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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Influence of temporal variations in plasma conditions on the electric potential near self-organized dust chains

Self-organization of dust grains into stable filamentary dust structures (or “chains”) largely depends on dynamic interactions between individual charged dust grains and complex electric potential arising from the distribution of charges within a local plasma environment. Recent studies have shown that the positive column of the gas discharge plasma in the Plasmakristall-4 (PK-4) experiment at the International Space Station supports the presence of fast-moving ionization waves, which lead to variations of plasma parameters by up to an order of magnitude from the average background values. The highly variable environment resulting from ionization waves may have interesting implications for the dynamics and self-organization of dust particles, particularly concerning the formation and stability of dust chains. Here, we investigate the electric potential surrounding dust chains in the PK-4 experiment by employing a molecular dynamics model of the dust and ions with boundary conditions supplied by a particle-in-cell with Monte Carlo collision simulation of the ionization waves. The model is used to examine the effects of the plasma conditions within different regions of the ionization wave and compare the resulting dust structure to that obtained by employing the time-averaged plasma conditions. Here, the comparison between simulated dust chains and experimental data from the PK-4 experiment shows that the time-averaged plasma conditions do not accurately reproduce observed results for dust behavior, indicating that more careful treatment of plasma conditions in the presence of ionization waves is required. It is further shown that commonly used analytic forms of the electric potential do not accurately describe the electric potential near charged dust grains under these plasma conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Decoupling of greenness and gross primary productivity as aridity decreases

Ecosystem primary productivity is a key ecological process influencing many ecosystem services, including carbon storage. Thus, clarifying how primary productivity in terrestrial ecosystems responds to climatic variability can reveal key mechanisms that will drive future changes in the global carbon budget. Satellite products of canopy greenness are widely used as proxies for vegetation productivity to evaluate how ecosystems respond to climate variability. However, to what degree inter-annual variations in productivity are consistent with greenness and how this relationship varies spatially remains unclear. Here we investigated the strength of the coupling between inter-annual variations in leaf area index (LAI, a measure of greenness) and ecosystem gross primary productivity (GPP) derived from eddy covariance towers, i.e., the r2 of the LAI-GPP relationship. Overall, inter-annual GPP and LAI were highly coupled (i.e., high r2) in arid grasslands, but were fully decoupled in mesic evergreen broadleaf forests, indicating that this relationship varies strongly along aridity gradients. A possible mechanism of the spatial variation in the LAI-GPP relationship is that the tradeoff between ecosystem structure (LAI) and physiology (photosynthesis per unit leaf area) becomes stronger in more humid climates. Land models overestimated the r2 of LAI-GPP correlation for most ecosystem types and failed to capture the spatial pattern along aridity gradients. We conclude that relying on greenness products for evaluating inter-annual changes in vegetation productivity may bias assessments, especially in tropical rainforest ecosystems. Our findings may also reconcile observed disparities between responses in greenness and GPP during drought in Amazon forests.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Tracking seasonal variability in plant traits from spaceborne PRISMA and NEON AOP across forest types and ecoregions

