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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Data and scripts associated with “Moisture content modulates DOM thermodynamic regulation of oxygen consumption in drying streambed sediments”

This data package is associated with the publication “Moisture content modulates DOM thermodynamic regulation of oxygen consumption in drying streambed sediments” published in Scientific Reports (Garayburu-Caruso et al., 2026). The package contains processed data products and scripts used to quantify how drying and re-inundation of riverbed sediments influence dissolved organic matter (DOM) thermodynamic properties and their relationship with sediment oxygen (O₂) consumption across 33 stream sites in the contiguous United States. The data package contains DOM thermodynamic metrics (e.g., Gibbs free energy of carbon oxidation and thermodynamic efficiency), and O₂ consumption along with watershed-scale climate and land-cover metrics used as explanatory variables in the analyses. Underlying unprocessed and processed ultrahigh-resolution mass spectrometry data, oxygen consumption rates from laboratory moisture-manipulation experiments, within-sample environmental properties, sediment moisture content and contextual field measurements are archived separately at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/2428003 (Laan et al., 2024) and https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1923689 (Forbes et al.,2023). A preliminary version of this data package was published in February 2026 at the time of manuscript submission. It was updated in June 2026, at the time of manuscript acceptance, to include the finalized data and additional metadata (readme, data dictionary, and file level metadata). For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. At the top level, the data package is organized into five main folders: (1) Data, (2)Figures, (3) Map, (4) GAM_Reulsts, and (5) src. The Data folder contains analysis-ready tabular files with oxygen consumption rates, DOM thermodynamic properties by site and treatment, site-level environmental variables, watershed-scale metrics, and other derived variables referenced in the manuscript. The Figures folder contains static image files associated with the main text and supplemental figures, while the Map folder includes spatial data and map-layer files used to create the sampling-location map. The GAM results folder contains the results for each of the general additive model (GAM).The src folder contains R scripts used to perform data processing, statistical analyses (including clustering, generalized additive models, and threshold analysis), and figure generation. This data package is associated with a GitHub repository found at https://github.com/WHONDRS-Hub/ECA_DOM_Thermodynamics.

Dissolved organic matter↗
DOE OSTI2018

Mapping Structure-Property Relationships of Organic Color Centers

Organic color centers are an emergent class of quantum emitters that hold vast potential for applications in bioimaging, chemical sensing, and quantum information processing. Here in this work, we show that these synthetic color centers follow interesting structure-property relationships through comparative spectral studies of 14 purified single-walled carbon nanotube chiralities and 30 different functional groups that vary in electron-withdrawing capability and bonding configurations. The defect emission is tunable by as much as 400 meV in the near-infrared as a function of host structure and the chemical nature of the color centers. However, the emission energy is nearly free from chiral angle and family patterns of the nanotube host (although this strongly depends on the nanotube diameter), suggesting that a trapped exciton at the organic color centers to some degree electronically decouples from the one-dimensional semiconductor host. In conclusion, our findings provide important insights for designing and controlling this new family of synthetic color centers.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Semicoherent symmetric quantum processes: Theory and applications

Discovering pragmatic and efficient approaches to construct ε-approximations of quantum operators such as real (imaginary) time-evolution propagators in terms of the basic quantum operations (gates) is challenging. Prior ε-approximations are invaluable, in that they enable the compilation of classical and quantum algorithm modeling of, e.g., dynamical and thermodynamic quantum properties. In parallel, symmetries are powerful tools concisely describing the fundamental laws of nature; the symmetric underpinnings of physical laws have consistently provided profound insights and substantially increased predictive power. In this work, we consider the interplay between the ε-approximate processes and the exact symmetries in a semicoherent context—where measurements occur at each logical clock cycle. Here we draw inspiration from Pascual Jordan's groundbreaking formulation of nonassociative, but commutative, symmetric algebraic form. Our symmetrized formalism is then applied in various domains such as quantum random walks, real-time evolutions, variational algorithm ansatzes, and efficient entanglement verification. Our work paves the way for a deeper understanding and greater appreciation of how symmetries can be used to control quantum dynamics in settings where coherence is a limited resource.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

