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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Evaluation of Monin‐Obukhov Similarity Theory Wind Profiles in Convective Storm Environments and Cold Pools at the ARM Southern Great Plains Atmospheric Observatory

Monin-Obukhov similarity theory (MOST) is widely used in numerical weather prediction to model surface fluxes of momentum, heat, and water vapor. However, MOST is based on assumptions of steady state and horizontally homogeneous turbulence that can lead to prediction errors in and around convective storms. To understand the nature of these errors, we used wind and eddy covariance flux measurements from the Atmospheric Radiation Measurement Southern Great Plains Atmospheric Observatory to evaluate MOST wind profiles in fair-weather and convective storm environments, specifically those of mesoscale convective systems and ordinary thunderstorms. MOST wind profiles agreed well with observations in fair-weather cases, while in convective storm cases the theory systematically overestimated shear in cold pools after gust front passage. Surface layer stability was found to be important in assessing MOST within convective storm environments. The overestimation of wind shear in cold pools suggests the role of non-local fluxes in transferring momentum downward. We discuss reasons for differences and agreement with past studies, and conclude with recommendations to improve prediction of surface winds and fluxes in convective storm simulations.

58 GEOSCIENCES↗
DOE OSTI2021

Self-similar mesocrystals form via interface-driven nucleation and assembly

Crystallization by particle attachment (CPA) is a frequently occurring mechanism of colloidal crystallization that results in hierarchical morphologies. CPA has been exploited to create nanomaterials with unusual properties and is implicated in the development of complex mineral textures. Oriented attachment–a form of CPA in which particles align along specific crystallographic directions–produces mesocrystals that diffract as single crystals do, although the constituent particles are still discernible. The conventional view of CPA is that nucleation provides a supply of particles that aggregate via Brownian motion biased by attractive interparticle potentials. However, mesocrystals often exhibit regular morphologies and uniform sizes. Although many crystal systems form mesocrystals and individual attachment events have been directly visualized10, how random attachment events lead to well defined, self-similar morphologies remains unknown, as does the role of surface-bound ligands, which are ubiquitous in nanoparticle systems. Attempts to understand mesocrystal formation are further complicated in many systems by the presence of precursor nanoparticles with a phase distinct from that of the bulk. Some studies propose that such particles convert before attachment, whereas others attribute conversion to the attachment process itself and yet others conclude that transformation occurs after the mesocrystals exceed a characteristic size. Here we investigate mesocrystal formation by iron oxides, which are important colloidal phases in natural environments and classic examples of systems forming ubiquitous precursor phases and undergoing CPA accompanied by phase transformations. Combining in situ transmission electron microscopy (TEM) at 80 degrees Celsius with ‘freeze-and-look’ TEM, we tracked the formation of haematite (Hm) mesocrystals in the presence of oxalate (Ox), which is abundant in soils, where iron oxides are common. In this work, we find that isolated Hm particles rarely appear, but once formed, interfacial gradients at the Ox-covered surfaces drive Hm particles to nucleate repeatedly about two nanometres from the surfaces, to which they then attach, thereby generating mesocrystals. Comparison to natural and synthetic systems suggests that interface-driven pathways are widespread.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Sequence similarity between SARS-CoV-2 nucleocapsid and multiple sclerosis-associated proteins provides insight into viral neuropathogenesis following infection

Abstract The novel coronavirus SARS-CoV-2 continues to cause death and disease throughout the world, underscoring the necessity of understanding the virus and host immune response. From the start of the pandemic, a prominent pattern of central nervous system (CNS) pathologies, including demyelination, has emerged, suggesting an underlying mechanism of viral mimicry to CNS proteins. We hypothesized that immunodominant epitopes of SARS-CoV-2 share homology with proteins associated with multiple sclerosis (MS). Using PEPMatch, a newly developed bioinformatics package which predicts peptide similarity within specific amino acid mismatching parameters consistent with published MHC binding capacity, we discovered that nucleocapsid protein shares significant overlap with 22 MS-associated proteins, including myelin proteolipid protein (PLP). Further computational evaluation demonstrated that this overlap may have critical implications for T cell responses in MS patients and is likely unique to SARS-CoV-2 among the major human coronaviruses. Our findings substantiate the hypothesis of viral molecular mimicry in the pathogenesis of MS and warrant further experimental exploration.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Physics-informed neural network with transfer learning (TL-PINN) based on domain similarity measure for prediction of nuclear reactor transients

