitized by computer. The noise level is reduced by averaging the sensor output from ten input pulses at each sample time. Computer analysis of the measured fields includes Fourier transformation and the computation of transfer functions for the model. Prony analysis is also used to determine the natural frequencies of the model. Comparisons of model natural frequencies extracted by Prony analysis with those for in flight direct strike data usually show lower damping in the in flight case. This is indicative of either a lightning channel with a higher impedance than the wires on the model, only one attachment point, or short streamers instead of a long channel.

Turner, C. D.↗

NASA NTRS2022

The Transformation and Export of Organic Carbon Across an Arctic River-Delta-Ocean Continuum

The Arctic Ocean is surrounded by land that feeds highly seasonal rivers with water enriched in high concentrations of dissolved and particulate organic carbon (DOC and POC). Explicit estimates of the flux of organic carbon across the land-ocean interface are difficult to quantify and many interdependent processes makes source attribution difficult. A high-resolution 3-D biogeochemical model was built for the lower Yukon River and coastal ocean to estimate biogeochemical cycling across the land-ocean continuum. The model solves for complex reactions related to organic carbon transformation, including mechanistic photodegradation and multi-reactivity microbial processing, DOC to POC flocculation, and phytoplankton dynamics. The baseline DOC and POC flux out of the delta from April to September 2019, was 977 and 536 Gg C (~80% of the annual total), but only 50% of the DOC and 25% of the POC exited the plume across the 10 m isobath. Microbial breakdown of DOC accounted for a net loss of 168 Gg C (17% of delta export) within the plume and photodegradation accounted for a net loss of 46.6 Gg C DOC (5% of delta export) in 2019. Flocculation decreased the total organic carbon flux by only 6.4 Gg C (~1%), while POC sinking accounted for 63.3 Gg C (10%) settling in the plume. The loss of chromophoric dissolved organic matter (CDOM) due to photodegradation increased the light available for phytoplankton growth throughout the coastal ocean, demonstrating the secondary effects that organic carbon reactions can have on biological processes and the net coastal carbon flux.

Land-Ocean Continuum↗