EVOLUTION AND DISTRIBUTION OF MAGNETIC FIELDS FROM ACTIVE GALACTIC NUCLEI IN GALAXY CLUSTERS. I. THE EFFECT OF INJECTION ENERGY AND REDSHIFT

We present a series of cosmological magnetohydrodynamic simulations that simultaneously follow the formation of a galaxy cluster and evolution of magnetic fields ejected by an active galactic nucleus (AGN). Specifically, we investigate the influence of both the epoch of the AGN (z {approx} 3-0.5) and the AGN energy ({approx}3 x 10{sup 57}- 2 x 10{sup 60} erg) on the final magnetic field distribution in a relatively massive cluster (M{sub vir} {approx} 10{sup 15} M{sub sun}). We find that as long as the AGN magnetic fields are ejected before the major mergers in the cluster formation history, magnetic fields can be transported throughout the cluster and can be further amplified by the intracluster medium (ICM) turbulence caused by hierarchical mergers during the cluster formation process. The total magnetic energy in the cluster can reach {approx}10{sup 61} erg, with micro Gauss fields distributed over the {approx}Mpc scale. The amplification of the total magnetic energy by the ICM turbulence can be significant, up to {approx}1000 times in some cases. Therefore even weak magnetic fields from AGNs can be used to magnetize the cluster to the observed level. The final magnetic energy in the ICM is determined by the ICM turbulent energy, with a weak dependence on the AGN injection energy. We discuss the properties of magnetic fields throughout the cluster and the synthetic Faraday rotation measure maps they produce. We also show that high spatial resolution over most of the magnetic regions of the cluster is very important to capture the small-scale dynamo process and maintain the magnetic field structure in our simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Quench dynamics of the topological quantum phase transition in the Wen-plaquette model

We study the quench dynamics of the topological quantum phase transition in the two-dimensional transverse Wen-plaquette model, which has a phase transition from a Z{sub 2} topologically ordered to a spin-polarized state. By mapping the Wen-plaquette model onto a one-dimensional quantum Ising model, we calculate the expectation value of the plaquette operator F{sub i} during a slowly quenching process from a topologically ordered state. A logarithmic scaling law of quench dynamics near the quantum phase transition is found, which is analogous to the well-known static critical behavior of the specific heat in the one-dimensional quantum Ising model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Purification and Fractionation of Lignin via ALPHA: Liquid–Liquid Equilibrium for the Lignin–Acetic Acid–Water System

In order to effectively practice the Aqueous Lignin Purification with Hot Agents (ALPHA) process for lignin purification and fractionation, the temperatures and feed compositions where regions of liquid–liquid equilibrium (LLE) exist must be identified. To this end, pseudo-ternary phase diagrams for the lignin–acetic acid–water system were mapped out at 45-95 °C and various solvent: feed lignin mass ratios (S:F). For a given temperature, the accompanying SL (solid–liquid), SLL (solid–liquid–liquid), and one-phase regions were also located. For the first time, ALPHA using acetic acid (AcOH)–water solutions was applied to a lignin recovered via the commercial LignoBoost process. Additionally to determining tie-line compositions for the two regions of LLE that were discovered, the distribution of lignin and key impurities (the latter can negatively impact lignin performance for materials applications) between the two liquid phases was also measured. As a representative example, lignin isolated in the lignin-rich phase was reduced 7x in metals and 4x in polysaccharides by using ALPHA with a feed solvent composition of 50-55% AcOH and an S:F of 6:1, with said lignin being obtained at a yield of 50-70% of the feed lignin and having a molecular weight triple that of the feed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

WE-AB-204-06: Pseudo-CT Generation Using Undersampled, Single-Acquisition UTE-MDixon and Direct-Mapping Artificial Neural Networks for MR-Based Attenuation Correction and Radiation Therapy Planning