Nuclear reactor safety and efficiency can be enhanced through the development of accurate and fast methods for prediction of reactor transient (RT) states. Physics informed neural networks (PINNs) leverage deep learning methods to provide an alternative approach to RT modeling. Applications of PINNs in monitoring of RTs for operator support requires near real-time model performance. However, as with all machine learning models, development of a PINN involves time-consuming model training. Here, we show that a transfer learning (TL-PINN) approach achieves significant performance gain, as measured by reduction of the number of iterations for model training. Using point kinetic equations (PKEs) model with six neutron precursor groups, constructed with experimental parameters of the Purdue University Reactor One (PUR-1) research reactor, we generated different RTs with experimentally relevant range of variables. The RTs were characterized using Hausdorff and Fréchet distance. We have demonstrated that pre-training TL-PINN on one RT results in up to two orders of magnitude acceleration in prediction of a different RT. The mean error for conventional PINN and TL-PINN models prediction of neutron densities is smaller than 1%. We have developed a correlation between TL-PINN performance acceleration and similarity measure of RTs, which can be used as a guide for application of TL-PINNs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Spin-free formulation of the multireference driven similarity renormalization group: A benchmark study of first-row diatomic molecules and spin-crossover energetics

We report a spin-free formulation of the multireference (MR) driven similarity renormalization group (DSRG) based on the ensemble normal ordering of Mukherjee and Kutzelnigg (1997). This ensemble averages over all microstates of a given total spin quantum number, and therefore, it is invariant with respect to SU(2) transformations. As such, all equations may be reformulated in terms of spin-free quantities and they closely resemble those of spin-adapted closed-shell coupled cluster (CC) theory. The current implementation is used to assess the accuracy of various truncated MR-DSRG methods (perturbation theory up to third order and iterative methods with single and double excitations) in computing the constants of 33 first-row diatomic molecules. The accuracy trends for these first-row diatomics are consistent with our previous benchmark on a small subset of closed-shell diatomic molecules. We then present the first MR-DSRG application on transition-metal complexes by computing the spin splittings of the [Fe(H 2 O) 6 ] 2+ and [Fe(NH 3 ) 6 ] 2+ molecules. A focal point analysis (FPA) shows that third-order perturbative corrections are essential to achieve reasonably converged energetics. The FPA based on the linearized MR-DSRG theory with one- and two-body operators and up to a quintuple- ζ basis set predicts the spin splittings of [Fe(H 2 O) 6 ] 2+ and [Fe(NH 3 ) 6 ] 2+ to be –35.7 and –17.1 kcal mol –1 , respectively, showing good agreement with the results of local CC theory with singles, doubles, and perturbative triples.

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

Simultaneous reproduction of experimental profiles, fluxes, transport coefficients, and turbulence characteristics via nonlinear gyrokinetic profile predictions in a DIII-D ITER similar shape plasma

