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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Inference of phase field fracture models

The phase field approach to modeling fracture uses a diffuse damage field to represent cracks. This representation mollifies singularities that arise in computations with sharp interface models and some of the resultant difficulties in the mathematical and numerical treatment of fracture. Phase field fracture models have proven effective at representing crack propagation, branching, and merging. Specific formulations, beginning with brittle fracture, have also been shown to converge to classical solutions. Extensions to cover the range of material failure, including ductile and cohesive fracture, lead to an array of possible models. There exists a large body of literature focusing on this class of models and on the impact of model form on the predicted crack evolution. However, there have not been systematic studies into how optimal models may be chosen. Here, we take a first step in this direction by developing formal methods for identification of the best parsimonious model of phase field fracture given full-field data on the damage and deformation fields. We consider some of the main models that have been used for the degradation of elastic response due to damage and its propagation. Our approach builds upon Variational System Identification (VSI), a weak form variant of the Sparse Identification of Nonlinear Dynamics (SINDy). Furthermore, in this first communication we focus on synthetically generated data but we also consider central issues associated with the use of experimental full-field data, such as data sparsity and noise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Inferring Plant Acclimation and Improving Model Generalizability With Differentiable Physics‐Informed Machine Learning of Photosynthesis

Net photosynthesis (A N ) is a key component of the global carbon cycle influencing climate feedback over decadal scales. Although plant acclimation to environmental changes can modify A N , traditional vegetation models in Earth system models (ESMs) often rely on plant functional type (PFT)-specific parameterizations or simplified acclimation assumptions limiting generalizability across time, space, and PFTs. In this study, we developed a differentiable photosynthesis model to learn the environmental dependencies of V c,max25 (maximum carboxylation rate at 25°C, representing photosynthetic capacity), as this genre of hybrid physics-informed machine learning can seamlessly train neural networks and process-based equations together. Compared to PFT-specific parameterization of V c,max25 , learning the environment dependencies of key photosynthetic parameters improved model spatiotemporal generalizability. Applying environmental acclimation to V c,max25 led to substantial variations in global mean A N indicating the need to address acclimation in ESMs. The model effectively captured multivariate observations (V c,max25 , A N , and stomatal conductance (g s )) simultaneously with multivariate constraints, improving generalization across space and PFTs. It also learned sensible acclimation relationships of V c,max25 to different environmental conditions. The model explained more than 54%, 57%, and 62% of the variance of A N , g s , and V c,max25 , respectively, presenting a first global-scale spatial test benchmark of A N and g s . These results highlight the potential for differentiable modeling to enhance process-based modules in ESMs and effectively leverage information from large, multivariate data sets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Genome-driven evolutionary game theory helps understand the rise of metabolic interdependencies in microbial communities

Metabolite exchanges in microbial communities give rise to ecological interactions that govern ecosystem diversity and stability. It is unclear, however, how the rise of these interactions varies across metabolites and organisms. Here we address this question by integrating genome-scale models of metabolism with evolutionary game theory. Specifically, we use microbial fitness values estimated by metabolic models to infer evolutionarily stable interactions in multi-species microbial “games”. We first validate our approach using a well-characterized yeast cheater-cooperator system. We next perform over 80,000 in silico experiments to infer how metabolic interdependencies mediated by amino acid leakage in Escherichia coli vary across 189 amino acid pairs. While most pairs display shared patterns of inter-species interactions, multiple deviations are caused by pleiotropy and epistasis in metabolism. Moreover, simulated invasion experiments reveal possible paths to obligate cross-feeding. Our study provides genomically driven insight into the rise of ecological interactions, with implications for microbiome research and synthetic ecology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Space geodetic monitoring of engineered structures: The ongoing destabilization of the Mosul dam, Iraq

We present a detailed survey of the ongoing destabilization process of the Mosul dam. The dam is located on the Tigris river and is the biggest hydraulic structure in Iraq. From a geological point of view the dam foundation is poor due to a site geology formed by alternating strata of highly soluble materials including gypsum, anhydrite, marl and limestone. Here we present the first multi-sensor cumulative deformation map for the dam generated from space-based interferometric synthetic aperture radar measurements from the Italian constellation COSMO-SkyMed and the European sensor Sentinel-1a over the period 2014–2016 that we compare to an older dataset spanning 2004–2010 acquired with the European Envisat satellite. We found that deformation was rapid during 2004–2010, slowed in 2012–2014 and increased since August 2014 when grouting operations stopped due to the temporary capture of the dam by the self proclaimed Islamic State. We model the inferred deformation using a Markov chain Monte Carlo approach to solve for change in volume for simple tensile dislocations. Results from recent and historical geodetic datasets suggests that the volume dissolution rate remains constant when the equivalent volume of total concrete injected during re-grouting operations is included in the calculations.