Purpose: Emerging technologies such as dedicated PET/MRI and MR-therapy systems require robust and clinically practical methods for determining photon attenuation. Herein, we propose using novel MR acquisition methods and processing for the generation of pseudo-CTs. Methods: A single acquisition, 190-second UTE-mDixon sequence with 25% (angular) sampling density and 3D radial readout was performed on nine volunteers. Three water-filled tubes were placed in the FOV for trajectory-delay correction. The MR data were reconstructed to generate three primitive images acquired at TEs of 0.1, 1.5 and 2.8 ms. In addition, three derived MR images were generated, i.e. two-point Dixon water/fat separation and R2* (1/T2*) map. Furthermore, two spatial features, i.e. local binary pattern (S-1) and relative spatial coordinates (S-2), were incorporated. A direct-mapping operator was generated using Artificial Neural Networks (ANNs) for transforming the MR features to a pseudo-CT. CT images served as the training data and, using a leave-one-out method, for performance evaluation using mean prediction deviation (MPD), mean absolute prediction deviation (MAPD), and correlation coefficient (R). Results: The errors between measured CT and pseudo-CT declined dramatically when the spatial features, i.e. S-1 and S-2, were included. The MPD, MAPD, and R were, respectively, 5±57 HU, 141±41 HU, and 0.815±0.066 for results generated by the ANN trained without the spatial features and were 32±26 HU, 115±18 HU, and 0.869±0.035 with the spatial features. The estimation errors of the pseudo-CT were smaller when both the S-1 and S-2 were used together than when either the S-1 or the S-2 was used. Pseudo-CT generation (256×256×256 voxels) by ANN took < 0.5 s using a computer having an Intel i7 3.4GHz CPU and 16 GB RAM. Conclusion: The proposed direct-mapping ANN approach is a technically accurate, clinically practical method for pseudo-CT generation and can potentially help improve the accuracy of MR-AC and MR-RTP applications. Please note that the project was completed with partial funding from the Ohio Department of Development grant TECH 11-063 and a sponsored research agreement with Philips Healthcare that is managed by Case Western Reserve University. As noted in the affiliations, some of the authors are Philips employees.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-C-213-03: Custom 3D Printed Boluses for Radiation Therapy

Purpose: To develop a clinical workflow and to commission the process of creating custom 3d printed boluses for radiation therapy. Methods: We designed a workflow to create custom boluses using a commercial 3D printer. Contours of several patients were deformably mapped to phantoms where the test bolus contours were designed. Treatment plans were created on the phantoms following our institutional planning guideline. The DICOM file of the bolus contours were then converted to stereoLithography (stl) file for the 3d printer. The boluses were printed on a commercial 3D printer using polylactic acid (PLA) material. Custom printing parameters were optimized in order to meet the requirement of bolus composition. The workflow was tested on multiple anatomical sites such as skull, nose and chest wall. The size of boluses varies from 6×9cm2 to 12×25cm2. To commission the process, basic CT and dose properties of the printing materials were measured in photon and electron beams and compared against water and soft superflab bolus. Phantoms were then scanned to confirm the placement of custom boluses. Finally dose distributions with rescanned CTs were compared with those computer-generated boluses. Results: The relative electron density(1.08±0.006) of the printed boluses resemble those of liquid tap water(1.04±0.004). The dosimetric properties resemble those of liquid tap water(1.04±0.004). The dosimetric properties were measured at dmax with an ion chamber in electron and photon open beams. Compared with solid water and soft bolus, the output difference was within 1% for the 3D printer material. The printed boluses fit well to the phantom surfaces on CT scans. The dose distribution and DVH based on the printed boluses match well with those based on TPS generated boluses. Conclusion: 3d printing provides a cost effective and convenient solution for patient-specific boluses in radiation therapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Gaussian process-based surrogate modeling framework for process planning in laser powder-bed fusion additive manufacturing of 316L stainless steel