Plant traits serve as critical indicators of how plants adapt to environmental changes and influence ecosystem functions. While airborne hyperspectral remote sensing effectively maps plant traits through detailed reflectance properties, it is limited by cost and scale, making large-scale and temporal studies challenging. The recently launched spaceborne hyperspectral imager, PRecursore IperSpettrale della Missione Applicativa (PRISMA), offers frequent, large scale and high-fidelity observations on a spatial resolution of 30 m and a revisit time of around 29 days, making it suitable for large-scale seasonal trait mapping. However, their potential remains largely unexplored. This study developed a multi-stage framework by leveraging the PRISMA spaceborne hyperspectral data and National Ecological Observatory Network (NEON) Airborne Observation Platform (AOP) hyperspectral data to investigate the seasonal dynamics of four key plant traits — chlorophyll content, carotenoid content, equivalent water thickness, and nitrogen content — across eleven NEON sites representing diverse forest types and ecoregions in the contiguous U.S. Our results demonstrated that PRISMA hyperspectral data can reliably track seasonal variability in plant traits, achieving overall R 2 values ranging from 0.78 to 0.88 and normalized root mean square error (NRMSE) values ranging from 5.4% to 8.4% for the four traits. Seasonal patterns revealed bell-shaped trajectories for chlorophyll and carotenoids, while equivalent water thickness decreased steadily across most sites, driven by structural changes during leaf maturation and senescence. Nitrogen content exhibited less pronounced seasonal variation but followed expected nutrient resorption patterns. Analysis of environmental drivers showed that seasonal variability is primarily controlled by solar radiation and day length in northern sites, vapor pressure in semi-arid regions, and temperature in mid-southeastern sites. Spatial variability, meanwhile, was primarily driven by soil properties, particularly during the peak growing season. However, the influence of soil variables slightly declines toward the end of the season at several sites, as climatic factors become more prominent. This study highlights the capability of PRISMA, and potentially other similar spaceborne hyperspectral data for large-scale, time-series plant trait mapping and provides valuable insights into the interactions between plant traits and environmental factors. In conclusion, these findings contribute to advancing our understanding of plant functional ecology and improving predictions of ecosystem responses to environmental changes.

Environmental drivers↗
DOE OSTI2020

Deep learning to generate in silico chemical property libraries and candidate molecules for small molecule identification in complex samples

Comprehensive and unambiguous identification of small molecules in complex samples will revolutionize our understanding of the role of metabolites in biological systems. Existing and emerging technologies have enabled measurement of chemical properties of molecules in complex mixtures and, in concert, are sensitive enough to resolve even stereoisomers. Despite these experimental advances, small molecule identification is inhibited by (i) chemical reference libraries (e.g. mass spectra, collision cross section, and other measurable property libraries) representing <1% of known molecules, limiting the number of possible identifications, and (ii) the lack of a method to generate candidate matches directly from experimental features (i.e. without a library). To this end, we developed a variational autoencoder (VAE) to learn a continuous numerical, or latent, representation of molecular structure to expand reference libraries for small molecule identification. We extended the VAE to include a chemical property decoder, trained as a multitask network, in order to shape the latent representation such that it assembles according to desired chemical properties. The approach is unique in its application to metabolomics and small molecule identification, with its focus on properties that can be obtained from experimental measurements (m/z, CCS) paired with its training paradigm, which involved a cascade of transfer learning iterations. First, molecular representation is learned from a large dataset of structures with m/z labels. Next, in silico property values are used to continue training, as experimental property data is limited. Finally, the network is further refined by being trained with the experimental data. This allows the network to learn as much as possible at each stage, enabling success with progressively smaller datasets without overfitting. Once trained, the network can be used to predict chemical properties directly from structure, as well as generate candidate structures with desired chemical properties. Our approach is orders of magnitude faster than first-principles simulation for CCS property prediction. Additionally, the ability to generate novel molecules along manifolds, defined by chemical property analogues, positions DarkChem as highly useful in a number of application areas, including metabolomics and small molecule identification, drug discovery and design, chemical forensics, and beyond.

Colby, Sean M.↗
DOE OSTI2021

Assessing the Effects of Temperature and Oxygen Vacancy on Band Gap Renormalization in LaCrO 3-δ : First-Principles and Experimental Corroboration [plus supplemental information]

Understanding the temperature dependence of functional properties in high-temperature gas sensors is vital for applications in combustion environments. Temperature effect on the electronic structure due to electron-phonon coupling is a key property of interest as this influences other responses of sensors. In this work, we assess the impact of temperature on band gap renormalization of pristine and oxygen-vacant LaCrO 3–δ perovskite employing Allen–Heine–Cardona theory with first-principles simulations and corroborate with experimental observation. Antiferromagnetic cubic LaCrO 3 shows a direct ground-state band gap of 2.62 eV that is reduced by over 1 eV due to the presence of oxygen vacancies, which can form endothermically. We find excellent agreement in temperature-dependent band gap shift in LaCrO 3 between theory and an in-house experiment, proving that the theory can adequately predict renormalization on the band gap in a magnetic system. Band gaps in cubic LaCrO 3–δ are found to monotonically narrow by 1.13 eV in pristine and by around 0.62 eV in oxygen-vacant structures as temperature increases from 0 to 1500 K. The predicted band gap variations are rationalized using an analytical model. Furthermore, the experimental zero-temperature band gaps are extracted from the model fits that can provide useful insights on the simulated band gaps.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

