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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A General Materials Data Science Framework for Quantitative 2D Analysis of Particle Growth from Image Sequences

Abstract Phase transformations are a challenging problem in materials science, which lead to changes in properties and may impact performance of material systems in various applications. We introduce a general framework for the analysis of particle growth kinetics by utilizing concepts from machine learning and graph theory. As a model system, we use image sequences of atomic force microscopy showing the crystallization of an amorphous fluoroelastomer film. To identify crystalline particles in an amorphous matrix and track the temporal evolution of the particle dispersion, we have developed quantitative methods of 2D analysis. 700 image sequences were analyzed using a neural network architecture, achieving 0.97 pixel-wise classification accuracy as a measure of the correctly classified pixels. The growth kinetics of isolated and impinged particles were tracked throughout time using these image sequences. The relationship between image sequences and spatiotemporal graph representations was explored to identify the proximity of crystallites from each other. The framework enables the analysis of all image sequences without the requirement of sampling for specific particles or timesteps for various materials systems.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Influence of Li co-doping on structural property of sol-gel derived terbium doped zinc oxide nanoparticles

Highlights: • Rietveld refine XRD pattern confirmed that all samples exhibit ZnO structure. • XANES analysis at Tb L3-edge ascertained the presence of Tb{sup +3}state. • XANES analysis at Zn K-edge confirmed the Zn{sup +2}state. • EXAFS study authenticated the decrease in disorder due to Li co-doping. - Abstract: The presence of lattice distortion and defects in a composition leads towards a significant change in the optical, magnetic and electrical properties of the host material. In the present work, we have investigated the role of Li concentrations (0.25–1.0%) on structural property of Tb (1%) doped zinc oxide nanoparticles. A small concentration of terbium (1%) has been used to get minimum lattice distortion in the original structure of ZnO. To reduce the possible large lattice deformation on doping of Tb ion we have co-doped the material with Li. The crystalline nature of the sample has been confirmed by the XRD, Raman and FTIR studies of the material. The variation of bond length and lattice disorder in ZnO lattice due to the substitution of Tb and Li were studied from the EXAFS analysis at Zn K edge and Tb L3 edge. Interestingly, the study also shows that disorder decreases due to co-doping of Li in the considered system. Moreover, the oxidation states of all the elements present in the prepared samples were ascertained the XANES analysis. The morphology and particle size are calculated by TEM characterization. This work mainly emphasises on the structural property of synthesized compositions using these analyses. The study will also be helpful in exploring the change in optical, magnetic and electrical properties of the doped ZnO nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Emergence of Unstable Focused Flow Induced by Variable‐Density Flows in Vertical Fractures

Abstract Fluids with different densities often coexist in subsurface fractures and lead to variable‐density flows that control subsurface processes such as seawater intrusion, contaminant transport, and geologic carbon sequestration. In nature, fractures have dip angles relative to gravity, and density effects are maximized in vertical fractures. However, most studies on flow and transport through fractures are often limited to horizontal fractures. Here, we study the mixing and transport of variable‐density fluids in vertical fractures by combining three‐dimensional (3D) pore‐scale numerical simulations and visual laboratory experiments. Two miscible fluids with different densities are injected through two inlets at the bottom of a fracture and exit from an outlet at the top of the fracture. Laboratory experiments show the emergence of an unstable focused flow path, which we term a “runlet.” We successfully reproduce the unstable runlet using 3D numerical simulations and elucidate the underlying mechanisms triggering the runlet. Dimensionless number analysis shows that the runlet instability arises due to the Rayleigh‐Taylor instability (RTI), and flow topology analysis is applied to identify 3D vortices that are caused by the RTI. Even under laminar flow regimes, fluid inertia is shown to control the runlet instability by affecting the size and movement of vortices. Finally, we confirm the emergence of a runlet in rough‐walled fractures. Since a runlet dramatically affects fluid distribution, residence time, and mixing, the findings in this study have direct implications for the management of groundwater resources and subsurface applications.