Experimental conditions obtained on the DIII-D tokamak in the ITER Similar Shape (ISS) have been compared extensively with nonlinear gyrokinetic simulation using the CGYRO code [Candy et al., J. Comput. Phys. 324, 73–93 (2016)] with comparisons spanning ion and electron heat fluxes, electron and impurity particle transport, and turbulent fluctuation levels and characteristics. Bayesian optimization techniques [Rodriguez-Fernandez et al., Nucl. Fusion 62(7), 076036 (2022)], combined with nonlinear gyrokinetics, have been used to obtain simultaneously Qi, Qe, and Γe flux-matched profiles that are found to be in good agreement with experimental profile measurements. Synthetic diagnostics were used to compare measured beam emission spectroscopy and correlation electron cyclotron emission turbulent fluctuations with nonlinear simulation. Although some disagreements exist, nonlinear simulations are found to be in generally good agreement with measured fluctuation levels, spectral shapes, and measured radial trends in low-k δne/ne and δTe/Te. Low (Li and C) and mid-Z (Ca) impurity transport was also compared with these flux-matched simulations. Fully stripped, low-Z impurities are well reproduced by the gyrokinetic modeling while clear disagreement exists in comparisons with mid-Z impurities. Nonlinear gyrokinetic investigation into the Z dependence of impurity transport in the ISS conditions is also performed, demonstrating clear trends of impurity diffusion with impurity Z (both D∝Z and D∝1/Z) that vary with the radial location studied. These trends are shown to result from the local dominance of ion temperature gradient or ∇n driven trapped electron mode turbulence and may contribute to the disagreement between simulation and experiment in mid-Z impurity transport. The results of this work represent one of the most complete validation studies of the gyrokinetic model performed to date and provide an example of new capabilities for predicting performance in future fusion devices.

Physics↗
DOE OSTI2024

Self-similar Reynolds-averaged mechanical–scalar turbulence models for reshocked Richtmyer–Meshkov instability-induced mixing in the small Atwood number limit

Analytical self-similar solutions to two-, three-, and four-equation Reynolds-averaged mechanical–scalar turbulence models describing incompressible turbulent Richtmyer–Meshkov instability-induced mixing in planar geometry derived in the small Atwood number limit are extended to construct models for reshocked Richtmyer–Meshkov mixing. In this study, the models are based on the turbulent kinetic energy K and its dissipation rate ε, together with the scalar variance S and its dissipation rate χ modeled either differentially or algebraically. The three- and four-equation models allow for a simultaneous description of mechanical and scalar mixing, i.e., mixing layer growth and molecular mixing. Mixing layer growth parameters and other physical observables were obtained explicitly as functions of the model coefficients and were used to calibrate the model coefficients. Here, the solutions for the singly shocked Richtmyer–Meshkov case for the mixing layer width and the turbulent fields are used to construct piecewise-continuous generalizations of these quantities for times after reshock. For generality, the post-reshock mixing layer width is not assumed to grow with the same power-law as the pre-reshock width, and an impulsive approximation applied to Rayleigh–Taylor instability growth is used to establish the expression for the post-reshock width. A four-equation model is then used to illustrate the spatiotemporal behavior of the mean and turbulent fields and late-time turbulent equation budgets across the mixing layer. The reference solutions derived here can provide systematic calibrations and better understanding of mechanical–scalar turbulence models and their predictions for reshocked Richtmyer–Meshkov instability-induced turbulent mixing in the very large Reynolds number limit.

42 ENGINEERING↗
DOE OSTI2025

Cyclically symmetric radially self-similar phononic pseudocrystal isolator for broadband, ultrasonic vibration bandstop filtering

A 2D phononic pseudocrystal isolator exhibiting cyclic symmetry and radial self-similarity is measured and demonstrated to block a wide range of ultrasonic vibration. Measurements of longitudinal and shear wave blocking effects are made and compared with computational results. The use of the bandgap edge ratio is recommended for quantifying suppression in very-wide-bandgap materials. In conclusion, the upper-to-lower suppression edge frequency ratios of 3–4 are remarkably large for shear waves and even larger for longitudinal waves upper-to-lower suppression ratio (13 at 5 dB), such that 92.5% of frequencies in that range experience ≥ 5 dB of suppression.