6 nm super-resolution optical transmission and scattering spectroscopic imaging of carbon nanotubes using a nanometer-scale white light source

Abstract Optical transmission and scattering spectroscopic microscopy at the visible and adjacent wavelengths denote one of the most informative and inclusive characterization methods in material research. Unfortunately, restricted by the diffraction limit of light, it cannot resolve the nanoscale variation in light absorption and scattering, diagnostics of the local inhomogeneity in material structure and properties. Moreover, a large quantity of nanomaterials has anisotropic optical properties that are appealing yet hard to characterize through conventional optical methods. There is an increasing demand to extend the optical hyperspectral imaging into the nanometer length scale. In this work, we report a super-resolution hyperspectral imaging technique that uses a nanoscale white light source generated by superfocusing the light from a tungsten-halogen lamp to simultaneously obtain optical transmission and scattering spectroscopic images. A 6-nm spatial resolution in the visible to near-infrared wavelength regime (415–980 nm) is demonstrated on an individual single-walled carbon nanotube (SW-CNT). Both the longitudinal and transverse optical electronic transitions are measured, and the SW-CNT chiral indices can be identified. The band structure modulation in a SW-CNT through strain engineering is mapped.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Synthesis, structure, electronic and thermal properties of sphalerite CuZn 2 InS 4

Quaternary chalcogenides continue to be of interest due to the variety of physical properties they possess, as well as their potential for different applications of interest. Investigations on materials with the sphalerite crystal structure have only recently begun. In this study we have synthesized sulfur-based sphalerite quaternary chalcogenides, including off-stoichiometric compositions, and investigated the temperature-dependent electronic, thermal and structural properties of these materials. Insulating to semiconducting transport is observed with stoichiometric variation, and analyses of heat capacity and thermal expansion revealed lattice anharmonicity that contributes to the low thermal conductivity these materials possess. Finally, we include similar analyses for CuZn 2 InSe 4 and compare these sphalerite quaternary chalcogenides to that of zinc blende binaries in order to fully understand the origin of the low thermal conductivity these quaternary chalcogenides possess.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Shear Stress Dependence of Force Networks in 3D Dense Suspensions

The geometric organization and force networks of 3D dense suspensions that exhibit both shear thinning and thickening have been examined as a function of varying strength of interparticle attractive interactions using lubrication flow discrete element simulations. Significant rearrangement of the geometric topology does not occur at either the local or global scale as these systems transition across the shear thinning and shear thickening regimes. In contrast massive rearrangements in the balance of attractive, lubrication, and contact forces are observed with interesting behavior of network growth and competition. In agreement with prior work, in shear thinning regions the attractive force is dominant, however as the shear thickening region is approached there is growth of lubrication forces. Lubrication forces oppose the attraction forces, but as viscosity continues to increase under increasing shear stress, the lubrication forces are dominated by contact forces that also resist attraction. Contact forces are the dominant interactions during shear thickening and are an order of magnitude higher than their values in the shear-thinning regime. At high attractive interaction strength, contact networks can form even under shear thinning conditions, however high shear stress is still required before contact networks become the driving mechanism of shear thickening. Analysis of the contact force network during shear thickening generally indicate a uniformly spreading network that rapidly forms across empty domains, however the growth patterns have structure that are significantly dependent upon the strength of interparticle interactions, indicating subtle variations in the mechanism of shear thickening.