Environmental Sciences & Ecology↗
DOE OSTI2024

Observed Increase in Tropical Cyclone‐Induced Sea Surface Cooling Near the U.S. Southeast Coast

Abstract Tropical cyclones (TCs) induce substantial upper‐ocean mixing and upwelling, leading to sea surface cooling. In this study, we explore changes in TC‐induced cold wakes along the United States (U.S.) Southeast and Gulf Coasts during 1982–2020. Our study shows a significant increase in TC‐induced sea surface temperature (SST) cooling of about 0.20°C near the U.S. Southeast Coast over this period. However, for the U.S. Gulf Coast, trends in TC‐induced SST cooling are insignificant. Analysis of the large‐scale oceanic environments indicate that the increasing TC‐induced cold wakes near the Southeast coast have been predominantly caused by the cooling of subsurface waters in that region. This upper‐ocean change is attributed to the enhancement of surface pressure gradient across land‐sea boundary and the associated increase in alongshore winds over there. Further analysis with climate models reveals the important role of anthropogenic forcings in driving these changes in the atmospheric circulation response along the U.S. Southeast Coast.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Widespread 2013-2020 decreases and reduction challenges of organic aerosol in China

Abstract High concentrations of organic aerosol (OA) occur in Asian countries, leading to great health burdens. Clean air actions have resulted in significant emission reductions of air pollutants in China. However, long-term nation-wide trends in OA and their causes remain unknown. Here, we present both observational and model evidence demonstrating widespread decreases with a greater reduction in primary OA than in secondary OA (SOA) in China during the period of 2013 to 2020. Most of the decline is attributed to reduced residential fuel burning while the interannual variability in SOA may have been driven by meteorological variations. We find contrasting effects of reducing NO x and SO 2 on SOA production which may have led to slight overall increases in SOA. Our findings highlight the importance of clean energy replacements in multiple sectors on achieving air-quality targets because of high OA precursor emissions and fluctuating chemical and meteorological conditions.

Chen, Qi (ORCID:0000000335598914)↗
DOE OSTI2022

Flavour-selective localization in interacting lattice fermions

Abstract A large repulsion between particles in a quantum system can lead to their localization, an effect responsible for the Mott insulator phases in strongly correlated materials. In a system with multiple orbitals, an orbital-selective Mott insulator can form, where electrons in some orbitals are predicted to localize while others remain itinerant. Here we demonstrate a more general version of this phenomenon by observing flavour-selective localization in an atom-based quantum simulator. Our experiment realizes Fermi–Hubbard models with an SU(3) symmetry that can be broken using a tunable coupling between flavours. We observe an enhancement of the localization associated with a selective Mott transition and the emergence of flavour-dependent correlations. Our realization of flavour-selective Mott physics demonstrates the potential of cold atoms to simulate interacting multicomponent materials such as superconductors and topological insulators.

Physics↗
DOE OSTI2024

Chemical screening by time-resolved X-ray scattering to discover allosteric probes

Abstract Drug discovery relies on efficient identification of small-molecule leads and their interactions with macromolecular targets. However, understanding how chemotypes impact mechanistically important conformational states often remains secondary among high-throughput discovery methods. Here, we present a conformational discovery pipeline integrating time-resolved, high-throughput small-angle X-ray scattering (TR-HT-SAXS) and classic fragment screening applied to allosteric states of the mitochondrial import oxidoreductase apoptosis-inducing factor (AIF). By monitoring oxidized and X-ray-reduced AIF states, TR-HT-SAXS leverages structure and kinetics to generate a multidimensional screening dataset that identifies fragment chemotypes allosterically stimulating AIF dimerization. Fragment-induced dimerization rates, quantified with time-resolved SAXS similarity analysis ( k VR ), capture structure–activity relationships (SAR) across the top-ranked 4-aminoquinoline chemotype. Crystallized AIF–aminoquinoline complexes validate TR-SAXS-guided SAR, supporting this conformational chemotype for optimization. AIF–aminoquinoline structures and mutational analysis reveal active site F482 as an underappreciated allosteric stabilizer of AIF dimerization. This conformational discovery pipeline illustrates TR-HT-SAXS as an effective technology for targeting chemical leads to important macromolecular states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Electron energization dynamics in interaction of self-generated magnetic vortices in upstream of collisionless electron/ion shocks

Abstract Relativistic collisionless shocks are considered responsible for particle energization mechanisms leading to particle acceleration. While electron energization in shock front region of electron/ion collisionless shocks are the most studied, the mechanism of electron energization in interaction with self-generated magnetic vortices (MVs) in the upstream region is still unclear. We investigate electron energization mechanism in the upstream region of electron/ion relativistic collisionless shocks, using two dimensional particle-in-cell (PIC) simulations. We discuss mechanism of electron energization which takes place in the upstream region of the shock, where the counter stream particles interact with incoming flow. The energy gain of electrons happens during their interaction with evolving fields of self-generated magnetic vortices in this region. Three Fermi-like electron energization scenarios are discussed. Stochastic acceleration of electrons in interaction with fields of MV leads to anisotropic heating of fast electrons due to diffusion in the momentum space of electrons and, finally, synergetic effect of evolving fields of MVs leads to the formation of a power-law tail of supra-thermal particles.