Here, Laser Powder-Bed Fusion (L-PBF) metal-based additive manufacturing (AM) is complex and not fully understood. Successful processing for one material, might not necessarily apply to a different material. This paper describes a workflow process that aims at creating a material data sheet standard that describes regimes where the process can be expected to be robust. The procedure consists of building a Gaussian process-based surrogate model of the L-PBF process that predicts melt pool depth in single-track experiments given a laser power, scan speed, and laser beam size combination. The predictions are then mapped onto a power versus scan speed diagram delimiting the conduction from the keyhole melting controlled regimes. This statistical framework is shown to be robust even for cases where experimental training data might be suboptimal in quality, if appropriate physics-based filters are applied. Additionally, it is demonstrated that a high-fidelity simulation model of L-PBF can equally be successfully used for building a surrogate model, which is beneficial since simulations are getting more efficient and are more practical to study the response of different materials, than to re-tool an AM machine for new material powder.

316L stainless steel↗
DOE OSTI2025

Impact of Salinity on Ground Ice Distribution Across an Arctic Coastal Polygonal Tundra Environment

The heterogeneous distribution of ground ice in the Arctic is a key driver of uneven ground subsidence as permafrost thaws, significantly impacting infrastructure and surface/subsurface hydrology. These topographic and hydrological changes contribute to major uncertainties in energy and carbon fluxes and storage in a warming Arctic. This study aims to improve our understanding of the controls on ground ice and organic matter distribution within the top 3 m of permafrost in coastal polygonal tundra near Utqiagvik, Alaska. To this end, we apply a neural network approach to bulk density distributions derived from nondestructive X-ray tomography of soil cores, trained with laboratory analyses, to improve the resolution and spatial coverage of estimates of dry bulk density, ice content, and organic matter content. In addition, we use capacitively coupled geophysical imaging to map soil electrical conductivity and salinity variations. The results show that sedimentary deposits from ocean transgressions, along with subsequent ice wedge polygon geomorphological processes, jointly influence the distribution of ice content at various scales. The impact of the latter decreases with depth, whereas the influence of salinity and sedimentary history increases. Although the controls on the distribution of soil organic matter content (g/cm 3 ) remain unclear, the pronounced heterogeneity in bulk density strongly influences its calculation from laboratory mass fraction measurements (g/g). From a methodological perspective, the interdependencies among soil components and the need for increased data coverage underscore the value of high-resolution density measurements, such as using X-ray tomography. Overall, this study emphasizes the importance of considering salinity constraints on ice content distribution in coastal permafrost regions. The results are expected to aid in the development of data products and process representations in geomorphological and ecosystem models.

Dafflon, Baptiste [Lawrence Berkeley National Labo↗
DOE OSTI2018

Applications of KPFM-Based Approaches for Surface Potential and Electrochemical Measurements in Liquid

Kelvin probe force microscopy (KPFM) has been widely used to map nanoscale surface potentials of materials in ambient and ultra-high vacuum environments. However, to study and ultimately understand charge-related processes, e.g., in biological systems or to further improve energy storage devices such as electrochemical batteries, nanoscale surface potential measurements in liquid environments are required. Here, we describe the various implementations of KPFM-based approaches for measuring surface potentials in liquid environments. We provide practical guidelines for surface potential measurements and describe what other information can be obtained. Finally, we discuss potential applications and limitations of existing approaches and present possible solutions for the successful implementation of liquid KPFM.