Edens, Lance E.↗
DOE OSTI2024

Observation of Kolmogorov turbulence due to multiscale vortices in dusty plasma experiments

We report the experimental observation of fully developed Kolmogorov turbulence originating from self-excited vortex flows in a three-dimensional (3D) dust cloud. The characteristic -5/3 scaling of 3D Kolmogorov turbulence is consistent in both the spatial and temporal energy spectra within a statistical variation of experimental data. Additionally, the 2/3 scaling in the second-order structure function further supports the presence of Kolmogorov turbulence. We also identified a slight deviation in the tails of the probability distribution functions for velocity gradients, a reflection of intermittency. The experiment showed the formation of a dust cloud in the diffused plasma region away from the electrodes. The dust rotation was observed in multiple experimental campaigns under different discharge conditions at different spatial locations and background plasma environments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Mono- and bilayer smectic liquid crystal ordering in dense solutions of “gapped” DNA duplexes

Significance Liquid crystalline behavior of DNA has been studied for decades, yet only recently has one of the most fundamental liquid crystal phases—the smectic phase in which rod-like objects assemble into stacks of fluid layers—been demonstrated in this system. Here, we describe distinct bilayer and monolayer smectic phases in solutions of “gapped” DNA (GDNA), consisting of two DNA duplexes connected by a single strand. The smectic order is amphotropic (sensitive to temperature as well as concentration), and the layer structure is stable against significant perturbations of the GDNA construct (e.g., “gap” length variation and asymmetry in duplex lengths). The temperature sensitivity may provide a means to compare end-to-end interaction strengths between DNA duplexes at biologically relevant concentrations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Essential amino acids in the Plant-Conserved and Class-Specific Regions of cellulose synthases

The Plant-Conserved Region (P-CR) and the Class-Specific Region (CSR) are two plant-unique sequences in the catalytic core of cellulose synthases (CESAs) for which specific functions have not been established. Here, we used site-directed mutagenesis to replace amino acids and motifs within these sequences predicted to be essential for assembly and function of CESAs. We developed an in vivo method to determine the ability of mutated CesA1 transgenes to complement an Arabidopsis (Arabidopsis thaliana) temperature-sensitive root-swelling1 (rsw1) mutant. Replacement of a Cys residue in the CSR, which blocks dimerization in vitro, rendered the AtCesA1 transgene unable to complement the rsw1 mutation. Examination of the CSR sequences from 33 diverse angiosperm species showed domains of high-sequence conservation in a class-specific manner but with variation in the degrees of disorder, indicating a nonredundant role of the CSR structures in different CESA isoform classes. The Cys residue essential for dimerization was not always located in domains of intrinsic disorder. Expression of AtCesA1 transgene constructs, in which Pro417 and Arg453 were substituted for Ala or Lys in the coiled-coil of the P-CR, were also unable to complement the rsw1 mutation. Despite an expected role for Arg457 in trimerization of CESA proteins, AtCesA1 transgenes with Arg457Ala mutations were able to fully restore the wild-type phenotype in rsw1. Our data support that Cys662 within the CSR and Pro417 and Arg453 within the P-CR of Arabidopsis CESA1 are essential residues for functional synthase complex formation, but our data do not support a specific role for Arg457 in trimerization in native CESA complexes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Resistivity phase diagram of cuprates revisited

The phase diagram of the cuprate superconductors has posed a formidable scientific challenge for more than three decades. This challenge is perhaps best exemplified by the need to understand the normal-state charge transport as the system evolves from Mott insulator to Fermi- liquid metal with doping. Here in this paper, we report a detailed analysis of the temperature (T) and doping (p) dependence of the planar resistivity of simple-tetragonal HgBa 2 CuO 4+δ (Hg1201), the single- CuO 2 -layer cuprate with the highest optimal superconducting transition temperature, T c . The data allow us to test a recently proposed phenomenological model for the cuprate phase diagram that combines a universal transport scattering rate with spatially inhomogeneous (de)localization of the Mott-localized hole. We find that the model provides a good description of the data. We then extend this analysis to prior transport results for several other cuprates, including the Hall number in the overdoped part of the phase diagram, and find little compound-to-compound variation in (de)localization gap scale. The results point to a robust, universal structural origin of the inherent gap inhomogeneity that is unrelated to doping-related disorder. They are inconsistent with the notion that much of the phase diagram is controlled by a quantum critical point, and instead indicate that the unusual electronic properties exhibited by the cuprates are fundamentally related to strong nonlinearities associated with subtle nanoscale inhomogeneity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Supporting Information for manuscript: “A latitudinal gradient in S/G lignin monomer ratio driven by laccase in natural poplar variants”