Naseri, N.↗
DOE OSTI2021

Carrier density oscillation in the photoexcited semiconductor

Abstract The perturbation of a semiconductor from the thermodynamic equilibrium often leads to the display of non-linear dynamics and formation of spatiotemporal patterns due to the spontaneous generation of competing processes. Here, we use scanning ultrafast electron microscopy to show that the transport of hot carriers in the strongly excited semiconductor slows down by turning into an oscillatory process; this is evidenced by the expansions and contractions in the second moment of the distribution. We attribute such a response to the electric field generated by the spatial separation of photo-excited electrons and holes under intrinsic and photo-induced fields; we then introduce a transport model that mimics the experimental observation. Our finding provides a direct imaging evidence for the electrostatic oscillation of hot carriers in the highly excited semiconductor and offers new insights into their dynamics in space and time.

Physics↗
DOE OSTI2021

Gravitational effective field theory islands, low-spin dominance, and the four-graviton amplitude

Abstract We analyze constraints from perturbative unitarity and crossing on the leading contributions of higher-dimension operators to the four-graviton amplitude in four spacetime dimensions, including constraints that follow from distinct helicity configurations. We focus on the leading-order effect due to exchange by massive degrees of freedom which makes the amplitudes of interest infrared finite. In particular, we place a bound on the coefficient of the R 3 operator that corrects the graviton three-point amplitude in terms of the R 4 coefficient. To test the constraints we obtain nontrivial effective field-theory data by computing and taking the large-mass expansion of the one-loop minimally-coupled four-graviton amplitude with massive particles up to spin 2 circulating in the loop. Remarkably, we observe that the leading EFT coefficients obtained from both string and one-loop field-theory amplitudes lie in small islands. The shape and location of the islands can be derived from the dispersive representation for the Wilson coefficients using crossing and assuming that the lowest-spin spectral densities are the largest. Our analysis suggests that the Wilson coefficients of weakly-coupled gravitational physical theories are much more constrained than indicated by bounds arising from dispersive considerations of 2 → 2 scattering. The one-loop four-graviton amplitudes used to obtain the EFT data are computed using modern amplitude methods, including generalized unitarity, supersymmetric decompositions and the double copy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Cooperative actin filament nucleation by the Arp2/3 complex and formins maintains the homeostatic cortical array in Arabidopsis epidermal cells

Abstract Precise control over how and where actin filaments are created leads to the construction of unique cytoskeletal arrays within a common cytoplasm. Actin filament nucleators are key players in this activity and include the conserved actin-related protein 2/3 (Arp2/3) complex as well as a large family of formins. In some eukaryotic cells, these nucleators compete for a common pool of actin monomers and loss of one favors the activity of the other. To test whether this mechanism is conserved, we combined the ability to image single filament dynamics in the homeostatic cortical actin array of living Arabidopsis (Arabidopsis thaliana) epidermal cells with genetic and/or small molecule inhibitor approaches to stably or acutely disrupt nucleator activity. We found that Arp2/3 mutants or acute CK-666 treatment markedly reduced the frequency of side-branched nucleation events as well as overall actin filament abundance. We also confirmed that plant formins contribute to side-branched filament nucleation in vivo. Surprisingly, simultaneous inhibition of both classes of nucleator increased overall actin filament abundance and enhanced the frequency of de novo nucleation events by an unknown mechanism. Collectively, our findings suggest that multiple actin nucleation mechanisms cooperate to generate and maintain the homeostatic cortical array of plant epidermal cells.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Feasibility of Vascular Parameter Estimation for Assessing Hypertensive Pregnancy Disorders

Abstract Hypertensive pregnancy disorders (HPDs), such as pre-eclampsia, are leading sources of both maternal and fetal morbidity in pregnancy. Noninvasive imaging, such as ultrasound (US) and magnetic resonance imaging (MRI), is an important tool for predicting and monitoring these high risk pregnancies. While imaging can measure hemodynamic parameters, such as uterine artery pulsatility and resistivity indices (PI and RI), the interpretation of such metrics for disease assessment relies on ad hoc standards, which provide limited insight to the physical mechanisms underlying the emergence of hypertensive pregnancy disorders. To provide meaningful interpretation of measured hemodynamic data in patients, advances in computational fluid dynamics can be brought to bear. In this work, we develop a patient-specific computational framework that combines Bayesian inference with a reduced-order fluid dynamics model to infer parameters, such as vascular resistance, compliance, and vessel cross-sectional area, known to be related to the development of hypertension. The proposed framework enables the prediction of hemodynamic quantities of interest, such as pressure and velocity, directly from sparse and noisy MRI measurements. We illustrate the effectiveness of this approach in two systemic arterial network geometries: an aorta with branching carotid artery and a maternal pelvic arterial network. For both cases, the model can reconstruct the provided measurements and infer parameters of interest. In the case of the maternal pelvic arteries, the model can make a distinction between the pregnancies destined to develop hypertension and those that remain normotensive, expressed through the value range of the predicted absolute pressure.