42 ENGINEERING↗
DOE OSTI2017

The role of hot spot mix in the low-foot and high-foot implosions on the NIF

Hydrodynamic mix of the ablator into the DT fuel layer and hot spot can be a critical performance limitation in inertial confinement fusion implosions. This mix results in increased radiation loss, cooling of the hot spot, and reduced neutron yield. To quantify the level of mix, we have developed a simple model that infers the level of contamination using the ratio of the measured x-ray emission to the neutron yield. The principal source for the performance limitation of the “low-foot” class of implosions appears to have been mix. As a result, lower convergence “high-foot” implosions are found to be less susceptible to mix, allowing velocities of >380 km/s to be achieved.

42 ENGINEERING↗
DOE OSTI2019

Unfolded states under folding conditions accommodate sequence-specific conformational preferences with random coil-like dimensions

Proteins are marginally stable molecules that fluctuate between folded and unfolded states. Here, we provide a high-resolution description of unfolded states under refolding conditions for the N-terminal domain of the L9 protein (NTL9). We use a combination of time-resolved Förster resonance energy transfer (FRET) based on multiple pairs of minimally perturbing labels, time-resolved small-angle X-ray scattering (SAXS), all-atom simulations, and polymer theory. Upon dilution from high denaturant, the unfolded state undergoes rapid contraction. Although this contraction occurs before the folding transition, the unfolded state remains considerably more expanded than the folded state and accommodates a range of local and nonlocal contacts, including secondary structures and native and nonnative interactions. Paradoxically, despite discernible sequence-specific conformational preferences, the ensemble-averaged properties of unfolded states are consistent with those of canonical random coils, namely polymers in indifferent (theta) solvents. These findings are concordant with theoretical predictions based on coarse-grained models and inferences drawn from single-molecule experiments regarding the sequence-specific scaling behavior of unfolded proteins under folding conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

From minimum-viable-products to full models: a step-wise development of diagnostic forward models in support of design, analysis and modelling on the ST40 tokamak

Like most magnetic confined fusion experiments, the ST40 tokamak started off with a small subset of diagnostics and gradually increased the diagnostic set to include more complex and comprehensive systems. To make the most of each operational phase, forward models of various diagnostics are used and developed to aid design, provide consistency-checks during commissioning, test analysis methods, and build workflows to constrain high-level parameters to inform interpretation, theory and modelling. For new models and new analysis workflows, minimum-viable-products are released early, and their complexity is increased in a step-wise manner, facilitating the support of all programme phases on multiple parallel applications, while enabling learning opportunities and feedback loops. In this contribution we review the philosophy, scope and architecture of the framework under development. We discuss the details of some forward models, with examples on how they are used to aid diagnostic design, to investigate analysis methodologies through synthetic data, and how they are embedded in experimental analysis workflows. We compare previously published experimental results with new, more advanced analysis workflows employing more recent, detailed models and new diagnostic data, providing confirmation of the published material from the 2021–22 experimental campaign.

integrated data analysis↗
DOE OSTI2016

Comparing cosmic web classifiers using information theory

We introduce a decision scheme for optimally choosing a classifier, which segments the cosmic web into different structure types (voids, sheets, filaments, and clusters). Our framework, based on information theory, accounts for the design aims of different classes of possible applications: (i) parameter inference, (ii) model selection, and (iii) prediction of new observations. As an illustration, we use cosmographic maps of web-types in the Sloan Digital Sky Survey to assess the relative performance of the classifiers T-WEB, DIVA and ORIGAMI for: (i) analyzing the morphology of the cosmic web, (ii) discriminating dark energy models, and (iii) predicting galaxy colors. Our study substantiates a data-supported connection between cosmic web analysis and information theory, and paves the path towards principled design of analysis procedures for the next generation of galaxy surveys. We have made the cosmic web maps, galaxy catalog, and analysis scripts used in this work publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Search for photons above 10 19 eV with the surface detector of the Pierre Auger Observatory