Acoustic metamaterial↗
DOE OSTI2023

Similar photosynthetic but different yield responses of C 3 and C 4 crops to elevated O 3

The deleterious effects of ozone (O 3 ) pollution on crop physiology, yield, and productivity are widely acknowledged. It has also been assumed that C 4 crops with a carbon concentrating mechanism and greater water use efficiency are less sensitive to O 3 pollution than C 3 crops. This assumption has not been widely tested. Therefore, we compiled 46 journal articles and unpublished datasets that reported leaf photosynthetic and biochemical traits, plant biomass, and yield in five C 3 crops (chickpea, rice, snap bean, soybean, and wheat) and four C 4 crops (sorghum, maize, Miscanthus × giganteus , and switchgrass) grown under ambient and elevated O 3 concentration ([O 3 ]) in the field at free-air O 3 concentration enrichment (O 3 -FACE) facilities over the past 20 y. When normalized by O 3 exposure, C 3 and C 4 crops showed a similar response of leaf photosynthesis, but the reduction in chlorophyll content, fluorescence, and yield was greater in C 3 crops compared with C 4 crops. Additionally, inbred and hybrid lines of rice and maize showed different sensitivities to O 3 exposure. This study quantitatively demonstrates that C 4 crops respond less to elevated [O 3 ] than C 3 crops. This understanding could help maintain cropland productivity in an increasingly polluted atmosphere.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Exploration of RMP ELM control on ITER-similar shape (ISS) in KSTAR

Recent control advances at KSTAR enabled us to not only establish but also to sustain the ITER-similar shape (ISS) in a stationary manner, matching the ITER-like dimensionless shape parameters in lower single null configuration with vastly contrasting upper/lower triangularities. Here, the kinetic parameters of the ISS are different from the typical KSTAR configurations seen in ELM-RMP suppression experiments. We experimentally demonstrate the ISS-compatible resonant magnetic perturbation (RMP) control in KSTAR for the first time, using the n = 2, +90 degrees phasing RMP.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Non-dimensional confinement scaling in similar negative triangularity plasmas on the DIII-D and TCV tokamaks

Similarity experiments were performed on the DIII-D and TCV tokamaks to explore the scaling of energy confinement in negative triangularity (NT) plasmas using non-dimensional variables. Near up-down symmetric plasmas with large top-bottom averaged NT were created in a lower single null configuration, with the shape of the separatrix being closely matched between the two devices. The normalized energy confinement is found to weakly improve at increasing collisionality and, between the two devices, shows a machine size scaling behavior between Bohm and gyro-Bohm. Engineering scaling on a large DIII-D dataset is in agreement with the non-dimensional experiment.

confinement scaling↗
DOE OSTI2026

Meta-analysis of North American Arctic and boreal aboveground biomass datasets: assessing accuracy, dynamics, and similarities

The North American arctic and boreal regions (ABRs) are rapidly warming and experiencing intensifying disturbances. Accurately quantifying aboveground biomass (AGB) is critical for understanding the impacts of these changes on the carbon cycle and for designing climate change mitigation strategies. Several AGB maps have been developed for the North American ABRs, including recent contributions from National Aeronautics and Space Administration’s Arctic-Boreal Vulnerability Experiment (ABoVE) campaign. However, these maps differ widely in training data, methodology, and resulting AGB density estimates. Presently, a comprehensive comparative evaluation is lacking, making it difficult for users to select datasets suited to their research or management needs. Here, in this study, we conducted a comparative analysis of nine AGB density datasets across North American ABRs, specifically for Alaska and Canada. We (1) summarized AGB by ecoregion and Canadian provinces, (2) evaluated their accuracy against field-based measurements, (3) analyzed spatial and temporal similarities among datasets, and (4) assessed their ability to capture disturbance (fire and harvest) impacts on AGB. We found substantial variation in regional and local AGB estimates across datasets, with overall accuracy ranging from R 2 = 0.25–0.62 and Bias% from −47.8% to 69.9% when validated against field plots. Despite these differences, most datasets have comparatively consistent spatial patterns in AGB (r > 0.8 for most cases). In contrast, agreement on the temporal patterns of AGB change is generally low. We found datasets with spatial resolutions ⩽300 m are capable of capturing disturbance impacts on AGB dynamics, though sensitivity varies across products. Our findings and dataset summary provide guidance for selecting appropriate AGB datasets for different applications within our study area. Our analysis also highlights the need to decrease map bias and increase capability to detect temporal change to decrease uncertainty of AGB datasets potentially by using training data which is representative of major plant functional types within the mapped area.