Lignin composition plays a crucial role in plant structural integrity and environmental adaptation. However, the genetic and molecular mechanisms underlying natural variation in lignin composition remain poorly understood. This study investigates the syringyl-to-guaiacyl (S/G) lignin monomer ratio across a natural population of Populus trichocarpa spanning a latitudinal gradient along the Northwest coast of North America. By integrating biochemical, genomic, and geographic analysis, we identify key gene variants associated with S/G ratio differences. These datasets provide valuable insights into the evolutionary and functional genomics of lignin composition and serve as a resource for developing poplar variants optimized for forestry and bioenergy applications.

Poplar, lignin composition, laccases, latitude, ad↗
DOE OSTI2023

Simulating vibro-acoustic damping of bubbles in fluids

Bubbles in fluids are common occurrence due to impurities, thermal or flow variations. They are sometimes considered detrimental to the flow and more importantly surrounding structural integrity. On the other hand, bubbles were used positively towards damping vibrations in fluid filled structures [1] and as barriers or curtains in the removal of plastic waste from water ways [2] and also in noise attenuation from offshore windfarms [3]. In the latter two cases, engineers hypothesized these curtains help marine life from sound pollution from surrounding machinery and ships. In this paper the authors discuss two cases to study the effect of bubble size and bubble density. In the first experiment a curtain of air bubbles was introduced in a water body and sound transmission loss (STL) through this curtain was studied. In a second experiment, a stainless-steel tank filled with liquid mercury is infused with helium bubbles and the vibration levels were monitored.

Kappagantu, Ramana↗
DOE OSTI2023

Neutron Characterization of 3D Printed Gas Turbine Alloy With Internal Cooling Structure

The objective of this research work is to investigate the residual strains induced by the presence of a exit hole and internal hollow geometry present in a 3D printed IN718 similar to that seen in a gas turbine blade. The specimens were manufactured with an internal hollow structure that ended with an exit hole, and fabricated by direct metal laser sintering additive manufacturing technique. Using this technique, metal powder was melted by a laser source and rapidly cooled to form the part layer by layer. Rapid heating and cooling generate large thermal gradients and residual stresses in the 3D printed material. To be aligned with industry standards, specimens were heat-treated to relieve most of the residual stresses as well as to investigate whether IN718 still preserved a nonhomogeneous stress state after the thermal treatment. Roughness and microstructure analysis was performed to understand the heat-treated sample properties. To investigate the volumetric residual strain, the neutron diffraction technique was used with a definite neutron wavelength. Bragg’s law was used to determine lattice spacing. Interplanar lattice spacing and stress-free state lattice spacings were measured to calculate the strains. Residual strains were measured in the x and y direction to understand the impact of the presence of a exit hole and internal hollow geometry. The results of volumetric residual strain in the x and y directions showed no significant variations in the distribution of the strain due to the presence of a hollow structure as well as the exit hole. Overall, no significant stress concentration was observed in the heat treated sample. Sample geometry, instrumentation for neutron diffraction, and material properties are discussed in detail in this paper.

Raju, Nandhini↗
DOE OSTI2021

Surface distribution of heterogenous clathrin assemblies in resorbing osteoclasts