Collins, Liam F.↗
DOE OSTI2018

Comparative Genomics of Nitrogen Cycling Pathways in Bacteria and Archaea

Despite the explosion of metagenomic sequencing data, using -omics data to indicate environmental biogeochemistry remains a challenge. One or a few genes (referred to as marker genes) in a metabolic pathway of interest in meta-omic data are normally used to represent the prevalence of a biogeochemical reaction. This method often fails to demonstrate a consistent relationship between gene abundance and an ecosystem process rate. One reason this may occur is if a marker gene is not a good representative of a complete pathway. Here, we map the presence of 11 nitrogen (N)-cycling pathways in over 6000 complete bacterial and archaeal genomes using the Integrated Microbial Genomes database. Incomplete N-cycling pathways occurred in 39% of surveyed archaeal and bacterial species revealing a weakness in current marker-gene analyses. Moreover, we found that most organisms have limited ability to utilize inorganic N in multiple oxidation states. This suggests that inter-organism exchange of inorganic N compounds is common, highlighting the importance of both community composition and spatial structure in determining the extent of recycling versus loss in an ecosystem.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Cell Wall Composition and Underlying QTL in an F1 Pseudo-Testcross Population of Switchgrass

Natural genetic variation for reduced recalcitrance can be used to improve switchgrass for biofuel production. A full-sib switchgrass mapping population developed by crossing a lowland genotype, AP13, and upland genotype, VS16, was evaluated at three locations (Ardmore and Burneyville, OK and Watkinsville, GA). Biomass harvested after senescence in 2009 and 2010 was evaluated at the National Renewable Energy Laboratory (NREL) for sugar release using enzymatic hydrolysis and for lignin content and syringyl/guaiacyl lignin monomer (S/G) ratio using pyrolysis molecular beam mass spectrometry (py-MBMS). Glucose and xylose release ranged from 120 to 313 and 123 to 263 mg g -1 , respectively, while lignin content ranged from 19 to 27% of the dry biomass. Statistically significant differences were observed among the genotypes and the environments for the cell wall composition traits. Regression analysis showed that a unit increase in lignin content reduced total sugar release by an average of 10 mg g -1 . Quantitative trait loci (QTL) analysis detected 9 genomic regions underlying sugar release and 14 for lignin content. The phenotypic variation explained by the individual QTL identified for sugar release ranged from 4.5 to 9.4 and for lignin content from 3.8 to 11.1%. Mapping of the QTL regions to the switchgrass genome sequence (v1.1) found that some of the QTL colocalized with genes involved in carbohydrate processing and metabolism, plant development, defense systems, and transcription factors. Finally, the markers associated with QTL can be implemented in breeding programs to efficiently develop improved switchgrass cultivars for biofuel production.

09 BIOMASS FUELS↗
DOE OSTI2017

Strain fields induced by kink band propagation in Cu-Nb nanolaminate composites

Kink band formation is a common deformation mode for anisotropic materials and has been observed in polymer matrix fiber composites, single crystals, geological formations, and recently in metallic nanolaminates. While numerous studies have been devoted to kink band formation, the majority do not consider the often rapid and unstable process of kink band propagation. In this paper, we take advantage of stable kink band formation in Cu-Nb nanolaminates to quantitatively map the local strain fields surrounding a propagating kink band during uniaxial compression. Kink bands are observed to initiate at specimen edges, propagate across the sample during a rising global stress, and induce extended strain fields in the non-kinked material surrounding the propagating kink band. Finally, it is proposed that these stress/strain fields significantly contribute to the total energy dissipated during kinking and, analogous to crack tip stress/strain fields, influence the direction of kink propagation and therefore the kink band inclination angle.