ABoVE↗
DOE OSTI2024

Identifying Sample Provenance From SEM/EDS Automated Particle Analysis via Few-Shot Learning Coupled With Similarity Graph Clustering

Automated particle analysis (APA) provides a vast amount of compositional data via energy-dispersive X-ray spectroscopy along with size and shape data via scanning electron microscopy for individual particles in a sample. In many instances, APA data are leveraged to support identification of the source of a sample based on the detection of particles of a specific composition. Often, the particles that provide context make up a minuscule portion of the sample. Additionally, the interpretation of complex samples can be difficult due to the diversity of compositions both in the mixture and within a particle. In this work, we demonstrate a method to compute and cluster similarity graphs that describe inter-particle relationships within a sample using a multi-modal few-shot learning neural network. Here, as a proof-of-concept, we show that samples known to have been exposed to gunshot residue can be distinguished from samples occasionally mistaken for gunshot residue. Our workflow builds upon standard APA techniques and data processing methods to unveil additional information in a readily interpretable and quantitatively comparable format.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

A low-luminosity core-collapse supernova very similar to SN 2005cs

ABSTRACT We present observations and analysis of PSN J17292918+7542390, a low-luminosity Type II-P supernova (LL SN IIP). The observed sample of such events is still low, and their nature is still under debate. Such SNe are similar to SN 2005cs, a well-observed LL Type II-P event, having low expansion velocities, and small ejected 56Ni mass. We have developed a robust and relatively fast Monte Carlo code that fits semi-analytic models to light curves of core-collapse SNe. This allows the estimation of the most important physical parameters, like the radius of the progenitor star, the mass of the ejected envelope, the mass of the radioactive nickel synthesized during the explosion, among others. PSN J17292918+7542390 has $R_0 = 91_{-70}^{+119} \times 10^{11} \, \text{cm}$, $M_\text{ej} = 9.89_{-1.00}^{+2.10} \, \mathrm{ M}_{\odot }$, $E_{\mbox{kin}} = 0.65_{-0.18}^{+0.19} \, \text{foe}$, and $v_{\mbox{exp}} = 3332_{-347}^{+216}$ km s−1, for its progenitor radius, ejecta mass, kinetic energy, and expansion velocity, respectively. The initial nickel mass of the PSN J17292918+7542390 turned out to be $1.55_{-0.70}^{+0.75} \times 10^{-3} \, \mathrm{M}_{\odot }$. The measured photospheric velocity at the earliest observed phase is 7000 km s−1. As far as we can tell based on the small population of observed LL SNe IIP, the determined values are typical for these events.

Jäger, Jr, Zoltán↗
DOE OSTI2021

Good and proper: self-similarity of N -body simulations with proper force softening

ABSTRACT Analysis of self-similarity in scale-free N-body simulations reveals the spatial and temporal scales for which statistics measured in cosmological simulations are converged to the physical continuum limit. We examine how the range of scales in which the two-point correlation function is converged depends on the force softening length and whether it is held constant in comoving or proper coordinates. We find that a proper softening that reaches roughly 1/30th of the inter-particle spacing by the end of the simulation resolves the same spatial and temporal scales as a comoving softening of the same length while using a third fewer time-steps, for a range of scale factors typical to Lambda cold dark matter (ΛCDM) simulations. We additionally infer an inherent resolution limit, set by the particle mass and scaling as a−1/2, beyond which reducing the softening does not improve the resolution. We postulate a mapping of these results with spectral index n = −2 to ΛCDM simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

The N-terminal domains of NLR immune receptors exhibit structural and functional similarities across divergent plant lineages