Biophysics↗
DOE OSTI2022

Probing the axion–nucleon coupling with the next generation of axion helioscopes

Abstract A finite axion–nucleon coupling, nearly unavoidable for QCD axions, leads to the production of axions via the thermal excitation and subsequent de-excitation of $$^{57}$$ 57 Fe isotopes in the sun. We revise the solar bound on this flux adopting the up to date emission rate, and investigate the sensitivity of the proposed International Axion Observatory IAXO and its intermediate stage BabyIAXO to detect these axions. We compare different realistic experimental options and discuss the model dependence of the signal. Already BabyIAXO has sensitivity far beyond previous solar axion searches via the nucleon coupling and IAXO can improve on this by more than an order of magnitude.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

$$\alpha $$-event characterization and rejection in point-contact HPGe detectors

Abstract P-type point contact (PPC) HPGe detectors are a leading technology for rare event searches due to their excellent energy resolution, low thresholds, and multi-site event rejection capabilities. We have characterized a PPC detector’s response to $$\alpha $$ α particles incident on the sensitive passivated and p $$^+$$ + surfaces, a previously poorly-understood source of background. The detector studied is identical to those in the Majorana Demonstrator experiment, a search for neutrinoless double-beta decay ( $$0\nu \beta \beta $$ 0 ν β β ) in $$^{76}$$ 76 Ge. $$\alpha $$ α decays on most of the passivated surface exhibit significant energy loss due to charge trapping, with waveforms exhibiting a delayed charge recovery (DCR) signature caused by the slow collection of a fraction of the trapped charge. The DCR is found to be complementary to existing methods of $$\alpha $$ α identification, reliably identifying $$\alpha $$ α background events on the passivated surface of the detector. We demonstrate effective rejection of all surface $$\alpha $$ α events (to within statistical uncertainty) with a loss of only 0.2% of bulk events by combining the DCR discriminator with previously-used methods. The DCR discriminator has been used to reduce the background rate in the $$0\nu \beta \beta $$ 0 ν β β region of interest window by an order of magnitude in the Majorana Demonstrator and will be used in the upcoming LEGEND-200 experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Semi-supervised graph neural networks for pileup noise removal

Abstract The high instantaneous luminosity of the CERN Large Hadron Collider leads to multiple proton–proton interactions in the same or nearby bunch crossings (pileup). Advanced pileup mitigation algorithms are designed to remove this noise from pileup particles and improve the performance of crucial physics observables. This study implements a semi-supervised graph neural network for particle-level pileup noise removal, by identifying individual particles produced from pileup. The graph neural network is firstly trained on charged particles with known labels, which can be obtained from detector measurements on data or simulation, and then inferred on neutral particles for which such labels are missing. This semi-supervised approach does not depend on the neutral particle pileup label information from simulation, and thus allows us to perform training directly on experimental data. The performance of this approach is found to be consistently better than widely-used domain algorithms and comparable to the fully-supervised training using simulation truth information. The study serves as the first attempt at applying semi-supervised learning techniques to pileup mitigation, and opens up a new direction of fully data-driven machine learning pileup mitigation studies.

43 PARTICLE ACCELERATORS↗
NASA NTRS2022

Determining Research Priorities for Astronomy Using Machine Learning

We summarize the first exploratory investigation into whether Machine Learning (ML) techniques can augment science strategic planning. We find that an approach based on Latent Dirichlet Allocation (LDA) using abstracts drawn from high-impact astronomy journals may provide a leading indicator of future interest in a research topic. We show two topic metrics that correlate well with the high-priority research areas identified by the 2010 National Academies’ Astronomy and Astrophysics Decadal Survey. One metric is based on a sum of the fractional contribution to each topic by all scientific papers (“counts”) while the other is the Compound Annual Growth Rate (CAGR) of counts. These same metrics also show the same degree of correlation with the whitepapers submitted to the same Decadal Survey. Our results suggest that the Decadal Survey may under-emphasize fast growing research. A preliminary version of our work was presented by Thronson et al. (2021).

Astronomy↗