Highlights: • Platinum replica microscopy has revealed new structural data on the clathrins on the ventralmembrane of osteoclasts. • Various clathrins were visualized, suggesting that they followed variations in the surface topography of the apatite. • Most of the flat clathrins may participate in the adhesive and mechnosensory functions in co-operation with podosomes. • The present findings in osteoclast biology reveal potential novel drug targets or treatment regimens. Osteoclasts seeded on either glass coverslips or apatite pellets have at least two morphologically distinct substrate adhesion sites: actin-based adhesion structures including podosome belts and sealing zones, and adjacent clathrin sheets. Clathrin-coated structures are exclusively localized at the podosome belts and sealing zone, in both of which the plasma membrane forms a tight attachment to the substrate surface. When cultured on apatite osteoclasts can degrade the apatite leading to the formation of resorption lacunae. The sealing zone divides the ventral membrane into different domains, outside and inside of the sealing zones. The former facing the smooth-surfaced intact apatite contains relatively solitary or networks of larger flat clathrin structures; and the latter, facing the rough-surfaced degraded apatite in the resorption lacunae contain clathrin in various shapes and sizes. Clathrin assemblies on the membrane domain facing not only a resorption lacuna, or trails but also intact apatite indeed were observed to be heterogeneous in size and intensity, suggesting that they appeared to follow variations in the surface topography of the apatite surface. These results provide a detailed insight into the flat clathrin sheets that have been suggested to be the sites of adhesion and mechanosensing in co-operation with podosomes.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Analysis of the Aeroelastic Dynamics of Lightweight Flexible Variations of the SNL-NRT Turbine

Current trends show that wind turbines are growing in size to meet a rising demand for renewable energy generation, and their upscaled rotors have inherently become more flexible to maintain a proportionally lighter design. This is because larger rotors must be less massive relative to their diameter to minimize the levelized cost of energy (LCOE), which means that blades that are notably less stiff are produced as a result. These structural changes to blades are often reflected in their compromised aeroelastic stability and amplified deformation during operation, which has the potential to decrease the blade’s expected lifetime and the performance of the machine overall. Variations in blade flexibility are also known to influence vortex-wake structures downstream of the turbine, causing patterns of velocity deficit to evolve in ways that affect the performance of other turbines in the farm. This research explores how the increased flexibility of modern utility-scale wind turbine blades influences rotor aeroelastic behavior and interactions with farm flow. High-fidelity simulations of Sandia National Laboratories’ (SNL) National Rotor Testbed (NRT) wind turbine are presented. Flexible variations of the NRT baseline blade are simulated in a variety of realistic operational conditions typically expected at the SNL’s SWiFT facility in Lubbock, Texas. Solutions are then compared to investigate how specific changes to the structural properties of the NRT baseline blade’s design and construction can influence its aeroelastic response at the rotor and the evolution of the turbine’s wake.

Farrell, Alayna (ORCID:000000023555720X)↗
DOE OSTI2022

Magnetoelastic properties of multiferroic hexagonal ErMnO 3

Here, the strength and dynamics of magnetoelastic coupling through the paramagnetic (PM) – antiferromagnetic (AFM) – ferrimagnetic (FIM) transitions in multiferroic hexagonal ErMnO 3 have been investigated by Resonant Ultrasound Spectroscopy. Elastic stiffening by up to 2% below the PM – AFM transition at 80 K arises from biquadratic coupling between strain and the magnetic order parameter with relaxation times longer than ~10 -6 s for the response of spins to changes in strain. In contrast with YMnO 3 , the PM – AFM transition in ErMnO 3 is accompanied by a peak in acoustic loss immediately below the Néel point which is interpreted in terms of strain relaxation accompanying ordering of spins of Er 3+ at 4b sites. Changes in the magnetic ordering scheme at the AFM – FIM transition near 3 K are accompanied by elastic softening of ~0.03 %. During poling of the low temperature ferrimagnetic structure round magnetic hysteresis loops, small changes in elastic stiffness which arise due to the contribution of piezomagnetic and/or piezoelectric moduli are detected. Contributions of piezoelectric moduli to acoustic resonance frequencies also permit changes in the configuration of ferroelectric domains to be detected in response both to cycling through this transition and to application of a magnetic field. A peak in acoustic loss in the vicinity of 250 K is attributed to strain-mediated pinning/freezing of some aspect of the domain microstructure with an activation energy of ~0.25–0.3 eV. A return to the original elastic properties on heating to temperatures above ~250 K is interpreted in terms of backswitching of domains to the configuration they had at the start. These observations confirm the existence of subtle variations in magnetoelastic coupling behaviour relating to both the magnetic order parameters and magnetic domain structures.

36 MATERIALS SCIENCE↗