We use the surface detector of the Pierre Auger Observatory to search for air showers initiated by photons with an energy above 10 19 eV. Photons in the zenith angle range from 30° to 60° can be identified in the overwhelming background of showers initiated by charged cosmic rays through the broader time structure of the signals induced in the water-Cherenkov detectors of the array and the steeper lateral distribution of shower particles reaching ground. Applying the search method to data collected between January 2004 and June 2020, upper limits at 95% CL are set to an E -2 diffuse flux of ultra-high energy photons above 10 19 eV, 2 × 10 19 eV and 4 × 10 19 eV amounting to 2.11 × 10 -3 , 3.12 × 10 -4 and 1.72 × 10 -4 km -2 sr -1 yr -1 , respectively. While the sensitivity of the present search around 2 × 10 19 eV approaches expectations of cosmogenic photon fluxes in the case of a pure-proton composition, it is one order of magnitude above those from more realistic mixed-composition models. The inferred limits have also implications for the search of super-heavy dark matter that are discussed and illustrated.

ultra high energy photons and neutrinos↗
DOE OSTI2024

Nonlinear gyrokinetic modelling of high confinement negative triangularity plasmas

Abstract Nonlinear gyrokinetic simulations correctly predict particle as well as ion and electron energy fluxes of high confinement plasmas with a negative triangularity cross sectional shape, showing that core transport in these plasmas is well described by standard gyrokinetic models. Experimentally inferred power balance fluxes are mostly reproduced within one standard deviation across a wide portion of the minor radius. Experimental conditions are reproduced by ion scale simulations, without the need to include density and temperature profile curvature effects. The experimental case is used as baseline to predict that the non-dimensional confinement scaling in negative triangularity plasmas increases strongly with plasma current while slightly degrading at increasing normalized pressure and decreasing collisionality. Recent experiments showed that low toroidal rotation negatively impacts confinement; consistent with the experiment, simulations predict that low rotational shear significantly affects confinement unless the plasma effective charge is maintained above a minimum level. Core confinement is predicted to significantly degrade in low aspect ratio devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Hydra: computer vision for data quality monitoring

Hydra, initially developed for Hall-D in 2019, is a system that utilizes computer vision to perform near real time data quality monitoring. Since then, it has been deployed across all experimental halls at Jefferson Lab, with the CLAS12 collaboration in Hall-B being the first outside of GlueX to fully utilize Hydra. The system comprises back end processes that manage the models, their inferences, and the data flow. Finally, the front-end components, accessible via web pages, allow detector experts and shift crews to view and interact with the system.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

OrthoPhyl—streamlining large-scale, orthology-based phylogenomic studies of bacteria at broad evolutionary scales

Abstract There are a staggering number of publicly available bacterial genome sequences (at writing, 2.0 million assemblies in NCBI's GenBank alone), and the deposition rate continues to increase. This wealth of data begs for phylogenetic analyses to place these sequences within an evolutionary context. A phylogenetic placement not only aids in taxonomic classification but informs the evolution of novel phenotypes, targets of selection, and horizontal gene transfer. Building trees from multi-gene codon alignments is a laborious task that requires bioinformatic expertise, rigorous curation of orthologs, and heavy computation. Compounding the problem is the lack of tools that can streamline these processes for building trees from large-scale genomic data. Here we present OrthoPhyl, which takes bacterial genome assemblies and reconstructs trees from whole genome codon alignments. The analysis pipeline can analyze an arbitrarily large number of input genomes (>1200 tested here) by identifying a diversity-spanning subset of assemblies and using these genomes to build gene models to infer orthologs in the full dataset. To illustrate the versatility of OrthoPhyl, we show three use cases: E. coli/Shigella, Brucella/Ochrobactrum and the order Rickettsiales. We compare trees generated with OrthoPhyl to trees generated with kSNP3 and GToTree along with published trees using alternative methods. We show that OrthoPhyl trees are consistent with other methods while incorporating more data, allowing for greater numbers of input genomes, and more flexibility of analysis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Multi-Omics Reveals Temporal Scales of Carbon Metabolism in Synechococcus Elongatus PCC 7942 Under Light Disturbance