Nucleotide-binding domain and leucine-rich repeat (NLR) proteins are a prominent class of intracellular immune receptors in plants. However, our understanding of plant NLR structure and function is limited to the evolutionarily young flowering plant clade. Here, we describe an extended spectrum of NLR diversity across divergent plant lineages and demonstrate the structural and functional similarities of N-terminal domains that trigger immune responses. We show that the broadly distributed coiled-coil (CC) and toll/interleukin-1 receptor (TIR) domain families of nonflowering plants retain immune-related functions through translineage activation of cell death in the angiosperm Nicotiana benthamiana. We further examined a CC subfamily specific to nonflowering lineages and uncovered an essential N-terminal MAEPL motif that is functionally comparable with motifs in resistosome-forming CC-NLRs. Consistent with a conserved role in immunity, the ectopic activation of CC MAEPL in the nonflowering liverwort Marchantia polymorpha led to profound growth inhibition, defense gene activation, and signatures of cell death. Moreover, comparative transcriptomic analyses of CC MAEPL activity delineated a common CC-mediated immune program shared across evolutionarily divergent nonflowering and flowering plants. Collectively, our findings highlight the ancestral nature of NLR-mediated immunity during plant evolution that dates its origin to at least ~500 million years ago.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Computational schemes for the Magnus expansion of the in-medium similarity renormalization group

The in-medium similarity renormalization group (IMSRG) is a popular many-body method used for computations of nuclei. It solves the many-body Schrödinger equation through a continuous unitary transformation of the many-body Hamiltonian. The IMSRG transformation is typically truncated at the normal-ordered two-body level, the IMSRG(2), but recently several approaches have been developed to capture the effects of normal-ordered three-body operators, the IMSRG(3). In particular, a factorized approximation to the IMSRG(3) proposes to capture the leading effects of three-body operators at the same computational cost as the IMSRG(2) approximation. This approach often employs an approximate scheme for solving the IMSRG equations, the so-called hunter-gatherer scheme. In this work, I study the uncertainty associated with this scheme. I find that the hunter-gatherer scheme differs by up to 7MeV for ground-state energies and 0.5MeV for excitation energies from standard IMSRG(2) approaches. These differences are in some cases comparable to the expected size of IMSRG(3) corrections.

39 ≤ A ≤ 58↗
DOE OSTI2020

Similarities and differences between nickelate and cuprate films grown on a SrTiO 3 substrate

The recent discovery of superconductivity in Sr-doped NdNiO 2 films grown on SrTiO 3 started a novel field within unconventional superconductivity. Therefore, to understand the similarities and differences between nickelate and cuprate layers on the same SrTiO 3 substrate, here based on the density functional theory we have systematically investigated the structural, electronic, and magnetic properties of NdNiO 2 / SrTiO 3 and CaCuO 2 / SrTiO 3 systems. Our results revealed a strong lattice reconstruction in the case of NdNiO 2 / SrTiO 3 , resulting in a polar film, with the surface and interfacial NiO 2 layers presenting opposite displacements. To avoid the “polar catastrophe,” the NiO 2 surface to the vacuum reconstructs as well. However, for CaCuO 2 / SrTiO 3 , the distortions of those same two CuO 2 layers were in the same direction. In addition, we found this distortion to be approximately independent of the studied range of film thickness for the nickelate films. Furthermore, we also observed a two-dimensional electron gas at the interface between NdNiO 2 and SrTiO 3 , caused by the polar discontinuity, in agreement with recent literature. For NdNiO 2 / SrTiO 3 the two-dimensional electron gas extends over several layers, while for CaCuO 2 / SrTiO 3 this electronic rearrangement is very localized at the interface between CaCuO 2 and SrTiO 3 . The electronic reconstruction found at the interface involves a strong occupation of the Ti 3 d x y state. In both cases, there is a significant electronic charge transfer from the surface Ni or Cu layers to the Ti interface layer. The interfacial Ni and Cu layers are hole and electron doped, respectively. By introducing magnetism and electronic correlation, we observed that the d 3 z 2 - r 2 orbital of Ni becomes itinerant while the same orbital for Cu remains doubly occupied, establishing a clear two- vs one-orbital active framework for the description of these systems. Furthermore, we also observed a strong magnetic reconstruction at the NdNiO 2 surface to vacuum layer where magnetism is basically suppressed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