36 MATERIALS SCIENCE↗
DOE OSTI2015

XEDAR activates the non-canonical NF-κB pathway

Members of the tumor necrosis factor receptor (TNFR) superfamily are involved in a number of physiological and pathological responses by activating a wide variety of intracellular signaling pathways. The X-linked ectodermal dysplasia receptor (XEDAR; also known as EDA2R or TNFRSF27) is a member of the TNFR superfamily that is highly expressed in ectodermal derivatives during embryonic development and binds to ectodysplasin-A2 (EDA-A2), a member of the TNF family that is encoded by the anhidrotic ectodermal dysplasia (EDA) gene. Although XEDAR was first described in the year 2000, its function and molecular mechanism of action is still largely unclear. XEDAR has been reported to activate canonical nuclear factor κB (NF-κB) signaling and mitogen-activated protein (MAP) kinases. Here we report that XEDAR is also able to trigger the non-canonical NF-κB pathway, characterized by the processing of p100 (NF-κB2) into p52, followed by nuclear translocation of p52 and RelB. We provide evidence that XEDAR-induced p100 processing relies on the binding of XEDAR to TRAF3 and TRAF6, and requires the kinase activity of NIK and IKKα. We also show that XEDAR stimulation results in NIK accumulation and that p100 processing is negatively regulated by TRAF3, cIAP1 and A20. - Highlights: • XEDAR activates the non-canonical NF-κB pathway. • XEDAR-induced processing of p100 depends on XEDAR interaction with TRAF3 and TRAF6. • XEDAR-induced processing of p100 depends on NIK and IKKα activity. • Overexpression of XEDAR leads to NIK accumulation. • XEDAR-induced processing of p100 is negatively regulated by TRAF3 cIAP1 and A20.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Measurement and prediction of through-section residual stresses in the manufacturing sequence of bearing components

Through-section residual stresses in an asymmetric, thin-walled tapered bearing component were non-destructively studied via neutron diffraction after soft machining, heat treatment and hard turning. Two-dimensional area maps revealed non-uniform distributions of stress fields in both the thinnest and thickest sections of the component, indicating that the entire processing sequence plays a vital role — not only in distortion, but in the final stress state as well. Here, a computational model was developed to further understand the extent of the distortion induced in bearing components as a result of process variables in the manufacturing sequence.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Next-generation large-scale binary protein interaction network for Drosophila melanogaster

Generating reference maps of interactome networks illuminates genetic studies by providing a protein-centric approach to finding new components of existing pathways, complexes, and processes. We apply state-of-the-art methods to identify binary protein-protein interactions (PPIs) for Drosophila melanogaster. Four all-by-all yeast two-hybrid (Y2H) screens of > 10,000 Drosophila proteins result in the ‘FlyBi’ dataset of 8723 PPIs among 2939 proteins. Testing subsets of data from FlyBi and previous PPI studies using an orthogonal assay allows for normalization of data quality; subsequent integration of FlyBi and previous data results in an expanded binary Drosophila reference interaction network, DroRI, comprising 17,232 interactions among 6511 proteins. We use FlyBi data to generate an autophagy network, then validate in vivo using autophagy-related assays. The deformed wings (dwg) gene encodes a protein that is both a regulator and a target of autophagy. Altogether, these resources provide a foundation for building new hypotheses regarding protein networks and function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

A co-precipitation preparation, crystal structure and photoluminescent properties of Er5%:Gd{sub 2}O{sub 3} nanorods

An inexpensive preparation method is being reported for obtaining erbium doped gadolinium oxide (Er5%:Gd{sub 2}O{sub 3}) nanoscale rods. The elongated nanoscale systems, as-formed through a co-precipitation process, are characterized by using X-ray powder diffraction (XRD) patterns, scanning electron microscopy (SEM) with energy dispersive X-ray (EDX) mapping, Ultra Violet-visible (UV-vis.) absorption spectroscopy and photoluminescence (PL) spectroscopy. In addition, the Williamson–Hall (W–H) plot is also performed to distinguish the effect of crystalline size-induced broadening and strain-induced broadening at full-width at half-maximum (FWHM) of the XRD profile. The XRD patterns of as-formed and calcined products show that the phase confirmation. As revealed from the SEM micrographs, the morphology of the products show that the rod-like nanoparticles. The EDX micrographs show that the presence of elements in our samples. The band gap values in calcined samples are found to be in the range of 3.569 eV. Upon 230 nm excitation on calcined samples, three broad emission peaks are observed from PL studies. The possible mechanism for the formation of Er5%:Gd{sub 2}O{sub 3} nanorods is briefly discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