Central carbon metabolism in model cyanobacteria involves multiple pathways to adapt to energy-light limitations across diel cycles. However, the success in mechanistic modeling for phenotypic prediction of the protein regulators in the metabolic state depends on capturing the vast possibilities emerging from multiple regulatory pathways in complex biological processes. Here, we developed a physics-informed machine learning approach based on energy-landscape concepts to predict regulatory proteins responding to cyclic circadian and unforeseen light perturbations in cyanobacterial metabolic networks. Our approach provides interpretable de novo models for inferring gene expression dynamics from Synechococcus elongatus over diel cycles and using redox proteome analysis to distinguish immediate light-responsive elements from circadian-regulated processes in carbon metabolism pathways. We identified distinct temporal signatures with the analysis of the redox proteome: there was an immediate shift in cysteine redox states accompanied by a limited change in protein abundance under constant illumination and after 2 hours of darkness. This discovery indicates that the generation of reductants coordinates photoinduced electron transport with redox metabolic pathways in two discernable molecular mechanisms: fast redox-based protein modifications occur immediately after the light disturbance, followed by slow transcriptional regulations across networks. This temporal regulation reveals how metabolic networks integrate rapid light responses with programmed circadian rhythms to maintain cellular homeostasis under the light-energy limitations over the diel cycle.

Biomolecular & subcellular processes↗
DOE OSTI2022

Constraining the galaxy-halo connection of infrared-selected unWISE galaxies with galaxy clustering and galaxy-CMB lensing power spectra

We present the first detailed analysis of the connection between galaxies and their dark matter halos for the unWISE galaxy catalog—a full-sky, infrared-selected sample built from WISE data, containing over 500 million galaxies. Using unWISE galaxy-galaxy autocorrelation and Planck CMB lensing-galaxy cross-correlation measurements down to 10 arcmin angular scales, we constrain the halo occupation distribution (HOD), a model describing how central and satellite galaxies are distributed within dark matter halos, for three unWISE galaxy samples at mean redshifts z ¯ ≈ 0.6 , 1.1, and 1.5, assuming a fixed cosmology at the best-fit Planck Λ CDM values. We constrain the characteristic minimum halo mass to host a central galaxy, M min HOD = 1.8 3 - 1.63 + 0.41 × 10 12 M ⊙ / h , 5.22 - 4.80 + 0.34 × 10 12 M ⊙ / h , 6.60 - 1.11 + 0.30 × 10 13 M ⊙ / h and the mass scale at which one satellite galaxy per halo is found, M 1 ' = 1.1 3 - 0.70 + 0.32 × 10 13 M ⊙ / h , 1.18 - 1.11 + 0.30 × 10 13 M ⊙ / h , 1.23 - 1.17 + 0.14 × 10 14 M ⊙ / h for the unWISE samples at z ¯ ≈ 0.6 , 1.1, and 1.5, respectively. We find that all three samples are dominated by central galaxies, rather than satellites. Using our constrained HOD models, we infer the effective linear galaxy bias for each unWISE sample, and find that it does not evolve as steeply with redshift as found in previous perturbation-theory-based analyses of these galaxies. We discuss possible sources of systematic uncertainty in our results, the most significant of which is the uncertainty on the galaxy redshift distribution. Our HOD constraints provide a detailed, quantitative understanding of how the unWISE galaxies populate the underlying dark matter halo distribution. These constraints will have a direct impact on future studies employing the unWISE galaxies as a cosmological and astrophysical probe, including measurements of ionized gas thermodynamics and dark matter profiles via Sunyaev-Zel’dovich and lensing cross-correlations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Intergalactic magnetic field studies by means of γ -ray emission from GRB 190114C

The presence of delayed GeV emission after a strong transient, such as a gamma-ray burst (GRB), in the very-high energy (VHE) E > 100 GeV band can be the signature of a nonzero magnetic field in the intergalactic medium. Here we used a synchrotron self-Compton multiwavelength model to infer an analytical description of the intrinsic VHE spectrum (corrected for absorption by the extragalactic background light) of GRB 190114C to predict the light curves and spectral energy distributions of the delayed emission with Monte Carlo simulations for different intergalactic magnetic field (IGMF) configurations (strengths B = 8 × 10 -21 G, 10 -20 G, 3 × 10 -20 G and correlation length $\lambda$ > 1 Mpc), and compared them with the Fermi Large Area Telescope (Fermi LAT) limits computed for several exposure times. We found that the Fermi LAT is not sensitive enough to constrain any IGMF strengths using GRB 190114C.

79 ASTRONOMY AND ASTROPHYSICS↗